data_25067 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25067 _Entry.PDB_ID 2MRA 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 25067 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.718 -0.598 25067 2 1 1 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.518 -0.357 25067 3 1 1 . 1 1 2 2 ALA CB C 2 19.392 19.392 20.578 -1.186 25067 4 1 1 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.491 -0.113 25067 5 1 1 . 1 1 4 4 LYS C C 4 176.563 176.563 176.551 0.012 25067 6 1 1 . 1 1 4 4 LYS CA C 4 56.384 56.384 56.892 -0.508 25067 7 1 1 . 1 1 4 4 LYS CB C 4 33.156 33.156 32.639 0.516 25067 8 1 1 . 1 1 5 5 GLU N N 5 122.511 122.511 118.246 4.265 25067 9 1 1 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.339 0.038 25067 10 1 1 . 1 1 5 5 GLU C C 5 176.099 176.099 176.935 -0.836 25067 11 1 1 . 1 1 5 5 GLU CA C 5 56.384 56.384 55.893 0.491 25067 12 1 1 . 1 1 5 5 GLU CB C 5 29.803 29.803 29.245 0.558 25067 13 1 1 . 1 1 5 5 GLU H H 5 8.601 8.601 7.831 0.770 25067 14 1 1 . 1 1 6 6 LEU N N 6 124.063 124.063 127.910 -3.847 25067 15 1 1 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.372 0.027 25067 16 1 1 . 1 1 6 6 LEU C C 6 175.082 175.082 176.317 -1.235 25067 17 1 1 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.358 0.367 25067 18 1 1 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.417 0.796 25067 19 1 1 . 1 1 6 6 LEU H H 6 8.409 8.409 8.962 -0.553 25067 20 1 1 . 1 1 7 7 ARG N N 7 122.244 122.244 126.238 -3.994 25067 21 1 1 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.285 0.160 25067 22 1 1 . 1 1 7 7 ARG C C 7 174.768 174.768 174.787 -0.019 25067 23 1 1 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.216 -0.526 25067 24 1 1 . 1 1 7 7 ARG CB C 7 32.090 32.090 31.053 1.037 25067 25 1 1 . 1 1 7 7 ARG H H 7 8.016 8.016 8.118 -0.102 25067 26 1 1 . 1 1 8 8 VAL N N 8 123.767 123.767 127.108 -3.341 25067 27 1 1 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.403 -0.111 25067 28 1 1 . 1 1 8 8 VAL C C 8 173.562 173.562 173.984 -0.422 25067 29 1 1 . 1 1 8 8 VAL CA C 8 60.842 60.842 61.459 -0.617 25067 30 1 1 . 1 1 8 8 VAL CB C 8 34.184 34.184 32.553 1.631 25067 31 1 1 . 1 1 8 8 VAL H H 8 8.659 8.659 8.154 0.505 25067 32 1 1 . 1 1 9 9 GLU N N 9 127.779 127.779 128.958 -1.179 25067 33 1 1 . 1 1 9 9 GLU HA H 9 4.890 4.890 5.024 -0.134 25067 34 1 1 . 1 1 9 9 GLU C C 9 175.446 175.446 175.343 0.103 25067 35 1 1 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.121 1.362 25067 36 1 1 . 1 1 9 9 GLU CB C 9 30.750 30.750 31.851 -1.101 25067 37 1 1 . 1 1 9 9 GLU H H 9 8.513 8.513 8.643 -0.130 25067 38 1 1 . 1 1 10 10 ILE N N 10 127.770 127.770 127.988 -0.218 25067 39 1 1 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.340 0.560 25067 40 1 1 . 1 1 10 10 ILE C C 10 174.981 174.981 175.578 -0.597 25067 41 1 1 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.706 -1.282 25067 42 1 1 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.769 0.876 25067 43 1 1 . 1 1 10 10 ILE H H 10 9.199 9.199 8.440 0.759 25067 44 1 1 . 1 1 11 11 LYS N N 11 125.866 125.866 128.613 -2.747 25067 45 1 1 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.184 0.254 25067 46 1 1 . 1 1 11 11 LYS C C 11 175.835 175.835 175.438 0.397 25067 47 1 1 . 1 1 11 11 LYS CA C 11 54.817 54.817 53.961 0.857 25067 48 1 1 . 1 1 11 11 LYS CB C 11 35.060 35.060 33.052 2.008 25067 49 1 1 . 1 1 11 11 LYS H H 11 9.257 9.257 9.013 0.244 25067 50 1 1 . 1 1 12 12 ILE N N 12 121.799 121.799 126.506 -4.707 25067 51 1 1 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.366 0.933 25067 52 1 1 . 1 1 12 12 ILE C C 12 175.132 175.132 174.283 0.849 25067 53 1 1 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.615 0.519 25067 54 1 1 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.853 1.813 25067 55 1 1 . 1 1 12 12 ILE H H 12 9.075 9.075 8.087 0.988 25067 56 1 1 . 1 1 13 13 ASP N N 13 129.263 129.263 127.959 1.304 25067 57 1 1 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.750 0.459 25067 58 1 1 . 1 1 13 13 ASP C C 13 175.898 175.898 175.342 0.556 25067 59 1 1 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.655 -0.924 25067 60 1 1 . 1 1 13 13 ASP CB C 13 43.750 43.750 41.973 1.777 25067 61 1 1 . 1 1 13 13 ASP H H 13 9.415 9.415 8.306 1.109 25067 62 1 1 . 1 1 14 14 CYS N N 14 122.767 122.767 125.325 -2.558 25067 63 1 1 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.655 0.277 25067 64 1 1 . 1 1 14 14 CYS C C 14 174.228 174.228 174.696 -0.468 25067 65 1 1 . 1 1 14 14 CYS CA C 14 58.269 58.269 57.774 0.495 25067 66 1 1 . 1 1 14 14 CYS CB C 14 28.447 28.447 25.992 2.455 25067 67 1 1 . 1 1 14 14 CYS H H 14 9.274 9.274 8.419 0.855 25067 68 1 1 . 1 1 15 15 GLY N N 15 110.606 110.606 111.680 -1.074 25067 69 1 1 . 1 1 15 15 GLY C C 15 173.986 173.986 173.600 0.386 25067 70 1 1 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.310 0.582 25067 71 1 1 . 1 1 15 15 GLY H H 15 8.919 8.919 8.178 0.741 25067 72 1 1 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.547 0.249 25067 73 1 1 . 1 1 16 16 ASN C C 16 175.157 175.157 174.986 0.171 25067 74 1 1 . 1 1 16 16 ASN CA C 16 53.181 53.181 53.506 -0.325 25067 75 1 1 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.575 0.380 25067 76 1 1 . 1 1 17 17 ASP N N 17 118.767 118.767 124.289 -5.522 25067 77 1 1 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.580 0.009 25067 78 1 1 . 1 1 17 17 ASP C C 17 175.493 175.493 176.710 -1.217 25067 79 1 1 . 1 1 17 17 ASP CA C 17 54.533 54.533 54.916 -0.383 25067 80 1 1 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.714 -0.722 25067 81 1 1 . 1 1 17 17 ASP H H 17 8.409 8.409 8.703 -0.294 25067 82 1 1 . 1 1 18 18 ASP N N 18 119.912 119.912 119.660 0.252 25067 83 1 1 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.605 0.001 25067 84 1 1 . 1 1 18 18 ASP C C 18 175.870 175.870 176.333 -0.463 25067 85 1 1 . 1 1 18 18 ASP CA C 18 54.242 54.242 54.833 -0.591 25067 86 1 1 . 1 1 18 18 ASP CB C 18 41.116 41.116 41.516 -0.400 25067 87 1 1 . 1 1 18 18 ASP H H 18 8.291 8.291 8.362 -0.071 25067 88 1 1 . 1 1 19 19 LYS N N 19 120.828 120.828 119.432 1.396 25067 89 1 1 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.376 0.063 25067 90 1 1 . 1 1 19 19 LYS C C 19 176.121 176.121 174.404 1.717 25067 91 1 1 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.622 0.024 25067 92 1 1 . 1 1 19 19 LYS CB C 19 33.015 33.015 34.555 -1.540 25067 93 1 1 . 1 1 19 19 LYS H H 19 8.140 8.140 7.722 0.418 25067 94 1 1 . 1 1 20 20 GLU N N 20 123.292 123.292 123.681 -0.389 25067 95 1 1 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.241 0.299 25067 96 1 1 . 1 1 20 20 GLU C C 20 176.413 176.413 176.407 0.006 25067 97 1 1 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.590 -0.072 25067 98 1 1 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.864 0.679 25067 99 1 1 . 1 1 20 20 GLU H H 20 8.645 8.645 8.577 0.068 25067 100 1 1 . 1 1 21 21 THR N N 21 119.747 119.747 115.735 4.012 25067 101 1 1 . 1 1 21 21 THR HA H 21 4.517 4.517 4.367 0.150 25067 102 1 1 . 1 1 21 21 THR C C 21 173.148 173.148 174.181 -1.033 25067 103 1 1 . 1 1 21 21 THR CA C 21 61.989 61.989 60.350 1.639 25067 104 1 1 . 1 1 21 21 THR CB C 21 70.485 70.485 68.983 1.502 25067 105 1 1 . 1 1 21 21 THR H H 21 8.589 8.589 8.173 0.416 25067 106 1 1 . 1 1 22 22 THR N N 22 119.539 119.539 118.262 1.277 25067 107 1 1 . 1 1 22 22 THR HA H 22 5.342 5.342 5.025 0.317 25067 108 1 1 . 1 1 22 22 THR C C 22 173.148 173.148 173.568 -0.420 25067 109 1 1 . 1 1 22 22 THR CA C 22 60.977 60.977 60.164 0.813 25067 110 1 1 . 1 1 22 22 THR CB C 22 70.490 70.490 69.898 0.592 25067 111 1 1 . 1 1 22 22 THR H H 22 8.191 8.191 8.012 0.179 25067 112 1 1 . 1 1 23 23 TYR N N 23 123.279 123.279 124.596 -1.317 25067 113 1 1 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.579 0.075 25067 114 1 1 . 1 1 23 23 TYR C C 23 173.400 173.400 174.881 -1.481 25067 115 1 1 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.086 -0.104 25067 116 1 1 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.425 1.893 25067 117 1 1 . 1 1 23 23 TYR H H 23 9.268 9.268 8.564 0.704 25067 118 1 1 . 1 1 24 24 ASP N N 24 121.837 121.837 125.962 -4.125 25067 119 1 1 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.071 -0.227 25067 120 1 1 . 1 1 24 24 ASP C C 24 173.400 173.400 175.345 -1.945 25067 121 1 1 . 1 1 24 24 ASP CA C 24 53.469 53.469 54.132 -0.663 25067 122 1 1 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.806 0.135 25067 123 1 1 . 1 1 24 24 ASP H H 24 8.484 8.484 8.602 -0.118 25067 124 1 1 . 1 1 25 25 LEU N N 25 126.268 126.268 119.739 6.529 25067 125 1 1 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.766 -0.666 25067 126 1 1 . 1 1 25 25 LEU C C 25 174.677 174.677 173.744 0.933 25067 127 1 1 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.611 -0.878 25067 128 1 1 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.883 -2.257 25067 129 1 1 . 1 1 25 25 LEU H H 25 8.619 8.619 7.807 0.812 25067 130 1 1 . 1 1 26 26 TYR N N 26 123.695 123.695 117.649 6.046 25067 131 1 1 . 1 1 26 26 TYR HA H 26 4.635 4.635 5.385 -0.750 25067 132 1 1 . 1 1 26 26 TYR C C 26 176.833 176.833 175.328 1.505 25067 133 1 1 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.399 -0.117 25067 134 1 1 . 1 1 26 26 TYR CB C 26 38.143 38.143 41.913 -3.770 25067 135 1 1 . 1 1 26 26 TYR H H 26 8.465 8.465 8.106 0.359 25067 136 1 1 . 1 1 27 27 PHE N N 27 119.951 119.951 120.923 -0.972 25067 137 1 1 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.807 -0.021 25067 138 1 1 . 1 1 27 27 PHE C C 27 176.205 176.205 174.870 1.335 25067 139 1 1 . 1 1 27 27 PHE CA C 27 60.136 60.136 56.515 3.621 25067 140 1 1 . 1 1 27 27 PHE CB C 27 38.455 38.455 40.983 -2.528 25067 141 1 1 . 1 1 27 27 PHE H H 27 7.991 7.991 8.086 -0.095 25067 142 1 1 . 1 1 28 28 SER N N 28 114.987 114.987 116.209 -1.222 25067 143 1 1 . 1 1 28 28 SER HA H 28 4.455 4.455 4.589 -0.134 25067 144 1 1 . 1 1 28 28 SER C C 28 174.517 174.517 174.336 0.181 25067 145 1 1 . 1 1 28 28 SER CA C 28 59.489 59.489 58.677 0.812 25067 146 1 1 . 1 1 28 28 SER CB C 28 62.828 62.828 64.603 -1.775 25067 147 1 1 . 1 1 28 28 SER H H 28 8.508 8.508 8.568 -0.060 25067 148 1 1 . 1 1 29 29 LYS N N 29 123.721 123.721 123.184 0.537 25067 149 1 1 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.541 0.112 25067 150 1 1 . 1 1 29 29 LYS C C 29 175.954 175.954 177.386 -1.432 25067 151 1 1 . 1 1 29 29 LYS CA C 29 54.695 54.695 54.538 0.157 25067 152 1 1 . 1 1 29 29 LYS CB C 29 31.548 31.548 32.942 -1.394 25067 153 1 1 . 1 1 29 29 LYS H H 29 7.723 7.723 8.165 -0.442 25067 154 1 1 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.016 0.056 25067 155 1 1 . 1 1 30 30 ALA CA C 30 55.547 55.547 54.962 0.585 25067 156 1 1 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.314 0.457 25067 157 1 1 . 1 1 31 31 GLU N N 31 117.703 117.703 118.528 -0.825 25067 158 1 1 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.053 0.125 25067 159 1 1 . 1 1 31 31 GLU C C 31 179.251 179.251 178.750 0.501 25067 160 1 1 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.318 0.278 25067 161 1 1 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.120 -0.521 25067 162 1 1 . 1 1 31 31 GLU H H 31 9.034 9.034 8.957 0.077 25067 163 1 1 . 1 1 32 32 GLU N N 32 121.084 121.084 119.855 1.229 25067 164 1 1 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.137 0.048 25067 165 1 1 . 1 1 32 32 GLU C C 32 179.251 179.251 178.495 0.756 25067 166 1 1 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.966 0.251 25067 167 1 1 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.340 -0.009 25067 168 1 1 . 1 1 32 32 GLU H H 32 8.046 8.046 8.402 -0.356 25067 169 1 1 . 1 1 33 33 ALA N N 33 122.906 122.906 122.568 0.338 25067 170 1 1 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.463 0.627 25067 171 1 1 . 1 1 33 33 ALA C C 33 180.244 180.244 179.487 0.757 25067 172 1 1 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.224 0.295 25067 173 1 1 . 1 1 33 33 ALA CB C 33 17.968 17.968 17.806 0.162 25067 174 1 1 . 1 1 33 33 ALA H H 33 8.383 8.383 7.793 0.590 25067 175 1 1 . 1 1 34 34 LYS N N 34 119.560 119.560 116.715 2.845 25067 176 1 1 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.038 0.152 25067 177 1 1 . 1 1 34 34 LYS C C 34 179.198 179.198 178.959 0.239 25067 178 1 1 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.663 -0.183 25067 179 1 1 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.083 0.369 25067 180 1 1 . 1 1 34 34 LYS H H 34 7.885 7.885 7.925 -0.040 25067 181 1 1 . 1 1 35 35 GLU N N 35 121.053 121.053 120.630 0.423 25067 182 1 1 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.188 -0.007 25067 183 1 1 . 1 1 35 35 GLU C C 35 179.288 179.288 179.211 0.077 25067 184 1 1 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.089 0.302 25067 185 1 1 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.624 -0.280 25067 186 1 1 . 1 1 35 35 GLU H H 35 8.042 8.042 7.543 0.499 25067 187 1 1 . 1 1 36 36 LEU N N 36 121.053 121.053 120.449 0.604 25067 188 1 1 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.278 -0.041 25067 189 1 1 . 1 1 36 36 LEU C C 36 177.982 177.982 179.734 -1.752 25067 190 1 1 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.266 0.471 25067 191 1 1 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.033 0.908 25067 192 1 1 . 1 1 36 36 LEU H H 36 8.434 8.434 8.404 0.030 25067 193 1 1 . 1 1 37 37 LEU N N 37 120.035 120.035 121.309 -1.274 25067 194 1 1 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.837 -0.221 25067 195 1 1 . 1 1 37 37 LEU C C 37 178.070 178.070 178.127 -0.057 25067 196 1 1 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.982 0.567 25067 197 1 1 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.757 0.391 25067 198 1 1 . 1 1 37 37 LEU H H 37 7.883 7.883 8.450 -0.567 25067 199 1 1 . 1 1 38 38 LYS N N 38 116.604 116.604 117.004 -0.400 25067 200 1 1 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.986 -0.190 25067 201 1 1 . 1 1 38 38 LYS C C 38 178.246 178.246 179.033 -0.787 25067 202 1 1 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.091 0.424 25067 203 1 1 . 1 1 38 38 LYS CB C 38 32.595 32.595 31.924 0.671 25067 204 1 1 . 1 1 38 38 LYS H H 38 7.102 7.102 7.668 -0.566 25067 205 1 1 . 1 1 39 39 LYS N N 39 118.823 118.823 120.972 -2.149 25067 206 1 1 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.030 0.125 25067 207 1 1 . 1 1 39 39 LYS C C 39 179.464 179.464 178.890 0.574 25067 208 1 1 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.623 -0.497 25067 209 1 1 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.523 0.171 25067 210 1 1 . 1 1 39 39 LYS H H 39 7.752 7.752 7.360 0.392 25067 211 1 1 . 1 1 40 40 VAL N N 40 119.336 119.336 119.326 0.010 25067 212 1 1 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.603 -0.250 25067 213 1 1 . 1 1 40 40 VAL C C 40 178.612 178.612 177.803 0.809 25067 214 1 1 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.368 -0.032 25067 215 1 1 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.532 -0.380 25067 216 1 1 . 1 1 40 40 VAL H H 40 8.925 8.925 8.144 0.781 25067 217 1 1 . 1 1 41 41 ALA N N 41 120.709 120.709 120.809 -0.100 25067 218 1 1 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.988 -0.093 25067 219 1 1 . 1 1 41 41 ALA C C 41 179.163 179.163 179.799 -0.636 25067 220 1 1 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.054 -0.029 25067 221 1 1 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.196 0.499 25067 222 1 1 . 1 1 41 41 ALA H H 41 8.001 8.001 7.669 0.332 25067 223 1 1 . 1 1 42 42 GLU N N 42 117.330 117.330 118.988 -1.658 25067 224 1 1 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.087 -0.151 25067 225 1 1 . 1 1 42 42 GLU C C 42 179.452 179.452 179.135 0.317 25067 226 1 1 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.180 0.431 25067 227 1 1 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.536 0.203 25067 228 1 1 . 1 1 42 42 GLU H H 42 8.197 8.197 7.731 0.466 25067 229 1 1 . 1 1 43 43 LYS N N 43 119.586 119.586 118.539 1.047 25067 230 1 1 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.415 -0.217 25067 231 1 1 . 1 1 43 43 LYS C C 43 179.595 179.595 179.044 0.551 25067 232 1 1 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.665 1.104 25067 233 1 1 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.858 0.213 25067 234 1 1 . 1 1 43 43 LYS H H 43 8.119 8.119 7.906 0.213 25067 235 1 1 . 1 1 44 44 ALA N N 44 121.948 121.948 121.504 0.444 25067 236 1 1 . 1 1 44 44 ALA HA H 44 4.266 4.266 3.912 0.354 25067 237 1 1 . 1 1 44 44 ALA C C 44 178.937 178.937 178.603 0.334 25067 238 1 1 . 1 1 44 44 ALA CA C 44 54.990 54.990 55.023 -0.032 25067 239 1 1 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.194 -0.393 25067 240 1 1 . 1 1 44 44 ALA H H 44 8.396 8.396 7.982 0.414 25067 241 1 1 . 1 1 45 45 ALA N N 45 118.814 118.814 120.176 -1.362 25067 242 1 1 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.907 0.050 25067 243 1 1 . 1 1 45 45 ALA C C 45 178.887 178.887 179.251 -0.364 25067 244 1 1 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.715 0.853 25067 245 1 1 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.204 -0.177 25067 246 1 1 . 1 1 45 45 ALA H H 45 8.519 8.519 7.590 0.929 25067 247 1 1 . 1 1 46 46 ASP N N 46 116.930 116.930 117.717 -0.787 25067 248 1 1 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.413 -0.014 25067 249 1 1 . 1 1 46 46 ASP C C 46 178.020 178.020 178.157 -0.137 25067 250 1 1 . 1 1 46 46 ASP CA C 46 57.640 57.640 56.938 0.702 25067 251 1 1 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.380 1.456 25067 252 1 1 . 1 1 46 46 ASP H H 46 7.852 7.852 7.922 -0.070 25067 253 1 1 . 1 1 47 47 LYS N N 47 119.467 119.467 118.164 1.303 25067 254 1 1 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.165 -0.072 25067 255 1 1 . 1 1 47 47 LYS C C 47 178.924 178.924 178.576 0.348 25067 256 1 1 . 1 1 47 47 LYS CA C 47 59.672 59.672 57.712 1.960 25067 257 1 1 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.319 0.192 25067 258 1 1 . 1 1 47 47 LYS H H 47 7.692 7.692 7.532 0.160 25067 259 1 1 . 1 1 48 48 ILE N N 48 119.929 119.929 118.968 0.961 25067 260 1 1 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.760 -0.020 25067 261 1 1 . 1 1 48 48 ILE C C 48 179.025 179.025 177.748 1.277 25067 262 1 1 . 1 1 48 48 ILE CA C 48 64.978 64.978 64.827 0.151 25067 263 1 1 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.367 0.925 25067 264 1 1 . 1 1 48 48 ILE H H 48 8.585 8.585 7.732 0.853 25067 265 1 1 . 1 1 49 49 LYS N N 49 119.534 119.534 119.720 -0.186 25067 266 1 1 . 1 1 49 49 LYS HA H 49 4.017 4.017 3.842 0.175 25067 267 1 1 . 1 1 49 49 LYS C C 49 179.025 179.025 177.945 1.080 25067 268 1 1 . 1 1 49 49 LYS CA C 49 59.647 59.647 59.610 0.037 25067 269 1 1 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.276 0.326 25067 270 1 1 . 1 1 49 49 LYS H H 49 8.353 8.353 7.746 0.607 25067 271 1 1 . 1 1 50 50 LYS N N 50 117.423 117.423 116.268 1.155 25067 272 1 1 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.324 -0.108 25067 273 1 1 . 1 1 50 50 LYS C C 50 178.510 178.510 179.048 -0.538 25067 274 1 1 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.437 0.060 25067 275 1 1 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.797 0.525 25067 276 1 1 . 1 1 50 50 LYS H H 50 7.996 7.996 7.422 0.574 25067 277 1 1 . 1 1 51 51 GLN N N 51 115.137 115.137 114.942 0.195 25067 278 1 1 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.385 0.096 25067 279 1 1 . 1 1 51 51 GLN C C 51 177.292 177.292 176.919 0.373 25067 280 1 1 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.072 0.935 25067 281 1 1 . 1 1 51 51 GLN CB C 51 29.940 29.940 29.725 0.215 25067 282 1 1 . 1 1 51 51 GLN H H 51 8.384 8.384 7.505 0.879 25067 283 1 1 . 1 1 52 52 GLY N N 52 109.119 109.119 108.767 0.352 25067 284 1 1 . 1 1 52 52 GLY C C 52 174.391 174.391 174.549 -0.158 25067 285 1 1 . 1 1 52 52 GLY CA C 52 46.560 46.560 44.877 1.683 25067 286 1 1 . 1 1 52 52 GLY H H 52 8.218 8.218 7.721 0.497 25067 287 1 1 . 1 1 53 53 CYS N N 53 116.935 116.935 119.045 -2.110 25067 288 1 1 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.248 0.237 25067 289 1 1 . 1 1 53 53 CYS C C 53 173.989 173.989 175.381 -1.392 25067 290 1 1 . 1 1 53 53 CYS CA C 53 58.148 58.148 59.334 -1.186 25067 291 1 1 . 1 1 53 53 CYS CB C 53 28.714 28.714 25.375 3.339 25067 292 1 1 . 1 1 53 53 CYS H H 53 7.623 7.623 8.232 -0.609 25067 293 1 1 . 1 1 54 54 LYS N N 54 120.659 120.659 120.503 0.156 25067 294 1 1 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.274 0.226 25067 295 1 1 . 1 1 54 54 LYS C C 54 174.793 174.793 176.387 -1.594 25067 296 1 1 . 1 1 54 54 LYS CA C 54 56.326 56.326 55.962 0.364 25067 297 1 1 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.995 0.715 25067 298 1 1 . 1 1 54 54 LYS H H 54 8.765 8.765 7.994 0.771 25067 299 1 1 . 1 1 55 55 ARG N N 55 117.927 117.927 120.627 -2.700 25067 300 1 1 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.624 0.819 25067 301 1 1 . 1 1 55 55 ARG C C 55 174.517 174.517 174.249 0.268 25067 302 1 1 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.574 -0.985 25067 303 1 1 . 1 1 55 55 ARG CB C 55 33.616 33.616 31.645 1.970 25067 304 1 1 . 1 1 55 55 ARG H H 55 7.603 7.603 7.911 -0.308 25067 305 1 1 . 1 1 56 56 VAL N N 56 122.079 122.079 124.196 -2.117 25067 306 1 1 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.485 0.340 25067 307 1 1 . 1 1 56 56 VAL C C 56 173.311 173.311 174.734 -1.423 25067 308 1 1 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.940 -0.655 25067 309 1 1 . 1 1 56 56 VAL CB C 56 34.930 34.930 35.287 -0.357 25067 310 1 1 . 1 1 56 56 VAL H H 56 8.853 8.853 8.415 0.438 25067 311 1 1 . 1 1 57 57 LYS N N 57 125.849 125.849 126.140 -0.291 25067 312 1 1 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.739 0.865 25067 313 1 1 . 1 1 57 57 LYS C C 57 174.881 174.881 174.633 0.248 25067 314 1 1 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.416 -0.678 25067 315 1 1 . 1 1 57 57 LYS CB C 57 35.935 35.935 35.751 0.184 25067 316 1 1 . 1 1 57 57 LYS H H 57 8.819 8.819 9.008 -0.189 25067 317 1 1 . 1 1 58 58 ILE N N 58 125.213 125.213 125.610 -0.397 25067 318 1 1 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.432 0.735 25067 319 1 1 . 1 1 58 58 ILE C C 58 174.981 174.981 174.669 0.312 25067 320 1 1 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.864 -0.268 25067 321 1 1 . 1 1 58 58 ILE CB C 58 40.859 40.859 39.100 1.759 25067 322 1 1 . 1 1 58 58 ILE H H 58 9.204 9.204 8.579 0.625 25067 323 1 1 . 1 1 59 59 ARG N N 59 124.047 124.047 127.156 -3.109 25067 324 1 1 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.402 0.699 25067 325 1 1 . 1 1 59 59 ARG C C 59 175.144 175.144 174.775 0.369 25067 326 1 1 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.347 -0.256 25067 327 1 1 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.579 2.456 25067 328 1 1 . 1 1 59 59 ARG H H 59 9.467 9.467 8.376 1.091 25067 329 1 1 . 1 1 60 60 PHE N N 60 113.223 113.223 124.358 -11.135 25067 330 1 1 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.103 0.101 25067 331 1 1 . 1 1 60 60 PHE C C 60 173.110 173.110 173.214 -0.104 25067 332 1 1 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.350 0.581 25067 333 1 1 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.521 -1.141 25067 334 1 1 . 1 1 60 60 PHE H H 60 8.451 8.451 8.576 -0.125 25067 335 1 1 . 1 1 61 61 GLU N N 61 121.333 121.333 125.609 -4.276 25067 336 1 1 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.640 0.004 25067 337 1 1 . 1 1 61 61 GLU C C 61 177.147 177.147 174.717 2.430 25067 338 1 1 . 1 1 61 61 GLU CA C 61 55.965 55.965 54.906 1.059 25067 339 1 1 . 1 1 61 61 GLU CB C 61 30.698 30.698 31.832 -1.134 25067 340 1 1 . 1 1 61 61 GLU H H 61 9.572 9.572 8.329 1.242 25067 341 1 1 . 1 1 62 62 LYS N N 62 121.311 121.311 122.080 -0.769 25067 342 1 1 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.572 -0.229 25067 343 1 1 . 1 1 62 62 LYS C C 62 177.398 177.398 174.102 3.296 25067 344 1 1 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.384 2.801 25067 345 1 1 . 1 1 62 62 LYS CB C 62 32.937 32.937 35.649 -2.712 25067 346 1 1 . 1 1 62 62 LYS H H 62 8.160 8.160 8.396 -0.236 25067 347 1 1 . 1 1 63 63 LYS N N 63 120.742 120.742 121.637 -0.895 25067 348 1 1 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.497 -0.379 25067 349 1 1 . 1 1 63 63 LYS C C 63 177.015 177.015 177.246 -0.231 25067 350 1 1 . 1 1 63 63 LYS CA C 63 58.693 58.693 56.865 1.828 25067 351 1 1 . 1 1 63 63 LYS CB C 63 31.677 31.677 34.666 -2.989 25067 352 1 1 . 1 1 63 63 LYS H H 63 8.028 8.028 8.441 -0.413 25067 353 1 1 . 1 1 64 64 GLY C C 64 174.039 174.039 173.704 0.335 25067 354 1 1 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.506 0.357 25067 355 1 1 . 1 1 65 65 LEU N N 65 119.849 119.849 118.112 1.737 25067 356 1 1 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.752 -0.128 25067 357 1 1 . 1 1 65 65 LEU C C 65 177.493 177.493 176.679 0.814 25067 358 1 1 . 1 1 65 65 LEU CA C 65 54.128 54.128 53.006 1.122 25067 359 1 1 . 1 1 65 65 LEU CB C 65 43.686 43.686 43.193 0.493 25067 360 1 1 . 1 1 65 65 LEU H H 65 7.836 7.836 7.263 0.573 25067 361 1 1 . 1 1 66 66 ASP N N 66 123.296 123.296 119.661 3.635 25067 362 1 1 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.619 0.053 25067 363 1 1 . 1 1 66 66 ASP C C 66 175.471 175.471 176.984 -1.513 25067 364 1 1 . 1 1 66 66 ASP CA C 66 52.820 52.820 53.653 -0.833 25067 365 1 1 . 1 1 66 66 ASP CB C 66 41.017 41.017 43.075 -2.058 25067 366 1 1 . 1 1 66 66 ASP H H 66 8.226 8.226 8.076 0.150 25067 367 1 1 . 1 1 67 67 ASP N N 67 118.859 118.859 122.175 -3.316 25067 368 1 1 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.322 -0.079 25067 369 1 1 . 1 1 67 67 ASP C C 67 178.121 178.121 177.787 0.334 25067 370 1 1 . 1 1 67 67 ASP CA C 67 58.473 58.473 56.896 1.577 25067 371 1 1 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.063 0.004 25067 372 1 1 . 1 1 67 67 ASP H H 67 8.529 8.529 8.729 -0.200 25067 373 1 1 . 1 1 68 68 ASP N N 68 119.187 119.187 119.455 -0.268 25067 374 1 1 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.405 -0.065 25067 375 1 1 . 1 1 68 68 ASP C C 68 177.807 177.807 177.896 -0.089 25067 376 1 1 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.504 -0.023 25067 377 1 1 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.767 0.692 25067 378 1 1 . 1 1 68 68 ASP H H 68 8.244 8.244 8.332 -0.088 25067 379 1 1 . 1 1 69 69 ALA N N 69 122.537 122.537 121.788 0.749 25067 380 1 1 . 1 1 69 69 ALA HA H 69 3.628 3.628 3.965 -0.337 25067 381 1 1 . 1 1 69 69 ALA C C 69 179.452 179.452 179.386 0.066 25067 382 1 1 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.996 0.020 25067 383 1 1 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.490 0.673 25067 384 1 1 . 1 1 69 69 ALA H H 69 8.191 8.191 8.132 0.059 25067 385 1 1 . 1 1 70 70 ARG N N 70 115.799 115.799 118.204 -2.405 25067 386 1 1 . 1 1 70 70 ARG HA H 70 3.723 3.723 4.022 -0.299 25067 387 1 1 . 1 1 70 70 ARG C C 70 178.183 178.183 178.036 0.147 25067 388 1 1 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.827 0.521 25067 389 1 1 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.342 0.270 25067 390 1 1 . 1 1 70 70 ARG H H 70 8.419 8.419 8.117 0.302 25067 391 1 1 . 1 1 71 71 LYS N N 71 118.170 118.170 118.380 -0.210 25067 392 1 1 . 1 1 71 71 LYS HA H 71 3.837 3.837 4.070 -0.233 25067 393 1 1 . 1 1 71 71 LYS C C 71 179.891 179.891 178.782 1.109 25067 394 1 1 . 1 1 71 71 LYS CA C 71 59.650 59.650 58.559 1.091 25067 395 1 1 . 1 1 71 71 LYS CB C 71 32.419 32.419 31.409 1.010 25067 396 1 1 . 1 1 71 71 LYS H H 71 7.781 7.781 7.546 0.235 25067 397 1 1 . 1 1 72 72 LYS N N 72 119.730 119.730 119.193 0.537 25067 398 1 1 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.009 -0.273 25067 399 1 1 . 1 1 72 72 LYS C C 72 178.874 178.874 178.927 -0.053 25067 400 1 1 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.800 0.773 25067 401 1 1 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.725 0.668 25067 402 1 1 . 1 1 72 72 LYS H H 72 7.835 7.835 7.864 -0.029 25067 403 1 1 . 1 1 73 73 ALA N N 73 123.068 123.068 121.268 1.800 25067 404 1 1 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.943 -0.188 25067 405 1 1 . 1 1 73 73 ALA C C 73 178.246 178.246 179.667 -1.421 25067 406 1 1 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.865 0.485 25067 407 1 1 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.770 -0.124 25067 408 1 1 . 1 1 73 73 ALA H H 73 8.343 8.343 7.609 0.734 25067 409 1 1 . 1 1 74 74 LYS N N 74 117.936 117.936 119.383 -1.447 25067 410 1 1 . 1 1 74 74 LYS HA H 74 3.644 3.644 4.128 -0.484 25067 411 1 1 . 1 1 74 74 LYS C C 74 177.694 177.694 178.657 -0.963 25067 412 1 1 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.263 1.058 25067 413 1 1 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.261 0.414 25067 414 1 1 . 1 1 74 74 LYS H H 74 7.934 7.934 7.909 0.025 25067 415 1 1 . 1 1 75 75 LYS N N 75 116.863 116.863 119.221 -2.358 25067 416 1 1 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.050 -0.071 25067 417 1 1 . 1 1 75 75 LYS C C 75 178.884 178.884 178.676 0.208 25067 418 1 1 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.313 0.096 25067 419 1 1 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.244 0.253 25067 420 1 1 . 1 1 75 75 LYS H H 75 7.371 7.371 7.712 -0.341 25067 421 1 1 . 1 1 76 76 TRP N N 76 121.108 121.108 121.519 -0.411 25067 422 1 1 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.196 0.001 25067 423 1 1 . 1 1 76 76 TRP C C 76 177.618 177.618 177.746 -0.128 25067 424 1 1 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.527 0.199 25067 425 1 1 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.117 0.876 25067 426 1 1 . 1 1 76 76 TRP H H 76 8.156 8.156 8.061 0.095 25067 427 1 1 . 1 1 77 77 ALA N N 77 120.099 120.099 120.366 -0.267 25067 428 1 1 . 1 1 77 77 ALA HA H 77 4.099 4.099 4.115 -0.016 25067 429 1 1 . 1 1 77 77 ALA C C 77 179.125 179.125 179.794 -0.669 25067 430 1 1 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.059 0.589 25067 431 1 1 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.613 -0.293 25067 432 1 1 . 1 1 77 77 ALA H H 77 8.883 8.883 8.135 0.748 25067 433 1 1 . 1 1 78 78 LEU N N 78 116.584 116.584 118.877 -2.293 25067 434 1 1 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.997 0.134 25067 435 1 1 . 1 1 78 78 LEU C C 78 179.828 179.828 179.205 0.623 25067 436 1 1 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.471 0.372 25067 437 1 1 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.906 -0.208 25067 438 1 1 . 1 1 78 78 LEU H H 78 8.238 8.238 7.460 0.778 25067 439 1 1 . 1 1 79 79 GLU N N 79 121.435 121.435 119.346 2.089 25067 440 1 1 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.962 0.141 25067 441 1 1 . 1 1 79 79 GLU C C 79 180.004 180.004 179.224 0.780 25067 442 1 1 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.474 -0.104 25067 443 1 1 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.682 -0.560 25067 444 1 1 . 1 1 79 79 GLU H H 79 8.296 8.296 7.858 0.438 25067 445 1 1 . 1 1 80 80 VAL N N 80 122.863 122.863 115.934 6.929 25067 446 1 1 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.540 -0.185 25067 447 1 1 . 1 1 80 80 VAL C C 80 177.044 177.044 177.181 -0.137 25067 448 1 1 . 1 1 80 80 VAL CA C 80 66.469 66.469 65.926 0.543 25067 449 1 1 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.456 0.242 25067 450 1 1 . 1 1 80 80 VAL H H 80 8.603 8.603 7.782 0.821 25067 451 1 1 . 1 1 81 81 ALA N N 81 122.490 122.490 122.373 0.117 25067 452 1 1 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.943 -0.210 25067 453 1 1 . 1 1 81 81 ALA C C 81 178.529 178.529 179.779 -1.250 25067 454 1 1 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.036 0.609 25067 455 1 1 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.055 0.360 25067 456 1 1 . 1 1 81 81 ALA H H 81 7.684 7.684 7.612 0.072 25067 457 1 1 . 1 1 82 82 ASN N N 82 114.569 114.569 115.678 -1.109 25067 458 1 1 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.455 -0.077 25067 459 1 1 . 1 1 82 82 ASN C C 82 177.505 177.505 177.428 0.077 25067 460 1 1 . 1 1 82 82 ASN CA C 82 56.203 56.203 56.202 0.001 25067 461 1 1 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.513 0.321 25067 462 1 1 . 1 1 82 82 ASN H H 82 7.752 7.752 8.089 -0.337 25067 463 1 1 . 1 1 83 83 LYS N N 83 121.384 121.384 121.767 -0.383 25067 464 1 1 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.105 -0.011 25067 465 1 1 . 1 1 83 83 LYS C C 83 179.037 179.037 178.427 0.610 25067 466 1 1 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.512 0.563 25067 467 1 1 . 1 1 83 83 LYS CB C 83 32.148 32.148 32.050 0.098 25067 468 1 1 . 1 1 83 83 LYS H H 83 8.343 8.343 7.648 0.695 25067 469 1 1 . 1 1 84 84 ILE N N 84 120.298 120.298 118.919 1.379 25067 470 1 1 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.730 -0.245 25067 471 1 1 . 1 1 84 84 ILE C C 84 177.063 177.063 178.117 -1.054 25067 472 1 1 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.146 1.042 25067 473 1 1 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.747 0.641 25067 474 1 1 . 1 1 84 84 ILE H H 84 8.496 8.496 8.059 0.437 25067 475 1 1 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.951 -0.135 25067 476 1 1 . 1 1 85 85 ALA C C 85 179.891 179.891 179.102 0.789 25067 477 1 1 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.144 0.647 25067 478 1 1 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.130 -0.082 25067 479 1 1 . 1 1 85 85 ALA H H 85 7.768 7.768 8.004 -0.236 25067 480 1 1 . 1 1 86 86 ASN N N 86 116.155 116.155 115.619 0.536 25067 481 1 1 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.431 0.104 25067 482 1 1 . 1 1 86 86 ASN C C 86 178.423 178.423 177.556 0.867 25067 483 1 1 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.795 0.311 25067 484 1 1 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.474 0.310 25067 485 1 1 . 1 1 86 86 ASN H H 86 8.355 8.355 7.806 0.549 25067 486 1 1 . 1 1 87 87 GLU N N 87 120.806 120.806 119.361 1.445 25067 487 1 1 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.103 0.073 25067 488 1 1 . 1 1 87 87 GLU C C 87 178.381 178.381 177.471 0.910 25067 489 1 1 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.543 0.366 25067 490 1 1 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.521 0.131 25067 491 1 1 . 1 1 87 87 GLU H H 87 8.431 8.431 8.075 0.356 25067 492 1 1 . 1 1 88 88 LEU N N 88 115.825 115.825 117.116 -1.291 25067 493 1 1 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.534 -0.178 25067 494 1 1 . 1 1 88 88 LEU C C 88 177.442 177.442 177.773 -0.331 25067 495 1 1 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.435 -0.858 25067 496 1 1 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.489 1.011 25067 497 1 1 . 1 1 88 88 LEU H H 88 7.547 7.547 7.578 -0.031 25067 498 1 1 . 1 1 89 89 GLY N N 89 109.579 109.579 103.888 5.691 25067 499 1 1 . 1 1 89 89 GLY C C 89 174.321 174.321 172.878 1.443 25067 500 1 1 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.483 1.024 25067 501 1 1 . 1 1 89 89 GLY H H 89 7.934 7.934 7.932 0.002 25067 502 1 1 . 1 1 90 90 ALA N N 90 120.990 120.990 123.745 -2.755 25067 503 1 1 . 1 1 90 90 ALA HA H 90 4.649 4.649 3.988 0.661 25067 504 1 1 . 1 1 90 90 ALA C C 90 177.053 177.053 176.361 0.692 25067 505 1 1 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.370 -2.296 25067 506 1 1 . 1 1 90 90 ALA CB C 90 21.819 21.819 18.053 3.766 25067 507 1 1 . 1 1 90 90 ALA H H 90 8.017 8.017 8.371 -0.354 25067 508 1 1 . 1 1 91 91 LYS N N 91 120.615 120.615 120.817 -0.202 25067 509 1 1 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.498 -0.083 25067 510 1 1 . 1 1 91 91 LYS C C 91 175.765 175.765 175.823 -0.058 25067 511 1 1 . 1 1 91 91 LYS CA C 91 56.179 56.179 56.437 -0.258 25067 512 1 1 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.762 -1.020 25067 513 1 1 . 1 1 91 91 LYS H H 91 8.366 8.366 8.556 -0.190 25067 514 1 1 . 1 1 92 92 GLN N N 92 119.273 119.273 117.154 2.119 25067 515 1 1 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.650 0.511 25067 516 1 1 . 1 1 92 92 GLN C C 92 175.136 175.136 175.135 0.001 25067 517 1 1 . 1 1 92 92 GLN CA C 92 54.110 54.110 54.756 -0.646 25067 518 1 1 . 1 1 92 92 GLN CB C 92 30.681 30.681 32.449 -1.768 25067 519 1 1 . 1 1 92 92 GLN H H 92 8.495 8.495 8.304 0.191 25067 520 1 1 . 1 1 93 93 SER N N 93 117.003 117.003 115.613 1.390 25067 521 1 1 . 1 1 93 93 SER HA H 93 4.781 4.781 4.566 0.215 25067 522 1 1 . 1 1 93 93 SER C C 93 173.735 173.735 174.713 -0.978 25067 523 1 1 . 1 1 93 93 SER CA C 93 57.819 57.819 57.959 -0.140 25067 524 1 1 . 1 1 93 93 SER CB C 93 64.648 64.648 64.011 0.637 25067 525 1 1 . 1 1 93 93 SER H H 93 8.441 8.441 8.453 -0.012 25067 526 1 1 . 1 1 94 94 THR HA H 94 4.781 4.781 4.495 0.286 25067 527 1 1 . 1 1 94 94 THR CA C 94 61.111 61.111 62.727 -1.616 25067 528 1 1 . 1 1 94 94 THR CB C 94 71.032 71.032 69.380 1.652 25067 529 1 1 . 1 1 95 95 THR N N 95 119.923 119.923 119.733 0.190 25067 530 1 1 . 1 1 95 95 THR HA H 95 5.098 5.098 4.619 0.479 25067 531 1 1 . 1 1 95 95 THR CA C 95 60.438 60.438 60.437 0.001 25067 532 1 1 . 1 1 95 95 THR CB C 95 70.780 70.780 70.032 0.748 25067 533 1 1 . 1 1 95 95 THR H H 95 8.762 8.762 8.560 0.202 25067 534 1 1 . 1 1 96 96 THR HA H 96 4.367 4.367 4.634 -0.267 25067 535 1 1 . 1 1 96 96 THR CA C 96 61.740 61.740 62.019 -0.279 25067 536 1 1 . 1 1 96 96 THR CB C 96 70.992 70.992 71.213 -0.221 25067 537 1 1 . 1 1 97 97 THR N N 97 120.315 120.315 119.283 1.032 25067 538 1 1 . 1 1 97 97 THR HA H 97 5.363 5.363 4.693 0.670 25067 539 1 1 . 1 1 97 97 THR CA C 97 61.379 61.379 61.772 -0.393 25067 540 1 1 . 1 1 97 97 THR CB C 97 71.216 71.216 69.992 1.224 25067 541 1 1 . 1 1 97 97 THR H H 97 8.999 8.999 8.472 0.527 25067 542 1 1 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.899 0.293 25067 543 1 1 . 1 1 98 98 ASP C C 98 175.672 175.672 177.305 -1.633 25067 544 1 1 . 1 1 98 98 ASP CA C 98 52.593 52.593 53.258 -0.665 25067 545 1 1 . 1 1 98 98 ASP CB C 98 41.735 41.735 43.302 -1.567 25067 546 1 1 . 1 1 99 99 GLY N N 99 111.919 111.919 109.308 2.611 25067 547 1 1 . 1 1 99 99 GLY C C 99 174.049 174.049 176.033 -1.984 25067 548 1 1 . 1 1 99 99 GLY CA C 99 45.026 45.026 47.129 -2.103 25067 549 1 1 . 1 1 99 99 GLY H H 99 7.817 7.817 8.702 -0.885 25067 550 1 1 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.943 -0.389 25067 551 1 1 . 1 1 100 100 ASP C C 100 177.518 177.518 177.194 0.324 25067 552 1 1 . 1 1 100 100 ASP CA C 100 57.488 57.488 56.258 1.230 25067 553 1 1 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.932 -0.295 25067 554 1 1 . 1 1 101 101 THR N N 101 112.835 112.835 116.304 -3.469 25067 555 1 1 . 1 1 101 101 THR HA H 101 4.613 4.613 4.766 -0.153 25067 556 1 1 . 1 1 101 101 THR C C 101 173.003 173.003 173.766 -0.763 25067 557 1 1 . 1 1 101 101 THR CA C 101 60.857 60.857 63.547 -2.689 25067 558 1 1 . 1 1 101 101 THR CB C 101 70.589 70.589 69.979 0.610 25067 559 1 1 . 1 1 101 101 THR H H 101 7.819 7.819 8.032 -0.213 25067 560 1 1 . 1 1 102 102 PHE N N 102 126.633 126.633 122.132 4.501 25067 561 1 1 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.887 0.004 25067 562 1 1 . 1 1 102 102 PHE C C 102 173.286 173.286 173.248 0.038 25067 563 1 1 . 1 1 102 102 PHE CA C 102 57.173 57.173 56.883 0.290 25067 564 1 1 . 1 1 102 102 PHE CB C 102 40.719 40.719 42.586 -1.867 25067 565 1 1 . 1 1 102 102 PHE H H 102 8.581 8.581 8.664 -0.083 25067 566 1 1 . 1 1 103 103 GLU N N 103 125.528 125.528 129.107 -3.579 25067 567 1 1 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.002 0.235 25067 568 1 1 . 1 1 103 103 GLU C C 103 173.851 173.851 174.413 -0.562 25067 569 1 1 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.269 -0.209 25067 570 1 1 . 1 1 103 103 GLU CB C 103 34.318 34.318 31.315 3.003 25067 571 1 1 . 1 1 103 103 GLU H H 103 7.986 7.986 8.457 -0.471 25067 572 1 1 . 1 1 104 104 VAL N N 104 124.582 124.582 127.795 -3.213 25067 573 1 1 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.607 0.037 25067 574 1 1 . 1 1 104 104 VAL C C 104 173.763 173.763 174.309 -0.546 25067 575 1 1 . 1 1 104 104 VAL CA C 104 59.963 59.963 60.826 -0.863 25067 576 1 1 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.356 1.014 25067 577 1 1 . 1 1 104 104 VAL H H 104 9.245 9.245 8.878 0.367 25067 578 1 1 . 1 1 105 105 GLU N N 105 127.755 127.755 128.305 -0.550 25067 579 1 1 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.741 0.511 25067 580 1 1 . 1 1 105 105 GLU C C 105 174.572 174.572 174.572 0.000 25067 581 1 1 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.593 -0.234 25067 582 1 1 . 1 1 105 105 GLU CB C 105 32.818 32.818 32.154 0.664 25067 583 1 1 . 1 1 105 105 GLU H H 105 9.040 9.040 8.865 0.175 25067 584 1 1 . 1 1 106 106 VAL N N 106 127.452 127.452 124.825 2.627 25067 585 1 1 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.280 0.488 25067 586 1 1 . 1 1 106 106 VAL C C 106 174.692 174.692 175.002 -0.310 25067 587 1 1 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.177 -0.754 25067 588 1 1 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.088 2.054 25067 589 1 1 . 1 1 106 106 VAL H H 106 9.315 9.315 8.375 0.940 25067 590 1 1 . 1 1 107 107 ILE N N 107 127.006 127.006 128.627 -1.621 25067 591 1 1 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.437 0.180 25067 592 1 1 . 1 1 107 107 ILE C C 107 176.187 176.187 175.710 0.477 25067 593 1 1 . 1 1 107 107 ILE CA C 107 60.406 60.406 60.252 0.154 25067 594 1 1 . 1 1 107 107 ILE CB C 107 38.521 38.521 37.557 0.964 25067 595 1 1 . 1 1 107 107 ILE H H 107 8.814 8.814 8.304 0.510 25067 596 1 1 . 1 1 108 108 LEU N N 108 128.313 128.313 128.705 -0.392 25067 597 1 1 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.465 0.292 25067 598 1 1 . 1 1 108 108 LEU C C 108 176.058 176.058 176.763 -0.705 25067 599 1 1 . 1 1 108 108 LEU CA C 108 54.124 54.124 54.061 0.063 25067 600 1 1 . 1 1 108 108 LEU CB C 108 43.074 43.074 42.549 0.525 25067 601 1 1 . 1 1 108 108 LEU H H 108 8.652 8.652 8.317 0.335 25067 602 1 1 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.364 0.168 25067 603 1 1 . 1 1 109 109 GLU C C 109 175.408 175.408 174.788 0.620 25067 604 1 1 . 1 1 109 109 GLU CA C 109 55.361 55.361 56.145 -0.784 25067 605 1 1 . 1 1 109 109 GLU CB C 109 30.647 30.647 28.811 1.836 25067 606 1 1 . 1 1 110 110 LEU N N 110 125.467 125.467 125.896 -0.429 25067 607 1 1 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.497 -0.096 25067 608 1 1 . 1 1 110 110 LEU C C 110 176.854 176.854 176.153 0.701 25067 609 1 1 . 1 1 110 110 LEU CA C 110 54.969 54.969 53.687 1.282 25067 610 1 1 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.503 0.012 25067 611 1 1 . 1 1 110 110 LEU H H 110 8.402 8.402 7.742 0.660 25067 612 1 1 . 1 1 111 111 GLU N N 111 121.575 121.575 122.761 -1.186 25067 613 1 1 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.258 0.003 25067 614 1 1 . 1 1 111 111 GLU CA C 111 56.521 56.521 56.947 -0.426 25067 615 1 1 . 1 1 111 111 GLU CB C 111 30.291 30.291 30.360 -0.069 25067 616 1 1 . 1 1 111 111 GLU H H 111 8.607 8.607 8.536 0.071 25067 617 1 2 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.371 -0.251 25067 618 1 2 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.562 -0.401 25067 619 1 2 . 1 1 2 2 ALA CB C 2 19.392 19.392 19.292 0.100 25067 620 1 2 . 1 1 4 4 LYS HA H 4 4.378 4.378 2.157 2.221 25067 621 1 2 . 1 1 4 4 LYS C C 4 176.563 176.563 174.751 1.812 25067 622 1 2 . 1 1 4 4 LYS CA C 4 56.384 56.384 56.119 0.265 25067 623 1 2 . 1 1 4 4 LYS CB C 4 33.156 33.156 32.304 0.852 25067 624 1 2 . 1 1 5 5 GLU N N 5 122.511 122.511 122.255 0.256 25067 625 1 2 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.195 0.182 25067 626 1 2 . 1 1 5 5 GLU C C 5 176.099 176.099 174.858 1.241 25067 627 1 2 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.437 -0.053 25067 628 1 2 . 1 1 5 5 GLU CB C 5 29.803 29.803 30.155 -0.352 25067 629 1 2 . 1 1 5 5 GLU H H 5 8.601 8.601 7.735 0.866 25067 630 1 2 . 1 1 6 6 LEU N N 6 124.063 124.063 123.986 0.077 25067 631 1 2 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.407 -0.008 25067 632 1 2 . 1 1 6 6 LEU C C 6 175.082 175.082 176.042 -0.960 25067 633 1 2 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.562 0.163 25067 634 1 2 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.297 0.916 25067 635 1 2 . 1 1 6 6 LEU H H 6 8.409 8.409 8.356 0.053 25067 636 1 2 . 1 1 7 7 ARG N N 7 122.244 122.244 124.618 -2.374 25067 637 1 2 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.327 0.118 25067 638 1 2 . 1 1 7 7 ARG C C 7 174.768 174.768 175.173 -0.405 25067 639 1 2 . 1 1 7 7 ARG CA C 7 54.690 54.690 56.077 -1.387 25067 640 1 2 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.426 1.664 25067 641 1 2 . 1 1 7 7 ARG H H 7 8.016 8.016 8.438 -0.422 25067 642 1 2 . 1 1 8 8 VAL N N 8 123.767 123.767 124.698 -0.931 25067 643 1 2 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.484 -0.192 25067 644 1 2 . 1 1 8 8 VAL C C 8 173.562 173.562 174.310 -0.748 25067 645 1 2 . 1 1 8 8 VAL CA C 8 60.842 60.842 61.327 -0.485 25067 646 1 2 . 1 1 8 8 VAL CB C 8 34.184 34.184 33.422 0.762 25067 647 1 2 . 1 1 8 8 VAL H H 8 8.659 8.659 8.164 0.495 25067 648 1 2 . 1 1 9 9 GLU N N 9 127.779 127.779 129.165 -1.386 25067 649 1 2 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.994 -0.104 25067 650 1 2 . 1 1 9 9 GLU C C 9 175.446 175.446 175.430 0.016 25067 651 1 2 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.459 1.024 25067 652 1 2 . 1 1 9 9 GLU CB C 9 30.750 30.750 31.244 -0.494 25067 653 1 2 . 1 1 9 9 GLU H H 9 8.513 8.513 8.430 0.083 25067 654 1 2 . 1 1 10 10 ILE N N 10 127.770 127.770 128.244 -0.474 25067 655 1 2 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.343 0.557 25067 656 1 2 . 1 1 10 10 ILE C C 10 174.981 174.981 175.091 -0.110 25067 657 1 2 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.591 -1.167 25067 658 1 2 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.499 1.146 25067 659 1 2 . 1 1 10 10 ILE H H 10 9.199 9.199 9.005 0.194 25067 660 1 2 . 1 1 11 11 LYS N N 11 125.866 125.866 129.428 -3.562 25067 661 1 2 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.688 0.750 25067 662 1 2 . 1 1 11 11 LYS C C 11 175.835 175.835 175.266 0.569 25067 663 1 2 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.420 0.397 25067 664 1 2 . 1 1 11 11 LYS CB C 11 35.060 35.060 32.808 2.252 25067 665 1 2 . 1 1 11 11 LYS H H 11 9.257 9.257 8.860 0.397 25067 666 1 2 . 1 1 12 12 ILE N N 12 121.799 121.799 126.309 -4.510 25067 667 1 2 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.301 0.998 25067 668 1 2 . 1 1 12 12 ILE C C 12 175.132 175.132 173.909 1.223 25067 669 1 2 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.922 0.212 25067 670 1 2 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.726 1.940 25067 671 1 2 . 1 1 12 12 ILE H H 12 9.075 9.075 8.535 0.540 25067 672 1 2 . 1 1 13 13 ASP N N 13 129.263 129.263 128.136 1.127 25067 673 1 2 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.957 0.252 25067 674 1 2 . 1 1 13 13 ASP C C 13 175.898 175.898 176.510 -0.612 25067 675 1 2 . 1 1 13 13 ASP CA C 13 52.731 52.731 52.687 0.044 25067 676 1 2 . 1 1 13 13 ASP CB C 13 43.750 43.750 42.104 1.646 25067 677 1 2 . 1 1 13 13 ASP H H 13 9.415 9.415 8.770 0.645 25067 678 1 2 . 1 1 14 14 CYS N N 14 122.767 122.767 120.634 2.133 25067 679 1 2 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.846 0.086 25067 680 1 2 . 1 1 14 14 CYS C C 14 174.228 174.228 174.951 -0.723 25067 681 1 2 . 1 1 14 14 CYS CA C 14 58.269 58.269 58.421 -0.152 25067 682 1 2 . 1 1 14 14 CYS CB C 14 28.447 28.447 28.937 -0.490 25067 683 1 2 . 1 1 14 14 CYS H H 14 9.274 9.274 8.454 0.820 25067 684 1 2 . 1 1 15 15 GLY N N 15 110.606 110.606 108.294 2.312 25067 685 1 2 . 1 1 15 15 GLY C C 15 173.986 173.986 172.245 1.741 25067 686 1 2 . 1 1 15 15 GLY CA C 15 45.892 45.892 44.759 1.133 25067 687 1 2 . 1 1 15 15 GLY H H 15 8.919 8.919 7.456 1.463 25067 688 1 2 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.461 0.335 25067 689 1 2 . 1 1 16 16 ASN C C 16 175.157 175.157 174.604 0.553 25067 690 1 2 . 1 1 16 16 ASN CA C 16 53.181 53.181 53.428 -0.247 25067 691 1 2 . 1 1 16 16 ASN CB C 16 38.955 38.955 37.892 1.063 25067 692 1 2 . 1 1 17 17 ASP N N 17 118.767 118.767 126.948 -8.181 25067 693 1 2 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.754 -0.165 25067 694 1 2 . 1 1 17 17 ASP C C 17 175.493 175.493 174.699 0.794 25067 695 1 2 . 1 1 17 17 ASP CA C 17 54.533 54.533 54.402 0.131 25067 696 1 2 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.318 -0.326 25067 697 1 2 . 1 1 17 17 ASP H H 17 8.409 8.409 8.029 0.380 25067 698 1 2 . 1 1 18 18 ASP N N 18 119.912 119.912 117.651 2.261 25067 699 1 2 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.292 0.314 25067 700 1 2 . 1 1 18 18 ASP C C 18 175.870 175.870 176.301 -0.431 25067 701 1 2 . 1 1 18 18 ASP CA C 18 54.242 54.242 56.042 -1.800 25067 702 1 2 . 1 1 18 18 ASP CB C 18 41.116 41.116 40.242 0.874 25067 703 1 2 . 1 1 18 18 ASP H H 18 8.291 8.291 8.843 -0.552 25067 704 1 2 . 1 1 19 19 LYS N N 19 120.828 120.828 118.565 2.263 25067 705 1 2 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.416 0.023 25067 706 1 2 . 1 1 19 19 LYS C C 19 176.121 176.121 175.494 0.627 25067 707 1 2 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.855 -0.209 25067 708 1 2 . 1 1 19 19 LYS CB C 19 33.015 33.015 33.154 -0.139 25067 709 1 2 . 1 1 19 19 LYS H H 19 8.140 8.140 8.013 0.127 25067 710 1 2 . 1 1 20 20 GLU N N 20 123.292 123.292 119.186 4.106 25067 711 1 2 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.304 0.236 25067 712 1 2 . 1 1 20 20 GLU C C 20 176.413 176.413 176.338 0.075 25067 713 1 2 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.434 0.084 25067 714 1 2 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.900 0.643 25067 715 1 2 . 1 1 20 20 GLU H H 20 8.645 8.645 7.804 0.841 25067 716 1 2 . 1 1 21 21 THR N N 21 119.747 119.747 116.498 3.249 25067 717 1 2 . 1 1 21 21 THR HA H 21 4.517 4.517 4.698 -0.181 25067 718 1 2 . 1 1 21 21 THR C C 21 173.148 173.148 173.524 -0.376 25067 719 1 2 . 1 1 21 21 THR CA C 21 61.989 61.989 60.838 1.151 25067 720 1 2 . 1 1 21 21 THR CB C 21 70.485 70.485 70.757 -0.272 25067 721 1 2 . 1 1 21 21 THR H H 21 8.589 8.589 9.020 -0.431 25067 722 1 2 . 1 1 22 22 THR N N 22 119.539 119.539 122.818 -3.279 25067 723 1 2 . 1 1 22 22 THR HA H 22 5.342 5.342 5.248 0.094 25067 724 1 2 . 1 1 22 22 THR C C 22 173.148 173.148 174.032 -0.884 25067 725 1 2 . 1 1 22 22 THR CA C 22 60.977 60.977 61.697 -0.720 25067 726 1 2 . 1 1 22 22 THR CB C 22 70.490 70.490 70.224 0.266 25067 727 1 2 . 1 1 22 22 THR H H 22 8.191 8.191 8.454 -0.263 25067 728 1 2 . 1 1 23 23 TYR N N 23 123.279 123.279 126.897 -3.618 25067 729 1 2 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.578 0.076 25067 730 1 2 . 1 1 23 23 TYR C C 23 173.400 173.400 174.203 -0.803 25067 731 1 2 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.430 -0.448 25067 732 1 2 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.715 1.603 25067 733 1 2 . 1 1 23 23 TYR H H 23 9.268 9.268 9.200 0.068 25067 734 1 2 . 1 1 24 24 ASP N N 24 121.837 121.837 125.692 -3.855 25067 735 1 2 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.529 -0.685 25067 736 1 2 . 1 1 24 24 ASP C C 24 173.400 173.400 175.467 -2.067 25067 737 1 2 . 1 1 24 24 ASP CA C 24 53.469 53.469 52.918 0.551 25067 738 1 2 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.624 0.317 25067 739 1 2 . 1 1 24 24 ASP H H 24 8.484 8.484 8.518 -0.034 25067 740 1 2 . 1 1 25 25 LEU N N 25 126.268 126.268 121.742 4.526 25067 741 1 2 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.876 -0.776 25067 742 1 2 . 1 1 25 25 LEU C C 25 174.677 174.677 174.233 0.444 25067 743 1 2 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.173 -0.440 25067 744 1 2 . 1 1 25 25 LEU CB C 25 42.626 42.626 45.717 -3.091 25067 745 1 2 . 1 1 25 25 LEU H H 25 8.619 8.619 7.846 0.773 25067 746 1 2 . 1 1 26 26 TYR N N 26 123.695 123.695 117.671 6.024 25067 747 1 2 . 1 1 26 26 TYR HA H 26 4.635 4.635 5.419 -0.784 25067 748 1 2 . 1 1 26 26 TYR C C 26 176.833 176.833 175.419 1.414 25067 749 1 2 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.581 -0.298 25067 750 1 2 . 1 1 26 26 TYR CB C 26 38.143 38.143 40.109 -1.966 25067 751 1 2 . 1 1 26 26 TYR H H 26 8.465 8.465 8.188 0.277 25067 752 1 2 . 1 1 27 27 PHE N N 27 119.951 119.951 123.027 -3.076 25067 753 1 2 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.630 0.156 25067 754 1 2 . 1 1 27 27 PHE C C 27 176.205 176.205 174.745 1.460 25067 755 1 2 . 1 1 27 27 PHE CA C 27 60.136 60.136 57.316 2.820 25067 756 1 2 . 1 1 27 27 PHE CB C 27 38.455 38.455 39.616 -1.161 25067 757 1 2 . 1 1 27 27 PHE H H 27 7.991 7.991 8.439 -0.448 25067 758 1 2 . 1 1 28 28 SER N N 28 114.987 114.987 120.096 -5.109 25067 759 1 2 . 1 1 28 28 SER HA H 28 4.455 4.455 4.130 0.325 25067 760 1 2 . 1 1 28 28 SER C C 28 174.517 174.517 174.789 -0.272 25067 761 1 2 . 1 1 28 28 SER CA C 28 59.489 59.489 59.957 -0.468 25067 762 1 2 . 1 1 28 28 SER CB C 28 62.828 62.828 63.338 -0.510 25067 763 1 2 . 1 1 28 28 SER H H 28 8.508 8.508 8.702 -0.194 25067 764 1 2 . 1 1 29 29 LYS N N 29 123.721 123.721 118.634 5.087 25067 765 1 2 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.437 0.216 25067 766 1 2 . 1 1 29 29 LYS C C 29 175.954 175.954 174.702 1.252 25067 767 1 2 . 1 1 29 29 LYS CA C 29 54.695 54.695 57.074 -2.378 25067 768 1 2 . 1 1 29 29 LYS CB C 29 31.548 31.548 33.032 -1.484 25067 769 1 2 . 1 1 29 29 LYS H H 29 7.723 7.723 7.889 -0.166 25067 770 1 2 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.388 -0.316 25067 771 1 2 . 1 1 30 30 ALA CA C 30 55.547 55.547 53.399 2.148 25067 772 1 2 . 1 1 30 30 ALA CB C 30 18.771 18.771 19.204 -0.433 25067 773 1 2 . 1 1 31 31 GLU N N 31 117.703 117.703 121.053 -3.350 25067 774 1 2 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.038 0.140 25067 775 1 2 . 1 1 31 31 GLU C C 31 179.251 179.251 178.428 0.823 25067 776 1 2 . 1 1 31 31 GLU CA C 31 59.596 59.596 58.892 0.704 25067 777 1 2 . 1 1 31 31 GLU CB C 31 28.599 28.599 28.989 -0.390 25067 778 1 2 . 1 1 31 31 GLU H H 31 9.034 9.034 8.728 0.306 25067 779 1 2 . 1 1 32 32 GLU N N 32 121.084 121.084 119.428 1.656 25067 780 1 2 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.131 0.054 25067 781 1 2 . 1 1 32 32 GLU C C 32 179.251 179.251 178.394 0.857 25067 782 1 2 . 1 1 32 32 GLU CA C 32 59.217 59.217 59.279 -0.062 25067 783 1 2 . 1 1 32 32 GLU CB C 32 29.331 29.331 28.319 1.012 25067 784 1 2 . 1 1 32 32 GLU H H 32 8.046 8.046 8.813 -0.767 25067 785 1 2 . 1 1 33 33 ALA N N 33 122.906 122.906 122.942 -0.036 25067 786 1 2 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.036 0.054 25067 787 1 2 . 1 1 33 33 ALA C C 33 180.244 180.244 179.684 0.560 25067 788 1 2 . 1 1 33 33 ALA CA C 33 55.519 55.519 54.983 0.536 25067 789 1 2 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.106 -0.138 25067 790 1 2 . 1 1 33 33 ALA H H 33 8.383 8.383 8.269 0.114 25067 791 1 2 . 1 1 34 34 LYS N N 34 119.560 119.560 118.332 1.228 25067 792 1 2 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.143 0.047 25067 793 1 2 . 1 1 34 34 LYS C C 34 179.198 179.198 178.843 0.355 25067 794 1 2 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.699 -0.218 25067 795 1 2 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.450 0.002 25067 796 1 2 . 1 1 34 34 LYS H H 34 7.885 7.885 8.135 -0.250 25067 797 1 2 . 1 1 35 35 GLU N N 35 121.053 121.053 120.788 0.265 25067 798 1 2 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.146 0.035 25067 799 1 2 . 1 1 35 35 GLU C C 35 179.288 179.288 178.861 0.427 25067 800 1 2 . 1 1 35 35 GLU CA C 35 59.391 59.391 58.940 0.451 25067 801 1 2 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.058 0.286 25067 802 1 2 . 1 1 35 35 GLU H H 35 8.042 8.042 7.721 0.321 25067 803 1 2 . 1 1 36 36 LEU N N 36 121.053 121.053 120.571 0.482 25067 804 1 2 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.252 -0.015 25067 805 1 2 . 1 1 36 36 LEU C C 36 177.982 177.982 179.406 -1.424 25067 806 1 2 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.609 0.128 25067 807 1 2 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.180 0.761 25067 808 1 2 . 1 1 36 36 LEU H H 36 8.434 8.434 8.134 0.300 25067 809 1 2 . 1 1 37 37 LEU N N 37 120.035 120.035 121.272 -1.237 25067 810 1 2 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.862 -0.246 25067 811 1 2 . 1 1 37 37 LEU C C 37 178.070 178.070 178.289 -0.219 25067 812 1 2 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.780 0.769 25067 813 1 2 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.749 0.399 25067 814 1 2 . 1 1 37 37 LEU H H 37 7.883 7.883 8.700 -0.817 25067 815 1 2 . 1 1 38 38 LYS N N 38 116.604 116.604 119.097 -2.493 25067 816 1 2 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.927 -0.131 25067 817 1 2 . 1 1 38 38 LYS C C 38 178.246 178.246 178.865 -0.619 25067 818 1 2 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.573 -0.058 25067 819 1 2 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.193 0.402 25067 820 1 2 . 1 1 38 38 LYS H H 38 7.102 7.102 7.792 -0.690 25067 821 1 2 . 1 1 39 39 LYS N N 39 118.823 118.823 119.593 -0.770 25067 822 1 2 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.222 -0.067 25067 823 1 2 . 1 1 39 39 LYS C C 39 179.464 179.464 178.809 0.655 25067 824 1 2 . 1 1 39 39 LYS CA C 39 59.126 59.126 58.788 0.337 25067 825 1 2 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.158 0.536 25067 826 1 2 . 1 1 39 39 LYS H H 39 7.752 7.752 7.875 -0.123 25067 827 1 2 . 1 1 40 40 VAL N N 40 119.336 119.336 119.430 -0.094 25067 828 1 2 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.303 0.050 25067 829 1 2 . 1 1 40 40 VAL C C 40 178.612 178.612 177.719 0.893 25067 830 1 2 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.082 0.254 25067 831 1 2 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.367 -0.215 25067 832 1 2 . 1 1 40 40 VAL H H 40 8.925 8.925 7.888 1.036 25067 833 1 2 . 1 1 41 41 ALA N N 41 120.709 120.709 122.080 -1.371 25067 834 1 2 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.880 0.015 25067 835 1 2 . 1 1 41 41 ALA C C 41 179.163 179.163 179.223 -0.060 25067 836 1 2 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.337 -0.312 25067 837 1 2 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.320 0.375 25067 838 1 2 . 1 1 41 41 ALA H H 41 8.001 8.001 7.654 0.347 25067 839 1 2 . 1 1 42 42 GLU N N 42 117.330 117.330 117.478 -0.148 25067 840 1 2 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.003 -0.067 25067 841 1 2 . 1 1 42 42 GLU C C 42 179.452 179.452 179.131 0.321 25067 842 1 2 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.139 0.472 25067 843 1 2 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.311 0.428 25067 844 1 2 . 1 1 42 42 GLU H H 42 8.197 8.197 8.053 0.144 25067 845 1 2 . 1 1 43 43 LYS N N 43 119.586 119.586 118.908 0.678 25067 846 1 2 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.582 -0.384 25067 847 1 2 . 1 1 43 43 LYS C C 43 179.595 179.595 178.869 0.726 25067 848 1 2 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.584 1.185 25067 849 1 2 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.190 -0.119 25067 850 1 2 . 1 1 43 43 LYS H H 43 8.119 8.119 7.917 0.202 25067 851 1 2 . 1 1 44 44 ALA N N 44 121.948 121.948 122.425 -0.477 25067 852 1 2 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.063 0.203 25067 853 1 2 . 1 1 44 44 ALA C C 44 178.937 178.937 178.909 0.028 25067 854 1 2 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.862 0.128 25067 855 1 2 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.237 -0.436 25067 856 1 2 . 1 1 44 44 ALA H H 44 8.396 8.396 7.844 0.552 25067 857 1 2 . 1 1 45 45 ALA N N 45 118.814 118.814 120.098 -1.284 25067 858 1 2 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.853 0.104 25067 859 1 2 . 1 1 45 45 ALA C C 45 178.887 178.887 179.017 -0.130 25067 860 1 2 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.904 0.664 25067 861 1 2 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.159 -0.132 25067 862 1 2 . 1 1 45 45 ALA H H 45 8.519 8.519 7.760 0.759 25067 863 1 2 . 1 1 46 46 ASP N N 46 116.930 116.930 118.531 -1.601 25067 864 1 2 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.362 0.037 25067 865 1 2 . 1 1 46 46 ASP C C 46 178.020 178.020 178.541 -0.521 25067 866 1 2 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.467 0.173 25067 867 1 2 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.450 1.386 25067 868 1 2 . 1 1 46 46 ASP H H 46 7.852 7.852 7.930 -0.078 25067 869 1 2 . 1 1 47 47 LYS N N 47 119.467 119.467 119.458 0.009 25067 870 1 2 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.123 -0.030 25067 871 1 2 . 1 1 47 47 LYS C C 47 178.924 178.924 179.189 -0.265 25067 872 1 2 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.604 1.068 25067 873 1 2 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.002 0.509 25067 874 1 2 . 1 1 47 47 LYS H H 47 7.692 7.692 7.628 0.064 25067 875 1 2 . 1 1 48 48 ILE N N 48 119.929 119.929 117.522 2.407 25067 876 1 2 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.883 -0.143 25067 877 1 2 . 1 1 48 48 ILE C C 48 179.025 179.025 177.201 1.824 25067 878 1 2 . 1 1 48 48 ILE CA C 48 64.978 64.978 62.754 2.224 25067 879 1 2 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.132 1.160 25067 880 1 2 . 1 1 48 48 ILE H H 48 8.585 8.585 7.569 1.016 25067 881 1 2 . 1 1 49 49 LYS N N 49 119.534 119.534 118.934 0.600 25067 882 1 2 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.109 -0.092 25067 883 1 2 . 1 1 49 49 LYS C C 49 179.025 179.025 177.915 1.110 25067 884 1 2 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.248 1.399 25067 885 1 2 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.322 0.279 25067 886 1 2 . 1 1 49 49 LYS H H 49 8.353 8.353 7.481 0.872 25067 887 1 2 . 1 1 50 50 LYS N N 50 117.423 117.423 116.568 0.855 25067 888 1 2 . 1 1 50 50 LYS HA H 50 4.216 4.216 3.999 0.217 25067 889 1 2 . 1 1 50 50 LYS C C 50 178.510 178.510 177.624 0.886 25067 890 1 2 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.398 0.099 25067 891 1 2 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.917 0.405 25067 892 1 2 . 1 1 50 50 LYS H H 50 7.996 7.996 7.581 0.415 25067 893 1 2 . 1 1 51 51 GLN N N 51 115.137 115.137 111.592 3.545 25067 894 1 2 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.612 -0.131 25067 895 1 2 . 1 1 51 51 GLN C C 51 177.292 177.292 175.877 1.415 25067 896 1 2 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.614 0.393 25067 897 1 2 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.898 -1.958 25067 898 1 2 . 1 1 51 51 GLN H H 51 8.384 8.384 7.624 0.760 25067 899 1 2 . 1 1 52 52 GLY N N 52 109.119 109.119 110.550 -1.431 25067 900 1 2 . 1 1 52 52 GLY C C 52 174.391 174.391 172.025 2.366 25067 901 1 2 . 1 1 52 52 GLY CA C 52 46.560 46.560 44.851 1.709 25067 902 1 2 . 1 1 52 52 GLY H H 52 8.218 8.218 8.225 -0.007 25067 903 1 2 . 1 1 53 53 CYS N N 53 116.935 116.935 116.502 0.433 25067 904 1 2 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.955 -0.470 25067 905 1 2 . 1 1 53 53 CYS C C 53 173.989 173.989 174.065 -0.076 25067 906 1 2 . 1 1 53 53 CYS CA C 53 58.148 58.148 56.489 1.659 25067 907 1 2 . 1 1 53 53 CYS CB C 53 28.714 28.714 30.792 -2.078 25067 908 1 2 . 1 1 53 53 CYS H H 53 7.623 7.623 8.176 -0.553 25067 909 1 2 . 1 1 54 54 LYS N N 54 120.659 120.659 119.481 1.178 25067 910 1 2 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.880 -0.380 25067 911 1 2 . 1 1 54 54 LYS C C 54 174.793 174.793 176.689 -1.896 25067 912 1 2 . 1 1 54 54 LYS CA C 54 56.326 56.326 55.988 0.338 25067 913 1 2 . 1 1 54 54 LYS CB C 54 33.710 33.710 34.123 -0.413 25067 914 1 2 . 1 1 54 54 LYS H H 54 8.765 8.765 8.573 0.192 25067 915 1 2 . 1 1 55 55 ARG N N 55 117.927 117.927 120.475 -2.548 25067 916 1 2 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.683 0.760 25067 917 1 2 . 1 1 55 55 ARG C C 55 174.517 174.517 173.604 0.913 25067 918 1 2 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.908 -1.319 25067 919 1 2 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.930 0.686 25067 920 1 2 . 1 1 55 55 ARG H H 55 7.603 7.603 7.846 -0.243 25067 921 1 2 . 1 1 56 56 VAL N N 56 122.079 122.079 125.773 -3.694 25067 922 1 2 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.409 0.416 25067 923 1 2 . 1 1 56 56 VAL C C 56 173.311 173.311 174.687 -1.376 25067 924 1 2 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.295 -0.010 25067 925 1 2 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.414 0.516 25067 926 1 2 . 1 1 56 56 VAL H H 56 8.853 8.853 8.900 -0.047 25067 927 1 2 . 1 1 57 57 LYS N N 57 125.849 125.849 126.318 -0.469 25067 928 1 2 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.641 0.963 25067 929 1 2 . 1 1 57 57 LYS C C 57 174.881 174.881 174.786 0.095 25067 930 1 2 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.181 -0.443 25067 931 1 2 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.784 1.151 25067 932 1 2 . 1 1 57 57 LYS H H 57 8.819 8.819 8.581 0.238 25067 933 1 2 . 1 1 58 58 ILE N N 58 125.213 125.213 126.007 -0.794 25067 934 1 2 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.327 0.840 25067 935 1 2 . 1 1 58 58 ILE C C 58 174.981 174.981 174.891 0.090 25067 936 1 2 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.962 -0.366 25067 937 1 2 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.523 2.336 25067 938 1 2 . 1 1 58 58 ILE H H 58 9.204 9.204 8.581 0.623 25067 939 1 2 . 1 1 59 59 ARG N N 59 124.047 124.047 126.975 -2.928 25067 940 1 2 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.164 0.937 25067 941 1 2 . 1 1 59 59 ARG C C 59 175.144 175.144 175.061 0.083 25067 942 1 2 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.636 -0.545 25067 943 1 2 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.789 2.246 25067 944 1 2 . 1 1 59 59 ARG H H 59 9.467 9.467 8.829 0.638 25067 945 1 2 . 1 1 60 60 PHE N N 60 113.223 113.223 122.078 -8.855 25067 946 1 2 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.023 0.181 25067 947 1 2 . 1 1 60 60 PHE C C 60 173.110 173.110 173.092 0.018 25067 948 1 2 . 1 1 60 60 PHE CA C 60 56.931 56.931 57.459 -0.528 25067 949 1 2 . 1 1 60 60 PHE CB C 60 42.380 42.380 44.170 -1.790 25067 950 1 2 . 1 1 60 60 PHE H H 60 8.451 8.451 8.902 -0.451 25067 951 1 2 . 1 1 61 61 GLU N N 61 121.333 121.333 126.819 -5.486 25067 952 1 2 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.383 0.261 25067 953 1 2 . 1 1 61 61 GLU C C 61 177.147 177.147 175.517 1.630 25067 954 1 2 . 1 1 61 61 GLU CA C 61 55.965 55.965 55.935 0.030 25067 955 1 2 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.042 0.656 25067 956 1 2 . 1 1 61 61 GLU H H 61 9.572 9.572 7.877 1.695 25067 957 1 2 . 1 1 62 62 LYS N N 62 121.311 121.311 126.079 -4.768 25067 958 1 2 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.394 -0.051 25067 959 1 2 . 1 1 62 62 LYS C C 62 177.398 177.398 176.958 0.440 25067 960 1 2 . 1 1 62 62 LYS CA C 62 58.185 58.185 56.113 2.072 25067 961 1 2 . 1 1 62 62 LYS CB C 62 32.937 32.937 33.167 -0.230 25067 962 1 2 . 1 1 62 62 LYS H H 62 8.160 8.160 8.119 0.041 25067 963 1 2 . 1 1 63 63 LYS N N 63 120.742 120.742 121.372 -0.630 25067 964 1 2 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.040 0.078 25067 965 1 2 . 1 1 63 63 LYS C C 63 177.015 177.015 176.928 0.087 25067 966 1 2 . 1 1 63 63 LYS CA C 63 58.693 58.693 58.389 0.304 25067 967 1 2 . 1 1 63 63 LYS CB C 63 31.677 31.677 32.022 -0.345 25067 968 1 2 . 1 1 63 63 LYS H H 63 8.028 8.028 7.784 0.244 25067 969 1 2 . 1 1 64 64 GLY C C 64 174.039 174.039 174.124 -0.085 25067 970 1 2 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.825 0.038 25067 971 1 2 . 1 1 65 65 LEU N N 65 119.849 119.849 124.244 -4.395 25067 972 1 2 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.550 0.074 25067 973 1 2 . 1 1 65 65 LEU C C 65 177.493 177.493 176.167 1.326 25067 974 1 2 . 1 1 65 65 LEU CA C 65 54.128 54.128 54.379 -0.251 25067 975 1 2 . 1 1 65 65 LEU CB C 65 43.686 43.686 41.804 1.882 25067 976 1 2 . 1 1 65 65 LEU H H 65 7.836 7.836 7.857 -0.021 25067 977 1 2 . 1 1 66 66 ASP N N 66 123.296 123.296 125.102 -1.806 25067 978 1 2 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.372 0.300 25067 979 1 2 . 1 1 66 66 ASP C C 66 175.471 175.471 176.952 -1.481 25067 980 1 2 . 1 1 66 66 ASP CA C 66 52.820 52.820 58.162 -5.342 25067 981 1 2 . 1 1 66 66 ASP CB C 66 41.017 41.017 41.206 -0.189 25067 982 1 2 . 1 1 66 66 ASP H H 66 8.226 8.226 8.664 -0.438 25067 983 1 2 . 1 1 67 67 ASP N N 67 118.859 118.859 114.808 4.051 25067 984 1 2 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.534 -0.291 25067 985 1 2 . 1 1 67 67 ASP C C 67 178.121 178.121 176.864 1.257 25067 986 1 2 . 1 1 67 67 ASP CA C 67 58.473 58.473 55.635 2.838 25067 987 1 2 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.292 -0.225 25067 988 1 2 . 1 1 67 67 ASP H H 67 8.529 8.529 8.140 0.389 25067 989 1 2 . 1 1 68 68 ASP N N 68 119.187 119.187 120.813 -1.626 25067 990 1 2 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.412 -0.072 25067 991 1 2 . 1 1 68 68 ASP C C 68 177.807 177.807 177.565 0.242 25067 992 1 2 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.463 0.018 25067 993 1 2 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.600 0.859 25067 994 1 2 . 1 1 68 68 ASP H H 68 8.244 8.244 8.682 -0.438 25067 995 1 2 . 1 1 69 69 ALA N N 69 122.537 122.537 121.316 1.221 25067 996 1 2 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.235 -0.607 25067 997 1 2 . 1 1 69 69 ALA C C 69 179.452 179.452 179.475 -0.023 25067 998 1 2 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.773 0.243 25067 999 1 2 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.554 0.609 25067 1000 1 2 . 1 1 69 69 ALA H H 69 8.191 8.191 8.330 -0.139 25067 1001 1 2 . 1 1 70 70 ARG N N 70 115.799 115.799 119.082 -3.283 25067 1002 1 2 . 1 1 70 70 ARG HA H 70 3.723 3.723 4.046 -0.323 25067 1003 1 2 . 1 1 70 70 ARG C C 70 178.183 178.183 178.248 -0.065 25067 1004 1 2 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.481 0.867 25067 1005 1 2 . 1 1 70 70 ARG CB C 70 30.612 30.612 29.870 0.742 25067 1006 1 2 . 1 1 70 70 ARG H H 70 8.419 8.419 8.445 -0.026 25067 1007 1 2 . 1 1 71 71 LYS N N 71 118.170 118.170 118.897 -0.727 25067 1008 1 2 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.971 -0.134 25067 1009 1 2 . 1 1 71 71 LYS C C 71 179.891 179.891 178.994 0.897 25067 1010 1 2 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.208 0.442 25067 1011 1 2 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.179 0.240 25067 1012 1 2 . 1 1 71 71 LYS H H 71 7.781 7.781 8.089 -0.308 25067 1013 1 2 . 1 1 72 72 LYS N N 72 119.730 119.730 119.195 0.535 25067 1014 1 2 . 1 1 72 72 LYS HA H 72 3.736 3.736 3.949 -0.213 25067 1015 1 2 . 1 1 72 72 LYS C C 72 178.874 178.874 178.688 0.186 25067 1016 1 2 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.813 0.760 25067 1017 1 2 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.898 0.495 25067 1018 1 2 . 1 1 72 72 LYS H H 72 7.835 7.835 7.601 0.234 25067 1019 1 2 . 1 1 73 73 ALA N N 73 123.068 123.068 120.902 2.166 25067 1020 1 2 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.083 0.672 25067 1021 1 2 . 1 1 73 73 ALA C C 73 178.246 178.246 179.349 -1.103 25067 1022 1 2 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.490 0.859 25067 1023 1 2 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.546 0.101 25067 1024 1 2 . 1 1 73 73 ALA H H 73 8.343 8.343 7.723 0.620 25067 1025 1 2 . 1 1 74 74 LYS N N 74 117.936 117.936 118.835 -0.899 25067 1026 1 2 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.582 0.062 25067 1027 1 2 . 1 1 74 74 LYS C C 74 177.694 177.694 178.395 -0.701 25067 1028 1 2 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.243 1.078 25067 1029 1 2 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.072 0.603 25067 1030 1 2 . 1 1 74 74 LYS H H 74 7.934 7.934 7.830 0.104 25067 1031 1 2 . 1 1 75 75 LYS N N 75 116.863 116.863 119.206 -2.343 25067 1032 1 2 . 1 1 75 75 LYS HA H 75 3.979 3.979 3.995 -0.016 25067 1033 1 2 . 1 1 75 75 LYS C C 75 178.884 178.884 178.748 0.136 25067 1034 1 2 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.111 0.298 25067 1035 1 2 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.028 0.469 25067 1036 1 2 . 1 1 75 75 LYS H H 75 7.371 7.371 7.654 -0.283 25067 1037 1 2 . 1 1 76 76 TRP N N 76 121.108 121.108 121.720 -0.612 25067 1038 1 2 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.208 -0.011 25067 1039 1 2 . 1 1 76 76 TRP C C 76 177.618 177.618 177.694 -0.076 25067 1040 1 2 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.348 0.378 25067 1041 1 2 . 1 1 76 76 TRP CB C 76 29.993 29.993 28.885 1.108 25067 1042 1 2 . 1 1 76 76 TRP H H 76 8.156 8.156 7.895 0.261 25067 1043 1 2 . 1 1 77 77 ALA N N 77 120.099 120.099 120.993 -0.894 25067 1044 1 2 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.554 0.545 25067 1045 1 2 . 1 1 77 77 ALA C C 77 179.125 179.125 179.820 -0.695 25067 1046 1 2 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.756 0.892 25067 1047 1 2 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.084 0.235 25067 1048 1 2 . 1 1 77 77 ALA H H 77 8.883 8.883 8.072 0.811 25067 1049 1 2 . 1 1 78 78 LEU N N 78 116.584 116.584 118.998 -2.414 25067 1050 1 2 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.894 0.237 25067 1051 1 2 . 1 1 78 78 LEU C C 78 179.828 179.828 179.237 0.591 25067 1052 1 2 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.860 -0.017 25067 1053 1 2 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.735 -0.037 25067 1054 1 2 . 1 1 78 78 LEU H H 78 8.238 8.238 8.237 0.001 25067 1055 1 2 . 1 1 79 79 GLU N N 79 121.435 121.435 119.063 2.372 25067 1056 1 2 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.984 0.119 25067 1057 1 2 . 1 1 79 79 GLU C C 79 180.004 180.004 179.329 0.675 25067 1058 1 2 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.136 0.234 25067 1059 1 2 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.551 -0.429 25067 1060 1 2 . 1 1 79 79 GLU H H 79 8.296 8.296 7.617 0.679 25067 1061 1 2 . 1 1 80 80 VAL N N 80 122.863 122.863 120.535 2.328 25067 1062 1 2 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.356 -0.001 25067 1063 1 2 . 1 1 80 80 VAL C C 80 177.044 177.044 177.412 -0.368 25067 1064 1 2 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.359 0.110 25067 1065 1 2 . 1 1 80 80 VAL CB C 80 30.698 30.698 31.202 -0.504 25067 1066 1 2 . 1 1 80 80 VAL H H 80 8.603 8.603 7.990 0.613 25067 1067 1 2 . 1 1 81 81 ALA N N 81 122.490 122.490 121.330 1.160 25067 1068 1 2 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.816 -0.083 25067 1069 1 2 . 1 1 81 81 ALA C C 81 178.529 178.529 179.404 -0.875 25067 1070 1 2 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.341 0.304 25067 1071 1 2 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.236 0.179 25067 1072 1 2 . 1 1 81 81 ALA H H 81 7.684 7.684 7.863 -0.179 25067 1073 1 2 . 1 1 82 82 ASN N N 82 114.569 114.569 114.940 -0.371 25067 1074 1 2 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.404 -0.026 25067 1075 1 2 . 1 1 82 82 ASN C C 82 177.505 177.505 177.377 0.128 25067 1076 1 2 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.358 0.845 25067 1077 1 2 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.550 0.284 25067 1078 1 2 . 1 1 82 82 ASN H H 82 7.752 7.752 8.137 -0.385 25067 1079 1 2 . 1 1 83 83 LYS N N 83 121.384 121.384 122.080 -0.696 25067 1080 1 2 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.052 0.042 25067 1081 1 2 . 1 1 83 83 LYS C C 83 179.037 179.037 178.394 0.643 25067 1082 1 2 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.598 0.477 25067 1083 1 2 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.758 0.390 25067 1084 1 2 . 1 1 83 83 LYS H H 83 8.343 8.343 7.574 0.769 25067 1085 1 2 . 1 1 84 84 ILE N N 84 120.298 120.298 118.920 1.378 25067 1086 1 2 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.678 -0.193 25067 1087 1 2 . 1 1 84 84 ILE C C 84 177.063 177.063 177.682 -0.619 25067 1088 1 2 . 1 1 84 84 ILE CA C 84 66.188 66.188 64.896 1.292 25067 1089 1 2 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.663 0.725 25067 1090 1 2 . 1 1 84 84 ILE H H 84 8.496 8.496 7.627 0.869 25067 1091 1 2 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.900 -0.084 25067 1092 1 2 . 1 1 85 85 ALA C C 85 179.891 179.891 179.335 0.556 25067 1093 1 2 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.342 0.449 25067 1094 1 2 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.224 -0.176 25067 1095 1 2 . 1 1 85 85 ALA H H 85 7.768 7.768 7.836 -0.068 25067 1096 1 2 . 1 1 86 86 ASN N N 86 116.155 116.155 115.859 0.296 25067 1097 1 2 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.490 0.044 25067 1098 1 2 . 1 1 86 86 ASN C C 86 178.423 178.423 177.564 0.859 25067 1099 1 2 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.460 0.646 25067 1100 1 2 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.471 0.313 25067 1101 1 2 . 1 1 86 86 ASN H H 86 8.355 8.355 7.800 0.555 25067 1102 1 2 . 1 1 87 87 GLU N N 87 120.806 120.806 119.252 1.554 25067 1103 1 2 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.068 0.108 25067 1104 1 2 . 1 1 87 87 GLU C C 87 178.381 178.381 178.556 -0.175 25067 1105 1 2 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.550 0.359 25067 1106 1 2 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.520 0.132 25067 1107 1 2 . 1 1 87 87 GLU H H 87 8.431 8.431 8.007 0.424 25067 1108 1 2 . 1 1 88 88 LEU N N 88 115.825 115.825 117.387 -1.562 25067 1109 1 2 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.333 0.023 25067 1110 1 2 . 1 1 88 88 LEU C C 88 177.442 177.442 178.001 -0.559 25067 1111 1 2 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.484 -0.907 25067 1112 1 2 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.547 0.953 25067 1113 1 2 . 1 1 88 88 LEU H H 88 7.547 7.547 7.770 -0.223 25067 1114 1 2 . 1 1 89 89 GLY N N 89 109.579 109.579 106.641 2.938 25067 1115 1 2 . 1 1 89 89 GLY C C 89 174.321 174.321 174.164 0.157 25067 1116 1 2 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.298 1.210 25067 1117 1 2 . 1 1 89 89 GLY H H 89 7.934 7.934 7.682 0.252 25067 1118 1 2 . 1 1 90 90 ALA N N 90 120.990 120.990 121.921 -0.931 25067 1119 1 2 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.522 0.127 25067 1120 1 2 . 1 1 90 90 ALA C C 90 177.053 177.053 176.528 0.525 25067 1121 1 2 . 1 1 90 90 ALA CA C 90 51.074 51.074 51.400 -0.326 25067 1122 1 2 . 1 1 90 90 ALA CB C 90 21.819 21.819 20.549 1.270 25067 1123 1 2 . 1 1 90 90 ALA H H 90 8.017 8.017 7.644 0.373 25067 1124 1 2 . 1 1 91 91 LYS N N 91 120.615 120.615 119.375 1.240 25067 1125 1 2 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.320 0.096 25067 1126 1 2 . 1 1 91 91 LYS C C 91 175.765 175.765 176.202 -0.437 25067 1127 1 2 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.476 0.703 25067 1128 1 2 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.042 -0.300 25067 1129 1 2 . 1 1 91 91 LYS H H 91 8.366 8.366 8.459 -0.093 25067 1130 1 2 . 1 1 92 92 GLN N N 92 119.273 119.273 118.005 1.268 25067 1131 1 2 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.456 0.705 25067 1132 1 2 . 1 1 92 92 GLN C C 92 175.136 175.136 175.870 -0.734 25067 1133 1 2 . 1 1 92 92 GLN CA C 92 54.110 54.110 54.728 -0.618 25067 1134 1 2 . 1 1 92 92 GLN CB C 92 30.681 30.681 29.940 0.741 25067 1135 1 2 . 1 1 92 92 GLN H H 92 8.495 8.495 8.297 0.198 25067 1136 1 2 . 1 1 93 93 SER N N 93 117.003 117.003 115.034 1.969 25067 1137 1 2 . 1 1 93 93 SER HA H 93 4.781 4.781 4.899 -0.118 25067 1138 1 2 . 1 1 93 93 SER C C 93 173.735 173.735 174.320 -0.585 25067 1139 1 2 . 1 1 93 93 SER CA C 93 57.819 57.819 57.429 0.390 25067 1140 1 2 . 1 1 93 93 SER CB C 93 64.648 64.648 64.464 0.184 25067 1141 1 2 . 1 1 93 93 SER H H 93 8.441 8.441 8.392 0.049 25067 1142 1 2 . 1 1 94 94 THR HA H 94 4.781 4.781 4.492 0.289 25067 1143 1 2 . 1 1 94 94 THR CA C 94 61.111 61.111 61.023 0.088 25067 1144 1 2 . 1 1 94 94 THR CB C 94 71.032 71.032 69.343 1.689 25067 1145 1 2 . 1 1 95 95 THR N N 95 119.923 119.923 126.039 -6.116 25067 1146 1 2 . 1 1 95 95 THR HA H 95 5.098 5.098 4.574 0.524 25067 1147 1 2 . 1 1 95 95 THR CA C 95 60.438 60.438 61.519 -1.081 25067 1148 1 2 . 1 1 95 95 THR CB C 95 70.780 70.780 69.737 1.043 25067 1149 1 2 . 1 1 95 95 THR H H 95 8.762 8.762 8.623 0.139 25067 1150 1 2 . 1 1 96 96 THR HA H 96 4.367 4.367 4.441 -0.074 25067 1151 1 2 . 1 1 96 96 THR CA C 96 61.740 61.740 62.039 -0.299 25067 1152 1 2 . 1 1 96 96 THR CB C 96 70.992 70.992 69.124 1.868 25067 1153 1 2 . 1 1 97 97 THR N N 97 120.315 120.315 118.015 2.300 25067 1154 1 2 . 1 1 97 97 THR HA H 97 5.363 5.363 4.817 0.546 25067 1155 1 2 . 1 1 97 97 THR CA C 97 61.379 61.379 61.456 -0.077 25067 1156 1 2 . 1 1 97 97 THR CB C 97 71.216 71.216 69.713 1.503 25067 1157 1 2 . 1 1 97 97 THR H H 97 8.999 8.999 8.531 0.468 25067 1158 1 2 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.757 0.435 25067 1159 1 2 . 1 1 98 98 ASP C C 98 175.672 175.672 175.941 -0.269 25067 1160 1 2 . 1 1 98 98 ASP CA C 98 52.593 52.593 53.041 -0.449 25067 1161 1 2 . 1 1 98 98 ASP CB C 98 41.735 41.735 43.330 -1.595 25067 1162 1 2 . 1 1 99 99 GLY N N 99 111.919 111.919 109.236 2.683 25067 1163 1 2 . 1 1 99 99 GLY C C 99 174.049 174.049 173.826 0.223 25067 1164 1 2 . 1 1 99 99 GLY CA C 99 45.026 45.026 45.445 -0.419 25067 1165 1 2 . 1 1 99 99 GLY H H 99 7.817 7.817 8.531 -0.714 25067 1166 1 2 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.863 -0.309 25067 1167 1 2 . 1 1 100 100 ASP C C 100 177.518 177.518 175.440 2.078 25067 1168 1 2 . 1 1 100 100 ASP CA C 100 57.488 57.488 55.117 2.371 25067 1169 1 2 . 1 1 100 100 ASP CB C 100 41.637 41.637 43.246 -1.609 25067 1170 1 2 . 1 1 101 101 THR N N 101 112.835 112.835 117.693 -4.858 25067 1171 1 2 . 1 1 101 101 THR HA H 101 4.613 4.613 4.925 -0.312 25067 1172 1 2 . 1 1 101 101 THR C C 101 173.003 173.003 173.545 -0.542 25067 1173 1 2 . 1 1 101 101 THR CA C 101 60.857 60.857 62.238 -1.381 25067 1174 1 2 . 1 1 101 101 THR CB C 101 70.589 70.589 70.071 0.518 25067 1175 1 2 . 1 1 101 101 THR H H 101 7.819 7.819 8.161 -0.342 25067 1176 1 2 . 1 1 102 102 PHE N N 102 126.633 126.633 129.505 -2.872 25067 1177 1 2 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.558 0.333 25067 1178 1 2 . 1 1 102 102 PHE C C 102 173.286 173.286 173.480 -0.194 25067 1179 1 2 . 1 1 102 102 PHE CA C 102 57.173 57.173 58.114 -0.941 25067 1180 1 2 . 1 1 102 102 PHE CB C 102 40.719 40.719 41.495 -0.776 25067 1181 1 2 . 1 1 102 102 PHE H H 102 8.581 8.581 8.729 -0.148 25067 1182 1 2 . 1 1 103 103 GLU N N 103 125.528 125.528 126.516 -0.988 25067 1183 1 2 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.258 -0.021 25067 1184 1 2 . 1 1 103 103 GLU C C 103 173.851 173.851 174.309 -0.458 25067 1185 1 2 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.223 -0.163 25067 1186 1 2 . 1 1 103 103 GLU CB C 103 34.318 34.318 34.521 -0.203 25067 1187 1 2 . 1 1 103 103 GLU H H 103 7.986 7.986 8.269 -0.283 25067 1188 1 2 . 1 1 104 104 VAL N N 104 124.582 124.582 124.671 -0.089 25067 1189 1 2 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.563 0.081 25067 1190 1 2 . 1 1 104 104 VAL C C 104 173.763 173.763 174.596 -0.833 25067 1191 1 2 . 1 1 104 104 VAL CA C 104 59.963 59.963 60.933 -0.970 25067 1192 1 2 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.742 0.628 25067 1193 1 2 . 1 1 104 104 VAL H H 104 9.245 9.245 8.874 0.371 25067 1194 1 2 . 1 1 105 105 GLU N N 105 127.755 127.755 128.940 -1.185 25067 1195 1 2 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.733 0.519 25067 1196 1 2 . 1 1 105 105 GLU C C 105 174.572 174.572 175.272 -0.700 25067 1197 1 2 . 1 1 105 105 GLU CA C 105 54.359 54.359 55.215 -0.856 25067 1198 1 2 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.188 1.630 25067 1199 1 2 . 1 1 105 105 GLU H H 105 9.040 9.040 8.717 0.323 25067 1200 1 2 . 1 1 106 106 VAL N N 106 127.452 127.452 125.936 1.516 25067 1201 1 2 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.220 0.548 25067 1202 1 2 . 1 1 106 106 VAL C C 106 174.692 174.692 174.765 -0.073 25067 1203 1 2 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.548 -1.125 25067 1204 1 2 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.953 2.189 25067 1205 1 2 . 1 1 106 106 VAL H H 106 9.315 9.315 8.477 0.838 25067 1206 1 2 . 1 1 107 107 ILE N N 107 127.006 127.006 128.677 -1.671 25067 1207 1 2 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.278 0.339 25067 1208 1 2 . 1 1 107 107 ILE C C 107 176.187 176.187 175.226 0.961 25067 1209 1 2 . 1 1 107 107 ILE CA C 107 60.406 60.406 60.968 -0.562 25067 1210 1 2 . 1 1 107 107 ILE CB C 107 38.521 38.521 37.737 0.784 25067 1211 1 2 . 1 1 107 107 ILE H H 107 8.814 8.814 8.338 0.476 25067 1212 1 2 . 1 1 108 108 LEU N N 108 128.313 128.313 129.621 -1.308 25067 1213 1 2 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.583 0.174 25067 1214 1 2 . 1 1 108 108 LEU C C 108 176.058 176.058 175.516 0.542 25067 1215 1 2 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.838 0.286 25067 1216 1 2 . 1 1 108 108 LEU CB C 108 43.074 43.074 42.424 0.650 25067 1217 1 2 . 1 1 108 108 LEU H H 108 8.652 8.652 8.421 0.231 25067 1218 1 2 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.551 -0.019 25067 1219 1 2 . 1 1 109 109 GLU C C 109 175.408 175.408 175.883 -0.475 25067 1220 1 2 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.508 -0.147 25067 1221 1 2 . 1 1 109 109 GLU CB C 109 30.647 30.647 30.214 0.433 25067 1222 1 2 . 1 1 110 110 LEU N N 110 125.467 125.467 126.615 -1.148 25067 1223 1 2 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.544 -0.143 25067 1224 1 2 . 1 1 110 110 LEU C C 110 176.854 176.854 176.288 0.566 25067 1225 1 2 . 1 1 110 110 LEU CA C 110 54.969 54.969 53.875 1.094 25067 1226 1 2 . 1 1 110 110 LEU CB C 110 42.515 42.515 40.925 1.590 25067 1227 1 2 . 1 1 110 110 LEU H H 110 8.402 8.402 8.563 -0.161 25067 1228 1 2 . 1 1 111 111 GLU N N 111 121.575 121.575 122.660 -1.085 25067 1229 1 2 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.077 0.184 25067 1230 1 2 . 1 1 111 111 GLU CA C 111 56.521 56.521 56.019 0.502 25067 1231 1 2 . 1 1 111 111 GLU CB C 111 30.291 30.291 28.674 1.617 25067 1232 1 2 . 1 1 111 111 GLU H H 111 8.607 8.607 8.038 0.569 25067 1233 1 3 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.930 -0.810 25067 1234 1 3 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.118 0.043 25067 1235 1 3 . 1 1 2 2 ALA CB C 2 19.392 19.392 20.600 -1.208 25067 1236 1 3 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.468 -0.090 25067 1237 1 3 . 1 1 4 4 LYS C C 4 176.563 176.563 175.293 1.270 25067 1238 1 3 . 1 1 4 4 LYS CA C 4 56.384 56.384 55.667 0.717 25067 1239 1 3 . 1 1 4 4 LYS CB C 4 33.156 33.156 34.704 -1.548 25067 1240 1 3 . 1 1 5 5 GLU N N 5 122.511 122.511 121.378 1.133 25067 1241 1 3 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.365 0.012 25067 1242 1 3 . 1 1 5 5 GLU C C 5 176.099 176.099 175.565 0.534 25067 1243 1 3 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.913 -0.529 25067 1244 1 3 . 1 1 5 5 GLU CB C 5 29.803 29.803 28.011 1.792 25067 1245 1 3 . 1 1 5 5 GLU H H 5 8.601 8.601 8.492 0.109 25067 1246 1 3 . 1 1 6 6 LEU N N 6 124.063 124.063 126.541 -2.478 25067 1247 1 3 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.234 0.165 25067 1248 1 3 . 1 1 6 6 LEU C C 6 175.082 175.082 174.960 0.122 25067 1249 1 3 . 1 1 6 6 LEU CA C 6 54.725 54.725 53.344 1.381 25067 1250 1 3 . 1 1 6 6 LEU CB C 6 42.213 42.213 42.201 0.012 25067 1251 1 3 . 1 1 6 6 LEU H H 6 8.409 8.409 7.791 0.618 25067 1252 1 3 . 1 1 7 7 ARG N N 7 122.244 122.244 124.160 -1.916 25067 1253 1 3 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.221 0.224 25067 1254 1 3 . 1 1 7 7 ARG C C 7 174.768 174.768 175.201 -0.433 25067 1255 1 3 . 1 1 7 7 ARG CA C 7 54.690 54.690 54.371 0.319 25067 1256 1 3 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.548 1.542 25067 1257 1 3 . 1 1 7 7 ARG H H 7 8.016 8.016 8.226 -0.210 25067 1258 1 3 . 1 1 8 8 VAL N N 8 123.767 123.767 119.045 4.722 25067 1259 1 3 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.532 -0.240 25067 1260 1 3 . 1 1 8 8 VAL C C 8 173.562 173.562 175.514 -1.952 25067 1261 1 3 . 1 1 8 8 VAL CA C 8 60.842 60.842 60.481 0.361 25067 1262 1 3 . 1 1 8 8 VAL CB C 8 34.184 34.184 33.595 0.589 25067 1263 1 3 . 1 1 8 8 VAL H H 8 8.659 8.659 8.388 0.271 25067 1264 1 3 . 1 1 9 9 GLU N N 9 127.779 127.779 128.053 -0.274 25067 1265 1 3 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.656 0.234 25067 1266 1 3 . 1 1 9 9 GLU C C 9 175.446 175.446 175.232 0.214 25067 1267 1 3 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.784 0.699 25067 1268 1 3 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.415 0.335 25067 1269 1 3 . 1 1 9 9 GLU H H 9 8.513 8.513 8.675 -0.162 25067 1270 1 3 . 1 1 10 10 ILE N N 10 127.770 127.770 125.293 2.477 25067 1271 1 3 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.428 0.472 25067 1272 1 3 . 1 1 10 10 ILE C C 10 174.981 174.981 175.232 -0.251 25067 1273 1 3 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.709 -1.285 25067 1274 1 3 . 1 1 10 10 ILE CB C 10 38.645 38.645 38.124 0.521 25067 1275 1 3 . 1 1 10 10 ILE H H 10 9.199 9.199 8.674 0.525 25067 1276 1 3 . 1 1 11 11 LYS N N 11 125.866 125.866 128.144 -2.278 25067 1277 1 3 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.114 0.324 25067 1278 1 3 . 1 1 11 11 LYS C C 11 175.835 175.835 174.781 1.054 25067 1279 1 3 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.303 0.514 25067 1280 1 3 . 1 1 11 11 LYS CB C 11 35.060 35.060 35.691 -0.631 25067 1281 1 3 . 1 1 11 11 LYS H H 11 9.257 9.257 8.938 0.319 25067 1282 1 3 . 1 1 12 12 ILE N N 12 121.799 121.799 125.853 -4.054 25067 1283 1 3 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.383 0.916 25067 1284 1 3 . 1 1 12 12 ILE C C 12 175.132 175.132 174.686 0.446 25067 1285 1 3 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.775 0.359 25067 1286 1 3 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.956 1.710 25067 1287 1 3 . 1 1 12 12 ILE H H 12 9.075 9.075 8.382 0.693 25067 1288 1 3 . 1 1 13 13 ASP N N 13 129.263 129.263 127.744 1.519 25067 1289 1 3 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.812 0.397 25067 1290 1 3 . 1 1 13 13 ASP C C 13 175.898 175.898 174.985 0.913 25067 1291 1 3 . 1 1 13 13 ASP CA C 13 52.731 52.731 52.855 -0.124 25067 1292 1 3 . 1 1 13 13 ASP CB C 13 43.750 43.750 43.284 0.466 25067 1293 1 3 . 1 1 13 13 ASP H H 13 9.415 9.415 8.478 0.937 25067 1294 1 3 . 1 1 14 14 CYS N N 14 122.767 122.767 124.603 -1.836 25067 1295 1 3 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.875 0.057 25067 1296 1 3 . 1 1 14 14 CYS C C 14 174.228 174.228 175.708 -1.480 25067 1297 1 3 . 1 1 14 14 CYS CA C 14 58.269 58.269 57.127 1.142 25067 1298 1 3 . 1 1 14 14 CYS CB C 14 28.447 28.447 28.323 0.124 25067 1299 1 3 . 1 1 14 14 CYS H H 14 9.274 9.274 8.584 0.690 25067 1300 1 3 . 1 1 15 15 GLY N N 15 110.606 110.606 116.589 -5.983 25067 1301 1 3 . 1 1 15 15 GLY C C 15 173.986 173.986 173.385 0.601 25067 1302 1 3 . 1 1 15 15 GLY CA C 15 45.892 45.892 46.097 -0.205 25067 1303 1 3 . 1 1 15 15 GLY H H 15 8.919 8.919 8.255 0.664 25067 1304 1 3 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.719 0.077 25067 1305 1 3 . 1 1 16 16 ASN C C 16 175.157 175.157 174.210 0.947 25067 1306 1 3 . 1 1 16 16 ASN CA C 16 53.181 53.181 53.225 -0.044 25067 1307 1 3 . 1 1 16 16 ASN CB C 16 38.955 38.955 39.080 -0.125 25067 1308 1 3 . 1 1 17 17 ASP N N 17 118.767 118.767 125.796 -7.029 25067 1309 1 3 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.426 0.163 25067 1310 1 3 . 1 1 17 17 ASP C C 17 175.493 175.493 176.646 -1.153 25067 1311 1 3 . 1 1 17 17 ASP CA C 17 54.533 54.533 56.248 -1.715 25067 1312 1 3 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.703 -0.711 25067 1313 1 3 . 1 1 17 17 ASP H H 17 8.409 8.409 8.719 -0.310 25067 1314 1 3 . 1 1 18 18 ASP N N 18 119.912 119.912 115.877 4.035 25067 1315 1 3 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.328 0.278 25067 1316 1 3 . 1 1 18 18 ASP C C 18 175.870 175.870 174.610 1.260 25067 1317 1 3 . 1 1 18 18 ASP CA C 18 54.242 54.242 55.620 -1.378 25067 1318 1 3 . 1 1 18 18 ASP CB C 18 41.116 41.116 40.102 1.014 25067 1319 1 3 . 1 1 18 18 ASP H H 18 8.291 8.291 8.071 0.220 25067 1320 1 3 . 1 1 19 19 LYS N N 19 120.828 120.828 117.551 3.277 25067 1321 1 3 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.463 -0.024 25067 1322 1 3 . 1 1 19 19 LYS C C 19 176.121 176.121 174.964 1.157 25067 1323 1 3 . 1 1 19 19 LYS CA C 19 55.646 55.646 54.414 1.232 25067 1324 1 3 . 1 1 19 19 LYS CB C 19 33.015 33.015 35.192 -2.177 25067 1325 1 3 . 1 1 19 19 LYS H H 19 8.140 8.140 7.553 0.587 25067 1326 1 3 . 1 1 20 20 GLU N N 20 123.292 123.292 122.806 0.486 25067 1327 1 3 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.225 0.315 25067 1328 1 3 . 1 1 20 20 GLU C C 20 176.413 176.413 175.668 0.745 25067 1329 1 3 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.736 -0.218 25067 1330 1 3 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.600 0.943 25067 1331 1 3 . 1 1 20 20 GLU H H 20 8.645 8.645 8.820 -0.175 25067 1332 1 3 . 1 1 21 21 THR N N 21 119.747 119.747 122.747 -3.000 25067 1333 1 3 . 1 1 21 21 THR HA H 21 4.517 4.517 4.503 0.014 25067 1334 1 3 . 1 1 21 21 THR C C 21 173.148 173.148 172.927 0.221 25067 1335 1 3 . 1 1 21 21 THR CA C 21 61.989 61.989 61.639 0.350 25067 1336 1 3 . 1 1 21 21 THR CB C 21 70.485 70.485 70.584 -0.099 25067 1337 1 3 . 1 1 21 21 THR H H 21 8.589 8.589 8.327 0.262 25067 1338 1 3 . 1 1 22 22 THR N N 22 119.539 119.539 121.445 -1.906 25067 1339 1 3 . 1 1 22 22 THR HA H 22 5.342 5.342 5.082 0.260 25067 1340 1 3 . 1 1 22 22 THR C C 22 173.148 173.148 173.244 -0.096 25067 1341 1 3 . 1 1 22 22 THR CA C 22 60.977 60.977 61.172 -0.195 25067 1342 1 3 . 1 1 22 22 THR CB C 22 70.490 70.490 71.529 -1.039 25067 1343 1 3 . 1 1 22 22 THR H H 22 8.191 8.191 8.074 0.117 25067 1344 1 3 . 1 1 23 23 TYR N N 23 123.279 123.279 123.885 -0.606 25067 1345 1 3 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.625 0.029 25067 1346 1 3 . 1 1 23 23 TYR C C 23 173.400 173.400 174.796 -1.396 25067 1347 1 3 . 1 1 23 23 TYR CA C 23 56.982 56.982 56.933 0.049 25067 1348 1 3 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.168 2.150 25067 1349 1 3 . 1 1 23 23 TYR H H 23 9.268 9.268 8.538 0.730 25067 1350 1 3 . 1 1 24 24 ASP N N 24 121.837 121.837 123.947 -2.110 25067 1351 1 3 . 1 1 24 24 ASP HA H 24 4.844 4.844 4.789 0.055 25067 1352 1 3 . 1 1 24 24 ASP C C 24 173.400 173.400 175.479 -2.079 25067 1353 1 3 . 1 1 24 24 ASP CA C 24 53.469 53.469 54.660 -1.191 25067 1354 1 3 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.546 0.395 25067 1355 1 3 . 1 1 24 24 ASP H H 24 8.484 8.484 8.606 -0.122 25067 1356 1 3 . 1 1 25 25 LEU N N 25 126.268 126.268 123.734 2.534 25067 1357 1 3 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.317 -0.217 25067 1358 1 3 . 1 1 25 25 LEU C C 25 174.677 174.677 176.503 -1.826 25067 1359 1 3 . 1 1 25 25 LEU CA C 25 52.733 52.733 54.860 -2.127 25067 1360 1 3 . 1 1 25 25 LEU CB C 25 42.626 42.626 42.790 -0.164 25067 1361 1 3 . 1 1 25 25 LEU H H 25 8.619 8.619 8.492 0.127 25067 1362 1 3 . 1 1 26 26 TYR N N 26 123.695 123.695 114.357 9.338 25067 1363 1 3 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.120 0.515 25067 1364 1 3 . 1 1 26 26 TYR C C 26 176.833 176.833 174.324 2.509 25067 1365 1 3 . 1 1 26 26 TYR CA C 26 56.282 56.282 58.477 -2.195 25067 1366 1 3 . 1 1 26 26 TYR CB C 26 38.143 38.143 37.357 0.786 25067 1367 1 3 . 1 1 26 26 TYR H H 26 8.465 8.465 7.543 0.922 25067 1368 1 3 . 1 1 27 27 PHE N N 27 119.951 119.951 120.506 -0.555 25067 1369 1 3 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.808 -0.022 25067 1370 1 3 . 1 1 27 27 PHE C C 27 176.205 176.205 175.711 0.494 25067 1371 1 3 . 1 1 27 27 PHE CA C 27 60.136 60.136 56.729 3.407 25067 1372 1 3 . 1 1 27 27 PHE CB C 27 38.455 38.455 41.871 -3.416 25067 1373 1 3 . 1 1 27 27 PHE H H 27 7.991 7.991 8.293 -0.302 25067 1374 1 3 . 1 1 28 28 SER N N 28 114.987 114.987 115.406 -0.419 25067 1375 1 3 . 1 1 28 28 SER HA H 28 4.455 4.455 4.751 -0.296 25067 1376 1 3 . 1 1 28 28 SER C C 28 174.517 174.517 173.580 0.937 25067 1377 1 3 . 1 1 28 28 SER CA C 28 59.489 59.489 57.939 1.550 25067 1378 1 3 . 1 1 28 28 SER CB C 28 62.828 62.828 64.926 -2.098 25067 1379 1 3 . 1 1 28 28 SER H H 28 8.508 8.508 8.730 -0.222 25067 1380 1 3 . 1 1 29 29 LYS N N 29 123.721 123.721 120.484 3.237 25067 1381 1 3 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.579 0.074 25067 1382 1 3 . 1 1 29 29 LYS C C 29 175.954 175.954 175.659 0.295 25067 1383 1 3 . 1 1 29 29 LYS CA C 29 54.695 54.695 55.119 -0.424 25067 1384 1 3 . 1 1 29 29 LYS CB C 29 31.548 31.548 35.895 -4.347 25067 1385 1 3 . 1 1 29 29 LYS H H 29 7.723 7.723 7.674 0.049 25067 1386 1 3 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.137 -0.065 25067 1387 1 3 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.107 0.440 25067 1388 1 3 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.169 0.602 25067 1389 1 3 . 1 1 31 31 GLU N N 31 117.703 117.703 119.251 -1.548 25067 1390 1 3 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.052 0.126 25067 1391 1 3 . 1 1 31 31 GLU C C 31 179.251 179.251 179.320 -0.069 25067 1392 1 3 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.906 -0.310 25067 1393 1 3 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.266 -0.667 25067 1394 1 3 . 1 1 31 31 GLU H H 31 9.034 9.034 8.747 0.287 25067 1395 1 3 . 1 1 32 32 GLU N N 32 121.084 121.084 119.532 1.552 25067 1396 1 3 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.178 0.007 25067 1397 1 3 . 1 1 32 32 GLU C C 32 179.251 179.251 178.818 0.433 25067 1398 1 3 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.959 0.258 25067 1399 1 3 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.350 -0.019 25067 1400 1 3 . 1 1 32 32 GLU H H 32 8.046 8.046 8.361 -0.315 25067 1401 1 3 . 1 1 33 33 ALA N N 33 122.906 122.906 123.264 -0.358 25067 1402 1 3 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.218 -0.128 25067 1403 1 3 . 1 1 33 33 ALA C C 33 180.244 180.244 179.283 0.961 25067 1404 1 3 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.450 0.069 25067 1405 1 3 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.368 -0.400 25067 1406 1 3 . 1 1 33 33 ALA H H 33 8.383 8.383 8.408 -0.025 25067 1407 1 3 . 1 1 34 34 LYS N N 34 119.560 119.560 118.741 0.819 25067 1408 1 3 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.170 0.020 25067 1409 1 3 . 1 1 34 34 LYS C C 34 179.198 179.198 178.693 0.505 25067 1410 1 3 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.442 0.039 25067 1411 1 3 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.535 -0.083 25067 1412 1 3 . 1 1 34 34 LYS H H 34 7.885 7.885 8.163 -0.278 25067 1413 1 3 . 1 1 35 35 GLU N N 35 121.053 121.053 120.856 0.197 25067 1414 1 3 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.147 0.034 25067 1415 1 3 . 1 1 35 35 GLU C C 35 179.288 179.288 179.070 0.218 25067 1416 1 3 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.216 0.175 25067 1417 1 3 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.148 0.196 25067 1418 1 3 . 1 1 35 35 GLU H H 35 8.042 8.042 7.878 0.164 25067 1419 1 3 . 1 1 36 36 LEU N N 36 121.053 121.053 119.893 1.160 25067 1420 1 3 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.317 -0.080 25067 1421 1 3 . 1 1 36 36 LEU C C 36 177.982 177.982 179.461 -1.479 25067 1422 1 3 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.291 0.446 25067 1423 1 3 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.084 0.857 25067 1424 1 3 . 1 1 36 36 LEU H H 36 8.434 8.434 7.791 0.643 25067 1425 1 3 . 1 1 37 37 LEU N N 37 120.035 120.035 121.779 -1.744 25067 1426 1 3 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.816 -0.200 25067 1427 1 3 . 1 1 37 37 LEU C C 37 178.070 178.070 178.354 -0.284 25067 1428 1 3 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.848 0.701 25067 1429 1 3 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.658 0.490 25067 1430 1 3 . 1 1 37 37 LEU H H 37 7.883 7.883 8.684 -0.801 25067 1431 1 3 . 1 1 38 38 LYS N N 38 116.604 116.604 118.941 -2.337 25067 1432 1 3 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.886 -0.090 25067 1433 1 3 . 1 1 38 38 LYS C C 38 178.246 178.246 178.751 -0.505 25067 1434 1 3 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.775 -0.260 25067 1435 1 3 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.256 0.339 25067 1436 1 3 . 1 1 38 38 LYS H H 38 7.102 7.102 8.081 -0.979 25067 1437 1 3 . 1 1 39 39 LYS N N 39 118.823 118.823 119.094 -0.271 25067 1438 1 3 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.005 0.150 25067 1439 1 3 . 1 1 39 39 LYS C C 39 179.464 179.464 179.104 0.360 25067 1440 1 3 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.614 -0.488 25067 1441 1 3 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.462 0.232 25067 1442 1 3 . 1 1 39 39 LYS H H 39 7.752 7.752 7.642 0.110 25067 1443 1 3 . 1 1 40 40 VAL N N 40 119.336 119.336 119.300 0.036 25067 1444 1 3 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.573 -0.220 25067 1445 1 3 . 1 1 40 40 VAL C C 40 178.612 178.612 177.862 0.750 25067 1446 1 3 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.358 -0.022 25067 1447 1 3 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.381 -0.229 25067 1448 1 3 . 1 1 40 40 VAL H H 40 8.925 8.925 8.136 0.789 25067 1449 1 3 . 1 1 41 41 ALA N N 41 120.709 120.709 122.426 -1.717 25067 1450 1 3 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.911 -0.016 25067 1451 1 3 . 1 1 41 41 ALA C C 41 179.163 179.163 179.711 -0.548 25067 1452 1 3 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.294 -0.268 25067 1453 1 3 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.209 0.486 25067 1454 1 3 . 1 1 41 41 ALA H H 41 8.001 8.001 7.847 0.154 25067 1455 1 3 . 1 1 42 42 GLU N N 42 117.330 117.330 118.146 -0.816 25067 1456 1 3 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.024 -0.088 25067 1457 1 3 . 1 1 42 42 GLU C C 42 179.452 179.452 179.309 0.143 25067 1458 1 3 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.215 0.396 25067 1459 1 3 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.681 0.058 25067 1460 1 3 . 1 1 42 42 GLU H H 42 8.197 8.197 7.745 0.452 25067 1461 1 3 . 1 1 43 43 LYS N N 43 119.586 119.586 118.743 0.843 25067 1462 1 3 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.434 -0.236 25067 1463 1 3 . 1 1 43 43 LYS C C 43 179.595 179.595 179.051 0.544 25067 1464 1 3 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.724 1.045 25067 1465 1 3 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.780 0.291 25067 1466 1 3 . 1 1 43 43 LYS H H 43 8.119 8.119 8.111 0.008 25067 1467 1 3 . 1 1 44 44 ALA N N 44 121.948 121.948 121.121 0.827 25067 1468 1 3 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.109 0.157 25067 1469 1 3 . 1 1 44 44 ALA C C 44 178.937 178.937 178.865 0.072 25067 1470 1 3 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.770 0.220 25067 1471 1 3 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.171 -0.370 25067 1472 1 3 . 1 1 44 44 ALA H H 44 8.396 8.396 7.985 0.411 25067 1473 1 3 . 1 1 45 45 ALA N N 45 118.814 118.814 120.995 -2.181 25067 1474 1 3 . 1 1 45 45 ALA HA H 45 3.957 3.957 4.005 -0.048 25067 1475 1 3 . 1 1 45 45 ALA C C 45 178.887 178.887 179.527 -0.640 25067 1476 1 3 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.993 0.575 25067 1477 1 3 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.175 -0.148 25067 1478 1 3 . 1 1 45 45 ALA H H 45 8.519 8.519 7.771 0.748 25067 1479 1 3 . 1 1 46 46 ASP N N 46 116.930 116.930 118.794 -1.864 25067 1480 1 3 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.390 0.009 25067 1481 1 3 . 1 1 46 46 ASP C C 46 178.020 178.020 178.742 -0.722 25067 1482 1 3 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.431 0.209 25067 1483 1 3 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.363 1.473 25067 1484 1 3 . 1 1 46 46 ASP H H 46 7.852 7.852 8.039 -0.187 25067 1485 1 3 . 1 1 47 47 LYS N N 47 119.467 119.467 118.884 0.583 25067 1486 1 3 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.154 -0.061 25067 1487 1 3 . 1 1 47 47 LYS C C 47 178.924 178.924 178.863 0.061 25067 1488 1 3 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.253 1.419 25067 1489 1 3 . 1 1 47 47 LYS CB C 47 32.511 32.511 31.950 0.561 25067 1490 1 3 . 1 1 47 47 LYS H H 47 7.692 7.692 7.345 0.347 25067 1491 1 3 . 1 1 48 48 ILE N N 48 119.929 119.929 118.962 0.967 25067 1492 1 3 . 1 1 48 48 ILE HA H 48 3.740 3.740 4.012 -0.272 25067 1493 1 3 . 1 1 48 48 ILE C C 48 179.025 179.025 178.525 0.500 25067 1494 1 3 . 1 1 48 48 ILE CA C 48 64.978 64.978 64.516 0.462 25067 1495 1 3 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.917 0.375 25067 1496 1 3 . 1 1 48 48 ILE H H 48 8.585 8.585 7.845 0.740 25067 1497 1 3 . 1 1 49 49 LYS N N 49 119.534 119.534 120.179 -0.645 25067 1498 1 3 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.047 -0.030 25067 1499 1 3 . 1 1 49 49 LYS C C 49 179.025 179.025 178.612 0.413 25067 1500 1 3 . 1 1 49 49 LYS CA C 49 59.647 59.647 59.139 0.508 25067 1501 1 3 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.449 0.152 25067 1502 1 3 . 1 1 49 49 LYS H H 49 8.353 8.353 7.943 0.410 25067 1503 1 3 . 1 1 50 50 LYS N N 50 117.423 117.423 116.477 0.946 25067 1504 1 3 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.165 0.051 25067 1505 1 3 . 1 1 50 50 LYS C C 50 178.510 178.510 176.959 1.551 25067 1506 1 3 . 1 1 50 50 LYS CA C 50 58.497 58.497 57.478 1.019 25067 1507 1 3 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.178 0.144 25067 1508 1 3 . 1 1 50 50 LYS H H 50 7.996 7.996 7.729 0.267 25067 1509 1 3 . 1 1 51 51 GLN N N 51 115.137 115.137 116.498 -1.361 25067 1510 1 3 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.517 -0.036 25067 1511 1 3 . 1 1 51 51 GLN C C 51 177.292 177.292 174.650 2.642 25067 1512 1 3 . 1 1 51 51 GLN CA C 51 56.007 56.007 54.569 1.438 25067 1513 1 3 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.941 -2.001 25067 1514 1 3 . 1 1 51 51 GLN H H 51 8.384 8.384 7.450 0.934 25067 1515 1 3 . 1 1 52 52 GLY N N 52 109.119 109.119 109.439 -0.320 25067 1516 1 3 . 1 1 52 52 GLY C C 52 174.391 174.391 174.628 -0.237 25067 1517 1 3 . 1 1 52 52 GLY CA C 52 46.560 46.560 44.992 1.568 25067 1518 1 3 . 1 1 52 52 GLY H H 52 8.218 8.218 8.493 -0.275 25067 1519 1 3 . 1 1 53 53 CYS N N 53 116.935 116.935 119.029 -2.094 25067 1520 1 3 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.539 -0.054 25067 1521 1 3 . 1 1 53 53 CYS C C 53 173.989 173.989 174.682 -0.693 25067 1522 1 3 . 1 1 53 53 CYS CA C 53 58.148 58.148 57.395 0.753 25067 1523 1 3 . 1 1 53 53 CYS CB C 53 28.714 28.714 30.459 -1.745 25067 1524 1 3 . 1 1 53 53 CYS H H 53 7.623 7.623 7.963 -0.340 25067 1525 1 3 . 1 1 54 54 LYS N N 54 120.659 120.659 120.561 0.098 25067 1526 1 3 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.623 -0.123 25067 1527 1 3 . 1 1 54 54 LYS C C 54 174.793 174.793 175.644 -0.851 25067 1528 1 3 . 1 1 54 54 LYS CA C 54 56.326 56.326 56.108 0.218 25067 1529 1 3 . 1 1 54 54 LYS CB C 54 33.710 33.710 36.062 -2.353 25067 1530 1 3 . 1 1 54 54 LYS H H 54 8.765 8.765 8.293 0.472 25067 1531 1 3 . 1 1 55 55 ARG N N 55 117.927 117.927 120.316 -2.389 25067 1532 1 3 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.724 0.719 25067 1533 1 3 . 1 1 55 55 ARG C C 55 174.517 174.517 173.675 0.842 25067 1534 1 3 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.442 -0.853 25067 1535 1 3 . 1 1 55 55 ARG CB C 55 33.616 33.616 33.604 0.012 25067 1536 1 3 . 1 1 55 55 ARG H H 55 7.603 7.603 7.567 0.036 25067 1537 1 3 . 1 1 56 56 VAL N N 56 122.079 122.079 125.099 -3.020 25067 1538 1 3 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.759 0.066 25067 1539 1 3 . 1 1 56 56 VAL C C 56 173.311 173.311 174.843 -1.532 25067 1540 1 3 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.369 -0.084 25067 1541 1 3 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.529 0.401 25067 1542 1 3 . 1 1 56 56 VAL H H 56 8.853 8.853 8.861 -0.008 25067 1543 1 3 . 1 1 57 57 LYS N N 57 125.849 125.849 126.037 -0.188 25067 1544 1 3 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.877 0.727 25067 1545 1 3 . 1 1 57 57 LYS C C 57 174.881 174.881 174.812 0.069 25067 1546 1 3 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.288 -0.550 25067 1547 1 3 . 1 1 57 57 LYS CB C 57 35.935 35.935 35.749 0.186 25067 1548 1 3 . 1 1 57 57 LYS H H 57 8.819 8.819 9.006 -0.187 25067 1549 1 3 . 1 1 58 58 ILE N N 58 125.213 125.213 125.948 -0.735 25067 1550 1 3 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.427 0.740 25067 1551 1 3 . 1 1 58 58 ILE C C 58 174.981 174.981 174.422 0.559 25067 1552 1 3 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.896 -0.300 25067 1553 1 3 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.932 1.927 25067 1554 1 3 . 1 1 58 58 ILE H H 58 9.204 9.204 8.804 0.400 25067 1555 1 3 . 1 1 59 59 ARG N N 59 124.047 124.047 128.924 -4.877 25067 1556 1 3 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.463 0.638 25067 1557 1 3 . 1 1 59 59 ARG C C 59 175.144 175.144 174.380 0.764 25067 1558 1 3 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.466 -0.375 25067 1559 1 3 . 1 1 59 59 ARG CB C 59 36.035 36.035 34.333 1.702 25067 1560 1 3 . 1 1 59 59 ARG H H 59 9.467 9.467 8.974 0.493 25067 1561 1 3 . 1 1 60 60 PHE N N 60 113.223 113.223 125.819 -12.596 25067 1562 1 3 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.915 0.289 25067 1563 1 3 . 1 1 60 60 PHE C C 60 173.110 173.110 173.114 -0.004 25067 1564 1 3 . 1 1 60 60 PHE CA C 60 56.931 56.931 57.358 -0.427 25067 1565 1 3 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.690 -1.310 25067 1566 1 3 . 1 1 60 60 PHE H H 60 8.451 8.451 8.867 -0.416 25067 1567 1 3 . 1 1 61 61 GLU N N 61 121.333 121.333 125.584 -4.251 25067 1568 1 3 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.202 0.442 25067 1569 1 3 . 1 1 61 61 GLU C C 61 177.147 177.147 175.278 1.869 25067 1570 1 3 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.469 -0.505 25067 1571 1 3 . 1 1 61 61 GLU CB C 61 30.698 30.698 29.792 0.906 25067 1572 1 3 . 1 1 61 61 GLU H H 61 9.572 9.572 8.193 1.379 25067 1573 1 3 . 1 1 62 62 LYS N N 62 121.311 121.311 124.315 -3.004 25067 1574 1 3 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.360 -0.017 25067 1575 1 3 . 1 1 62 62 LYS C C 62 177.398 177.398 175.912 1.486 25067 1576 1 3 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.065 3.120 25067 1577 1 3 . 1 1 62 62 LYS CB C 62 32.937 32.937 32.099 0.838 25067 1578 1 3 . 1 1 62 62 LYS H H 62 8.160 8.160 8.703 -0.543 25067 1579 1 3 . 1 1 63 63 LYS N N 63 120.742 120.742 118.353 2.389 25067 1580 1 3 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.368 -0.250 25067 1581 1 3 . 1 1 63 63 LYS C C 63 177.015 177.015 177.972 -0.957 25067 1582 1 3 . 1 1 63 63 LYS CA C 63 58.693 58.693 56.969 1.724 25067 1583 1 3 . 1 1 63 63 LYS CB C 63 31.677 31.677 32.619 -0.942 25067 1584 1 3 . 1 1 63 63 LYS H H 63 8.028 8.028 7.663 0.365 25067 1585 1 3 . 1 1 64 64 GLY C C 64 174.039 174.039 173.798 0.241 25067 1586 1 3 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.091 -0.228 25067 1587 1 3 . 1 1 65 65 LEU N N 65 119.849 119.849 115.773 4.076 25067 1588 1 3 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.720 -0.096 25067 1589 1 3 . 1 1 65 65 LEU C C 65 177.493 177.493 175.525 1.968 25067 1590 1 3 . 1 1 65 65 LEU CA C 65 54.128 54.128 53.116 1.012 25067 1591 1 3 . 1 1 65 65 LEU CB C 65 43.686 43.686 44.232 -0.546 25067 1592 1 3 . 1 1 65 65 LEU H H 65 7.836 7.836 7.321 0.515 25067 1593 1 3 . 1 1 66 66 ASP N N 66 123.296 123.296 117.800 5.496 25067 1594 1 3 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.777 -0.105 25067 1595 1 3 . 1 1 66 66 ASP C C 66 175.471 175.471 176.337 -0.866 25067 1596 1 3 . 1 1 66 66 ASP CA C 66 52.820 52.820 52.779 0.041 25067 1597 1 3 . 1 1 66 66 ASP CB C 66 41.017 41.017 43.943 -2.926 25067 1598 1 3 . 1 1 66 66 ASP H H 66 8.226 8.226 7.917 0.309 25067 1599 1 3 . 1 1 67 67 ASP N N 67 118.859 118.859 120.915 -2.056 25067 1600 1 3 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.286 -0.043 25067 1601 1 3 . 1 1 67 67 ASP C C 67 178.121 178.121 177.723 0.398 25067 1602 1 3 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.069 1.404 25067 1603 1 3 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.110 -0.043 25067 1604 1 3 . 1 1 67 67 ASP H H 67 8.529 8.529 8.619 -0.090 25067 1605 1 3 . 1 1 68 68 ASP N N 68 119.187 119.187 119.724 -0.537 25067 1606 1 3 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.354 -0.014 25067 1607 1 3 . 1 1 68 68 ASP C C 68 177.807 177.807 178.199 -0.392 25067 1608 1 3 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.518 -0.037 25067 1609 1 3 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.787 0.672 25067 1610 1 3 . 1 1 68 68 ASP H H 68 8.244 8.244 8.135 0.109 25067 1611 1 3 . 1 1 69 69 ALA N N 69 122.537 122.537 121.193 1.344 25067 1612 1 3 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.093 -0.465 25067 1613 1 3 . 1 1 69 69 ALA C C 69 179.452 179.452 179.587 -0.135 25067 1614 1 3 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.627 0.389 25067 1615 1 3 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.448 0.715 25067 1616 1 3 . 1 1 69 69 ALA H H 69 8.191 8.191 8.062 0.129 25067 1617 1 3 . 1 1 70 70 ARG N N 70 115.799 115.799 119.295 -3.496 25067 1618 1 3 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.896 -0.173 25067 1619 1 3 . 1 1 70 70 ARG C C 70 178.183 178.183 177.987 0.196 25067 1620 1 3 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.546 0.802 25067 1621 1 3 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.213 0.399 25067 1622 1 3 . 1 1 70 70 ARG H H 70 8.419 8.419 8.395 0.024 25067 1623 1 3 . 1 1 71 71 LYS N N 71 118.170 118.170 118.671 -0.501 25067 1624 1 3 . 1 1 71 71 LYS HA H 71 3.837 3.837 4.006 -0.169 25067 1625 1 3 . 1 1 71 71 LYS C C 71 179.891 179.891 178.867 1.024 25067 1626 1 3 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.050 0.600 25067 1627 1 3 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.128 0.291 25067 1628 1 3 . 1 1 71 71 LYS H H 71 7.781 7.781 7.859 -0.078 25067 1629 1 3 . 1 1 72 72 LYS N N 72 119.730 119.730 117.391 2.339 25067 1630 1 3 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.043 -0.307 25067 1631 1 3 . 1 1 72 72 LYS C C 72 178.874 178.874 178.497 0.377 25067 1632 1 3 . 1 1 72 72 LYS CA C 72 59.573 59.573 59.264 0.309 25067 1633 1 3 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.944 0.449 25067 1634 1 3 . 1 1 72 72 LYS H H 72 7.835 7.835 7.589 0.246 25067 1635 1 3 . 1 1 73 73 ALA N N 73 123.068 123.068 122.293 0.775 25067 1636 1 3 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.585 0.170 25067 1637 1 3 . 1 1 73 73 ALA C C 73 178.246 178.246 179.035 -0.789 25067 1638 1 3 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.223 1.127 25067 1639 1 3 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.567 0.080 25067 1640 1 3 . 1 1 73 73 ALA H H 73 8.343 8.343 7.612 0.731 25067 1641 1 3 . 1 1 74 74 LYS N N 74 117.936 117.936 119.449 -1.513 25067 1642 1 3 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.852 -0.208 25067 1643 1 3 . 1 1 74 74 LYS C C 74 177.694 177.694 178.362 -0.668 25067 1644 1 3 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.595 0.726 25067 1645 1 3 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.248 0.426 25067 1646 1 3 . 1 1 74 74 LYS H H 74 7.934 7.934 7.961 -0.027 25067 1647 1 3 . 1 1 75 75 LYS N N 75 116.863 116.863 118.953 -2.090 25067 1648 1 3 . 1 1 75 75 LYS HA H 75 3.979 3.979 3.972 0.007 25067 1649 1 3 . 1 1 75 75 LYS C C 75 178.884 178.884 178.586 0.298 25067 1650 1 3 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.393 0.016 25067 1651 1 3 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.186 0.311 25067 1652 1 3 . 1 1 75 75 LYS H H 75 7.371 7.371 7.603 -0.232 25067 1653 1 3 . 1 1 76 76 TRP N N 76 121.108 121.108 121.111 -0.003 25067 1654 1 3 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.165 0.032 25067 1655 1 3 . 1 1 76 76 TRP C C 76 177.618 177.618 177.830 -0.212 25067 1656 1 3 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.389 0.337 25067 1657 1 3 . 1 1 76 76 TRP CB C 76 29.993 29.993 28.994 0.999 25067 1658 1 3 . 1 1 76 76 TRP H H 76 8.156 8.156 7.844 0.312 25067 1659 1 3 . 1 1 77 77 ALA N N 77 120.099 120.099 120.373 -0.274 25067 1660 1 3 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.898 0.201 25067 1661 1 3 . 1 1 77 77 ALA C C 77 179.125 179.125 179.944 -0.819 25067 1662 1 3 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.831 0.817 25067 1663 1 3 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.427 -0.108 25067 1664 1 3 . 1 1 77 77 ALA H H 77 8.883 8.883 7.981 0.902 25067 1665 1 3 . 1 1 78 78 LEU N N 78 116.584 116.584 119.990 -3.406 25067 1666 1 3 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.915 0.216 25067 1667 1 3 . 1 1 78 78 LEU C C 78 179.828 179.828 179.196 0.632 25067 1668 1 3 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.949 -0.106 25067 1669 1 3 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.843 -0.144 25067 1670 1 3 . 1 1 78 78 LEU H H 78 8.238 8.238 7.908 0.330 25067 1671 1 3 . 1 1 79 79 GLU N N 79 121.435 121.435 119.096 2.339 25067 1672 1 3 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.953 0.150 25067 1673 1 3 . 1 1 79 79 GLU C C 79 180.004 180.004 179.276 0.728 25067 1674 1 3 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.340 0.030 25067 1675 1 3 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.548 -0.426 25067 1676 1 3 . 1 1 79 79 GLU H H 79 8.296 8.296 7.778 0.518 25067 1677 1 3 . 1 1 80 80 VAL N N 80 122.863 122.863 119.710 3.153 25067 1678 1 3 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.477 -0.121 25067 1679 1 3 . 1 1 80 80 VAL C C 80 177.044 177.044 177.309 -0.265 25067 1680 1 3 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.137 0.332 25067 1681 1 3 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.860 -0.162 25067 1682 1 3 . 1 1 80 80 VAL H H 80 8.603 8.603 7.838 0.765 25067 1683 1 3 . 1 1 81 81 ALA N N 81 122.490 122.490 123.102 -0.612 25067 1684 1 3 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.843 -0.110 25067 1685 1 3 . 1 1 81 81 ALA C C 81 178.529 178.529 179.358 -0.829 25067 1686 1 3 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.650 -0.005 25067 1687 1 3 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.217 0.198 25067 1688 1 3 . 1 1 81 81 ALA H H 81 7.684 7.684 7.892 -0.208 25067 1689 1 3 . 1 1 82 82 ASN N N 82 114.569 114.569 114.969 -0.400 25067 1690 1 3 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.470 -0.092 25067 1691 1 3 . 1 1 82 82 ASN C C 82 177.505 177.505 177.637 -0.132 25067 1692 1 3 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.823 0.380 25067 1693 1 3 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.550 0.284 25067 1694 1 3 . 1 1 82 82 ASN H H 82 7.752 7.752 8.079 -0.327 25067 1695 1 3 . 1 1 83 83 LYS N N 83 121.384 121.384 121.999 -0.615 25067 1696 1 3 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.066 0.028 25067 1697 1 3 . 1 1 83 83 LYS C C 83 179.037 179.037 178.449 0.588 25067 1698 1 3 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.547 0.528 25067 1699 1 3 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.836 0.312 25067 1700 1 3 . 1 1 83 83 LYS H H 83 8.343 8.343 7.572 0.771 25067 1701 1 3 . 1 1 84 84 ILE N N 84 120.298 120.298 119.004 1.294 25067 1702 1 3 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.640 -0.155 25067 1703 1 3 . 1 1 84 84 ILE C C 84 177.063 177.063 177.762 -0.699 25067 1704 1 3 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.495 0.693 25067 1705 1 3 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.831 0.557 25067 1706 1 3 . 1 1 84 84 ILE H H 84 8.496 8.496 7.810 0.686 25067 1707 1 3 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.882 -0.066 25067 1708 1 3 . 1 1 85 85 ALA C C 85 179.891 179.891 178.933 0.958 25067 1709 1 3 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.224 0.567 25067 1710 1 3 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.184 -0.136 25067 1711 1 3 . 1 1 85 85 ALA H H 85 7.768 7.768 7.825 -0.057 25067 1712 1 3 . 1 1 86 86 ASN N N 86 116.155 116.155 115.783 0.372 25067 1713 1 3 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.499 0.036 25067 1714 1 3 . 1 1 86 86 ASN C C 86 178.423 178.423 177.384 1.039 25067 1715 1 3 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.664 0.442 25067 1716 1 3 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.766 0.018 25067 1717 1 3 . 1 1 86 86 ASN H H 86 8.355 8.355 7.859 0.496 25067 1718 1 3 . 1 1 87 87 GLU N N 87 120.806 120.806 118.506 2.300 25067 1719 1 3 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.081 0.095 25067 1720 1 3 . 1 1 87 87 GLU C C 87 178.381 178.381 178.302 0.079 25067 1721 1 3 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.307 0.602 25067 1722 1 3 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.428 0.224 25067 1723 1 3 . 1 1 87 87 GLU H H 87 8.431 8.431 8.083 0.348 25067 1724 1 3 . 1 1 88 88 LEU N N 88 115.825 115.825 116.368 -0.543 25067 1725 1 3 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.404 -0.048 25067 1726 1 3 . 1 1 88 88 LEU C C 88 177.442 177.442 178.064 -0.622 25067 1727 1 3 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.236 -0.659 25067 1728 1 3 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.714 0.786 25067 1729 1 3 . 1 1 88 88 LEU H H 88 7.547 7.547 7.676 -0.129 25067 1730 1 3 . 1 1 89 89 GLY N N 89 109.579 109.579 106.366 3.213 25067 1731 1 3 . 1 1 89 89 GLY C C 89 174.321 174.321 174.287 0.034 25067 1732 1 3 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.858 0.650 25067 1733 1 3 . 1 1 89 89 GLY H H 89 7.934 7.934 7.605 0.329 25067 1734 1 3 . 1 1 90 90 ALA N N 90 120.990 120.990 121.469 -0.479 25067 1735 1 3 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.136 0.513 25067 1736 1 3 . 1 1 90 90 ALA C C 90 177.053 177.053 176.729 0.324 25067 1737 1 3 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.152 -2.078 25067 1738 1 3 . 1 1 90 90 ALA CB C 90 21.819 21.819 20.394 1.425 25067 1739 1 3 . 1 1 90 90 ALA H H 90 8.017 8.017 7.582 0.435 25067 1740 1 3 . 1 1 91 91 LYS N N 91 120.615 120.615 118.565 2.050 25067 1741 1 3 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.593 -0.177 25067 1742 1 3 . 1 1 91 91 LYS C C 91 175.765 175.765 175.982 -0.217 25067 1743 1 3 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.157 1.022 25067 1744 1 3 . 1 1 91 91 LYS CB C 91 32.742 32.742 34.775 -2.033 25067 1745 1 3 . 1 1 91 91 LYS H H 91 8.366 8.366 8.010 0.356 25067 1746 1 3 . 1 1 92 92 GLN N N 92 119.273 119.273 118.246 1.027 25067 1747 1 3 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.661 0.500 25067 1748 1 3 . 1 1 92 92 GLN C C 92 175.136 175.136 175.459 -0.323 25067 1749 1 3 . 1 1 92 92 GLN CA C 92 54.110 54.110 54.704 -0.594 25067 1750 1 3 . 1 1 92 92 GLN CB C 92 30.681 30.681 30.696 -0.015 25067 1751 1 3 . 1 1 92 92 GLN H H 92 8.495 8.495 8.407 0.088 25067 1752 1 3 . 1 1 93 93 SER N N 93 117.003 117.003 113.284 3.719 25067 1753 1 3 . 1 1 93 93 SER HA H 93 4.781 4.781 4.721 0.060 25067 1754 1 3 . 1 1 93 93 SER C C 93 173.735 173.735 174.191 -0.456 25067 1755 1 3 . 1 1 93 93 SER CA C 93 57.819 57.819 56.872 0.947 25067 1756 1 3 . 1 1 93 93 SER CB C 93 64.648 64.648 64.707 -0.058 25067 1757 1 3 . 1 1 93 93 SER H H 93 8.441 8.441 8.251 0.190 25067 1758 1 3 . 1 1 94 94 THR HA H 94 4.781 4.781 4.558 0.223 25067 1759 1 3 . 1 1 94 94 THR CA C 94 61.111 61.111 61.284 -0.173 25067 1760 1 3 . 1 1 94 94 THR CB C 94 71.032 71.032 70.301 0.731 25067 1761 1 3 . 1 1 95 95 THR N N 95 119.923 119.923 124.497 -4.574 25067 1762 1 3 . 1 1 95 95 THR HA H 95 5.098 5.098 4.677 0.421 25067 1763 1 3 . 1 1 95 95 THR CA C 95 60.438 60.438 61.542 -1.104 25067 1764 1 3 . 1 1 95 95 THR CB C 95 70.780 70.780 70.901 -0.121 25067 1765 1 3 . 1 1 95 95 THR H H 95 8.762 8.762 8.493 0.269 25067 1766 1 3 . 1 1 96 96 THR HA H 96 4.367 4.367 4.494 -0.127 25067 1767 1 3 . 1 1 96 96 THR CA C 96 61.740 61.740 62.098 -0.358 25067 1768 1 3 . 1 1 96 96 THR CB C 96 70.992 70.992 69.039 1.953 25067 1769 1 3 . 1 1 97 97 THR N N 97 120.315 120.315 119.110 1.205 25067 1770 1 3 . 1 1 97 97 THR HA H 97 5.363 5.363 4.655 0.708 25067 1771 1 3 . 1 1 97 97 THR CA C 97 61.379 61.379 61.810 -0.431 25067 1772 1 3 . 1 1 97 97 THR CB C 97 71.216 71.216 70.152 1.064 25067 1773 1 3 . 1 1 97 97 THR H H 97 8.999 8.999 8.414 0.585 25067 1774 1 3 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.350 0.842 25067 1775 1 3 . 1 1 98 98 ASP C C 98 175.672 175.672 177.102 -1.430 25067 1776 1 3 . 1 1 98 98 ASP CA C 98 52.593 52.593 56.172 -3.579 25067 1777 1 3 . 1 1 98 98 ASP CB C 98 41.735 41.735 40.622 1.113 25067 1778 1 3 . 1 1 99 99 GLY N N 99 111.919 111.919 109.024 2.895 25067 1779 1 3 . 1 1 99 99 GLY C C 99 174.049 174.049 173.831 0.218 25067 1780 1 3 . 1 1 99 99 GLY CA C 99 45.026 45.026 45.592 -0.566 25067 1781 1 3 . 1 1 99 99 GLY H H 99 7.817 7.817 8.588 -0.771 25067 1782 1 3 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.847 -0.293 25067 1783 1 3 . 1 1 100 100 ASP C C 100 177.518 177.518 174.874 2.644 25067 1784 1 3 . 1 1 100 100 ASP CA C 100 57.488 57.488 54.368 3.120 25067 1785 1 3 . 1 1 100 100 ASP CB C 100 41.637 41.637 42.061 -0.424 25067 1786 1 3 . 1 1 101 101 THR N N 101 112.835 112.835 115.989 -3.154 25067 1787 1 3 . 1 1 101 101 THR HA H 101 4.613 4.613 3.907 0.706 25067 1788 1 3 . 1 1 101 101 THR C C 101 173.003 173.003 173.500 -0.497 25067 1789 1 3 . 1 1 101 101 THR CA C 101 60.857 60.857 63.795 -2.938 25067 1790 1 3 . 1 1 101 101 THR CB C 101 70.589 70.589 68.963 1.627 25067 1791 1 3 . 1 1 101 101 THR H H 101 7.819 7.819 8.460 -0.641 25067 1792 1 3 . 1 1 102 102 PHE N N 102 126.633 126.633 126.970 -0.337 25067 1793 1 3 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.653 0.238 25067 1794 1 3 . 1 1 102 102 PHE C C 102 173.286 173.286 173.908 -0.622 25067 1795 1 3 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.862 -0.689 25067 1796 1 3 . 1 1 102 102 PHE CB C 102 40.719 40.719 40.832 -0.113 25067 1797 1 3 . 1 1 102 102 PHE H H 102 8.581 8.581 8.502 0.079 25067 1798 1 3 . 1 1 103 103 GLU N N 103 125.528 125.528 129.461 -3.933 25067 1799 1 3 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.352 -0.115 25067 1800 1 3 . 1 1 103 103 GLU C C 103 173.851 173.851 174.400 -0.549 25067 1801 1 3 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.231 -0.171 25067 1802 1 3 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.645 0.673 25067 1803 1 3 . 1 1 103 103 GLU H H 103 7.986 7.986 8.327 -0.341 25067 1804 1 3 . 1 1 104 104 VAL N N 104 124.582 124.582 126.716 -2.134 25067 1805 1 3 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.324 0.320 25067 1806 1 3 . 1 1 104 104 VAL C C 104 173.763 173.763 174.236 -0.473 25067 1807 1 3 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.501 -1.538 25067 1808 1 3 . 1 1 104 104 VAL CB C 104 34.370 34.370 32.638 1.732 25067 1809 1 3 . 1 1 104 104 VAL H H 104 9.245 9.245 8.829 0.416 25067 1810 1 3 . 1 1 105 105 GLU N N 105 127.755 127.755 129.133 -1.378 25067 1811 1 3 . 1 1 105 105 GLU HA H 105 5.252 5.252 5.007 0.245 25067 1812 1 3 . 1 1 105 105 GLU C C 105 174.572 174.572 174.967 -0.395 25067 1813 1 3 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.273 0.086 25067 1814 1 3 . 1 1 105 105 GLU CB C 105 32.818 32.818 32.041 0.777 25067 1815 1 3 . 1 1 105 105 GLU H H 105 9.040 9.040 8.779 0.261 25067 1816 1 3 . 1 1 106 106 VAL N N 106 127.452 127.452 127.636 -0.184 25067 1817 1 3 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.198 0.570 25067 1818 1 3 . 1 1 106 106 VAL C C 106 174.692 174.692 174.771 -0.079 25067 1819 1 3 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.802 -1.379 25067 1820 1 3 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.095 2.047 25067 1821 1 3 . 1 1 106 106 VAL H H 106 9.315 9.315 8.698 0.617 25067 1822 1 3 . 1 1 107 107 ILE N N 107 127.006 127.006 128.916 -1.910 25067 1823 1 3 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.243 0.374 25067 1824 1 3 . 1 1 107 107 ILE C C 107 176.187 176.187 174.985 1.202 25067 1825 1 3 . 1 1 107 107 ILE CA C 107 60.406 60.406 59.605 0.801 25067 1826 1 3 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.208 2.313 25067 1827 1 3 . 1 1 107 107 ILE H H 107 8.814 8.814 8.019 0.795 25067 1828 1 3 . 1 1 108 108 LEU N N 108 128.313 128.313 128.916 -0.603 25067 1829 1 3 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.609 0.148 25067 1830 1 3 . 1 1 108 108 LEU C C 108 176.058 176.058 175.864 0.194 25067 1831 1 3 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.876 0.248 25067 1832 1 3 . 1 1 108 108 LEU CB C 108 43.074 43.074 42.989 0.085 25067 1833 1 3 . 1 1 108 108 LEU H H 108 8.652 8.652 7.908 0.744 25067 1834 1 3 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.512 0.020 25067 1835 1 3 . 1 1 109 109 GLU C C 109 175.408 175.408 175.715 -0.307 25067 1836 1 3 . 1 1 109 109 GLU CA C 109 55.361 55.361 56.508 -1.147 25067 1837 1 3 . 1 1 109 109 GLU CB C 109 30.647 30.647 28.993 1.654 25067 1838 1 3 . 1 1 110 110 LEU N N 110 125.467 125.467 124.207 1.260 25067 1839 1 3 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.399 0.002 25067 1840 1 3 . 1 1 110 110 LEU C C 110 176.854 176.854 176.994 -0.140 25067 1841 1 3 . 1 1 110 110 LEU CA C 110 54.969 54.969 55.833 -0.864 25067 1842 1 3 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.939 -0.424 25067 1843 1 3 . 1 1 110 110 LEU H H 110 8.402 8.402 8.285 0.117 25067 1844 1 3 . 1 1 111 111 GLU N N 111 121.575 121.575 119.531 2.044 25067 1845 1 3 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.285 -0.024 25067 1846 1 3 . 1 1 111 111 GLU CA C 111 56.521 56.521 55.491 1.030 25067 1847 1 3 . 1 1 111 111 GLU CB C 111 30.291 30.291 30.721 -0.430 25067 1848 1 3 . 1 1 111 111 GLU H H 111 8.607 8.607 7.484 1.123 25067 1849 1 4 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.600 -0.480 25067 1850 1 4 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.264 -0.103 25067 1851 1 4 . 1 1 2 2 ALA CB C 2 19.392 19.392 19.502 -0.110 25067 1852 1 4 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.670 -0.292 25067 1853 1 4 . 1 1 4 4 LYS C C 4 176.563 176.563 175.557 1.006 25067 1854 1 4 . 1 1 4 4 LYS CA C 4 56.384 56.384 55.570 0.814 25067 1855 1 4 . 1 1 4 4 LYS CB C 4 33.156 33.156 34.031 -0.875 25067 1856 1 4 . 1 1 5 5 GLU N N 5 122.511 122.511 121.746 0.765 25067 1857 1 4 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.269 0.108 25067 1858 1 4 . 1 1 5 5 GLU C C 5 176.099 176.099 174.546 1.553 25067 1859 1 4 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.662 -0.278 25067 1860 1 4 . 1 1 5 5 GLU CB C 5 29.803 29.803 30.272 -0.469 25067 1861 1 4 . 1 1 5 5 GLU H H 5 8.601 8.601 8.702 -0.101 25067 1862 1 4 . 1 1 6 6 LEU N N 6 124.063 124.063 124.678 -0.615 25067 1863 1 4 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.117 0.282 25067 1864 1 4 . 1 1 6 6 LEU C C 6 175.082 175.082 175.552 -0.470 25067 1865 1 4 . 1 1 6 6 LEU CA C 6 54.725 54.725 53.709 1.016 25067 1866 1 4 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.408 0.805 25067 1867 1 4 . 1 1 6 6 LEU H H 6 8.409 8.409 7.817 0.592 25067 1868 1 4 . 1 1 7 7 ARG N N 7 122.244 122.244 125.736 -3.492 25067 1869 1 4 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.601 -0.156 25067 1870 1 4 . 1 1 7 7 ARG C C 7 174.768 174.768 174.729 0.039 25067 1871 1 4 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.264 -0.574 25067 1872 1 4 . 1 1 7 7 ARG CB C 7 32.090 32.090 31.514 0.576 25067 1873 1 4 . 1 1 7 7 ARG H H 7 8.016 8.016 7.976 0.040 25067 1874 1 4 . 1 1 8 8 VAL N N 8 123.767 123.767 127.085 -3.318 25067 1875 1 4 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.369 -0.077 25067 1876 1 4 . 1 1 8 8 VAL C C 8 173.562 173.562 174.245 -0.683 25067 1877 1 4 . 1 1 8 8 VAL CA C 8 60.842 60.842 61.170 -0.328 25067 1878 1 4 . 1 1 8 8 VAL CB C 8 34.184 34.184 31.825 2.359 25067 1879 1 4 . 1 1 8 8 VAL H H 8 8.659 8.659 8.450 0.209 25067 1880 1 4 . 1 1 9 9 GLU N N 9 127.779 127.779 129.307 -1.528 25067 1881 1 4 . 1 1 9 9 GLU HA H 9 4.890 4.890 5.119 -0.229 25067 1882 1 4 . 1 1 9 9 GLU C C 9 175.446 175.446 175.586 -0.140 25067 1883 1 4 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.411 1.072 25067 1884 1 4 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.923 -0.173 25067 1885 1 4 . 1 1 9 9 GLU H H 9 8.513 8.513 8.307 0.206 25067 1886 1 4 . 1 1 10 10 ILE N N 10 127.770 127.770 128.195 -0.425 25067 1887 1 4 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.369 0.531 25067 1888 1 4 . 1 1 10 10 ILE C C 10 174.981 174.981 175.033 -0.052 25067 1889 1 4 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.519 -1.095 25067 1890 1 4 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.096 1.550 25067 1891 1 4 . 1 1 10 10 ILE H H 10 9.199 9.199 8.862 0.337 25067 1892 1 4 . 1 1 11 11 LYS N N 11 125.866 125.866 129.915 -4.049 25067 1893 1 4 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.673 0.765 25067 1894 1 4 . 1 1 11 11 LYS C C 11 175.835 175.835 174.710 1.125 25067 1895 1 4 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.448 0.369 25067 1896 1 4 . 1 1 11 11 LYS CB C 11 35.060 35.060 33.356 1.704 25067 1897 1 4 . 1 1 11 11 LYS H H 11 9.257 9.257 8.938 0.319 25067 1898 1 4 . 1 1 12 12 ILE N N 12 121.799 121.799 126.930 -5.131 25067 1899 1 4 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.424 0.875 25067 1900 1 4 . 1 1 12 12 ILE C C 12 175.132 175.132 174.587 0.545 25067 1901 1 4 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.622 0.512 25067 1902 1 4 . 1 1 12 12 ILE CB C 12 39.666 39.666 39.156 0.510 25067 1903 1 4 . 1 1 12 12 ILE H H 12 9.075 9.075 8.908 0.167 25067 1904 1 4 . 1 1 13 13 ASP N N 13 129.263 129.263 127.131 2.132 25067 1905 1 4 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.962 0.247 25067 1906 1 4 . 1 1 13 13 ASP C C 13 175.898 175.898 176.232 -0.334 25067 1907 1 4 . 1 1 13 13 ASP CA C 13 52.731 52.731 52.859 -0.128 25067 1908 1 4 . 1 1 13 13 ASP CB C 13 43.750 43.750 42.503 1.247 25067 1909 1 4 . 1 1 13 13 ASP H H 13 9.415 9.415 8.670 0.745 25067 1910 1 4 . 1 1 14 14 CYS N N 14 122.767 122.767 122.110 0.657 25067 1911 1 4 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.755 0.177 25067 1912 1 4 . 1 1 14 14 CYS C C 14 174.228 174.228 175.709 -1.481 25067 1913 1 4 . 1 1 14 14 CYS CA C 14 58.269 58.269 57.165 1.104 25067 1914 1 4 . 1 1 14 14 CYS CB C 14 28.447 28.447 27.046 1.401 25067 1915 1 4 . 1 1 14 14 CYS H H 14 9.274 9.274 8.900 0.374 25067 1916 1 4 . 1 1 15 15 GLY N N 15 110.606 110.606 110.179 0.427 25067 1917 1 4 . 1 1 15 15 GLY C C 15 173.986 173.986 173.892 0.094 25067 1918 1 4 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.563 0.329 25067 1919 1 4 . 1 1 15 15 GLY H H 15 8.919 8.919 7.899 1.020 25067 1920 1 4 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.760 0.036 25067 1921 1 4 . 1 1 16 16 ASN C C 16 175.157 175.157 174.731 0.426 25067 1922 1 4 . 1 1 16 16 ASN CA C 16 53.181 53.181 52.294 0.887 25067 1923 1 4 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.809 0.146 25067 1924 1 4 . 1 1 17 17 ASP N N 17 118.767 118.767 125.727 -6.960 25067 1925 1 4 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.556 0.033 25067 1926 1 4 . 1 1 17 17 ASP C C 17 175.493 175.493 176.500 -1.007 25067 1927 1 4 . 1 1 17 17 ASP CA C 17 54.533 54.533 56.352 -1.819 25067 1928 1 4 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.298 -0.306 25067 1929 1 4 . 1 1 17 17 ASP H H 17 8.409 8.409 8.642 -0.233 25067 1930 1 4 . 1 1 18 18 ASP N N 18 119.912 119.912 118.476 1.436 25067 1931 1 4 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.397 0.209 25067 1932 1 4 . 1 1 18 18 ASP C C 18 175.870 175.870 177.521 -1.651 25067 1933 1 4 . 1 1 18 18 ASP CA C 18 54.242 54.242 56.431 -2.189 25067 1934 1 4 . 1 1 18 18 ASP CB C 18 41.116 41.116 40.889 0.227 25067 1935 1 4 . 1 1 18 18 ASP H H 18 8.291 8.291 8.154 0.137 25067 1936 1 4 . 1 1 19 19 LYS N N 19 120.828 120.828 120.375 0.453 25067 1937 1 4 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.408 0.031 25067 1938 1 4 . 1 1 19 19 LYS C C 19 176.121 176.121 175.421 0.700 25067 1939 1 4 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.505 0.141 25067 1940 1 4 . 1 1 19 19 LYS CB C 19 33.015 33.015 31.600 1.415 25067 1941 1 4 . 1 1 19 19 LYS H H 19 8.140 8.140 8.098 0.042 25067 1942 1 4 . 1 1 20 20 GLU N N 20 123.292 123.292 122.767 0.525 25067 1943 1 4 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.191 0.349 25067 1944 1 4 . 1 1 20 20 GLU C C 20 176.413 176.413 177.072 -0.659 25067 1945 1 4 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.765 -0.247 25067 1946 1 4 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.860 0.683 25067 1947 1 4 . 1 1 20 20 GLU H H 20 8.645 8.645 7.921 0.724 25067 1948 1 4 . 1 1 21 21 THR N N 21 119.747 119.747 120.789 -1.042 25067 1949 1 4 . 1 1 21 21 THR HA H 21 4.517 4.517 4.458 0.059 25067 1950 1 4 . 1 1 21 21 THR C C 21 173.148 173.148 173.482 -0.334 25067 1951 1 4 . 1 1 21 21 THR CA C 21 61.989 61.989 60.914 1.075 25067 1952 1 4 . 1 1 21 21 THR CB C 21 70.485 70.485 68.987 1.498 25067 1953 1 4 . 1 1 21 21 THR H H 21 8.589 8.589 8.239 0.350 25067 1954 1 4 . 1 1 22 22 THR N N 22 119.539 119.539 121.714 -2.175 25067 1955 1 4 . 1 1 22 22 THR HA H 22 5.342 5.342 5.225 0.117 25067 1956 1 4 . 1 1 22 22 THR C C 22 173.148 173.148 173.386 -0.238 25067 1957 1 4 . 1 1 22 22 THR CA C 22 60.977 60.977 61.305 -0.328 25067 1958 1 4 . 1 1 22 22 THR CB C 22 70.490 70.490 71.235 -0.745 25067 1959 1 4 . 1 1 22 22 THR H H 22 8.191 8.191 8.240 -0.049 25067 1960 1 4 . 1 1 23 23 TYR N N 23 123.279 123.279 124.476 -1.197 25067 1961 1 4 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.588 0.066 25067 1962 1 4 . 1 1 23 23 TYR C C 23 173.400 173.400 174.595 -1.195 25067 1963 1 4 . 1 1 23 23 TYR CA C 23 56.982 56.982 56.858 0.124 25067 1964 1 4 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.047 2.271 25067 1965 1 4 . 1 1 23 23 TYR H H 23 9.268 9.268 9.077 0.191 25067 1966 1 4 . 1 1 24 24 ASP N N 24 121.837 121.837 125.883 -4.046 25067 1967 1 4 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.126 -0.282 25067 1968 1 4 . 1 1 24 24 ASP C C 24 173.400 173.400 175.474 -2.074 25067 1969 1 4 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.902 -0.433 25067 1970 1 4 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.129 0.812 25067 1971 1 4 . 1 1 24 24 ASP H H 24 8.484 8.484 8.612 -0.128 25067 1972 1 4 . 1 1 25 25 LEU N N 25 126.268 126.268 120.060 6.208 25067 1973 1 4 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.869 -0.769 25067 1974 1 4 . 1 1 25 25 LEU C C 25 174.677 174.677 174.633 0.044 25067 1975 1 4 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.087 -0.353 25067 1976 1 4 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.240 -1.614 25067 1977 1 4 . 1 1 25 25 LEU H H 25 8.619 8.619 8.200 0.419 25067 1978 1 4 . 1 1 26 26 TYR N N 26 123.695 123.695 116.974 6.721 25067 1979 1 4 . 1 1 26 26 TYR HA H 26 4.635 4.635 5.376 -0.741 25067 1980 1 4 . 1 1 26 26 TYR C C 26 176.833 176.833 175.229 1.604 25067 1981 1 4 . 1 1 26 26 TYR CA C 26 56.282 56.282 57.028 -0.746 25067 1982 1 4 . 1 1 26 26 TYR CB C 26 38.143 38.143 40.708 -2.565 25067 1983 1 4 . 1 1 26 26 TYR H H 26 8.465 8.465 8.250 0.215 25067 1984 1 4 . 1 1 27 27 PHE N N 27 119.951 119.951 120.593 -0.642 25067 1985 1 4 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.308 0.478 25067 1986 1 4 . 1 1 27 27 PHE C C 27 176.205 176.205 174.004 2.201 25067 1987 1 4 . 1 1 27 27 PHE CA C 27 60.136 60.136 59.027 1.109 25067 1988 1 4 . 1 1 27 27 PHE CB C 27 38.455 38.455 38.902 -0.447 25067 1989 1 4 . 1 1 27 27 PHE H H 27 7.991 7.991 8.619 -0.628 25067 1990 1 4 . 1 1 28 28 SER N N 28 114.987 114.987 115.124 -0.137 25067 1991 1 4 . 1 1 28 28 SER HA H 28 4.455 4.455 3.778 0.677 25067 1992 1 4 . 1 1 28 28 SER C C 28 174.517 174.517 172.783 1.734 25067 1993 1 4 . 1 1 28 28 SER CA C 28 59.489 59.489 57.457 2.032 25067 1994 1 4 . 1 1 28 28 SER CB C 28 62.828 62.828 62.743 0.084 25067 1995 1 4 . 1 1 28 28 SER H H 28 8.508 8.508 8.398 0.110 25067 1996 1 4 . 1 1 29 29 LYS N N 29 123.721 123.721 119.088 4.633 25067 1997 1 4 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.483 0.170 25067 1998 1 4 . 1 1 29 29 LYS C C 29 175.954 175.954 175.415 0.539 25067 1999 1 4 . 1 1 29 29 LYS CA C 29 54.695 54.695 54.956 -0.261 25067 2000 1 4 . 1 1 29 29 LYS CB C 29 31.548 31.548 34.560 -3.012 25067 2001 1 4 . 1 1 29 29 LYS H H 29 7.723 7.723 7.530 0.193 25067 2002 1 4 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.025 0.047 25067 2003 1 4 . 1 1 30 30 ALA CA C 30 55.547 55.547 52.154 3.393 25067 2004 1 4 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.280 0.491 25067 2005 1 4 . 1 1 31 31 GLU N N 31 117.703 117.703 119.127 -1.424 25067 2006 1 4 . 1 1 31 31 GLU HA H 31 4.178 4.178 3.998 0.180 25067 2007 1 4 . 1 1 31 31 GLU C C 31 179.251 179.251 177.973 1.278 25067 2008 1 4 . 1 1 31 31 GLU CA C 31 59.596 59.596 58.858 0.737 25067 2009 1 4 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.376 -0.777 25067 2010 1 4 . 1 1 31 31 GLU H H 31 9.034 9.034 8.879 0.155 25067 2011 1 4 . 1 1 32 32 GLU N N 32 121.084 121.084 120.011 1.073 25067 2012 1 4 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.089 0.096 25067 2013 1 4 . 1 1 32 32 GLU C C 32 179.251 179.251 178.590 0.661 25067 2014 1 4 . 1 1 32 32 GLU CA C 32 59.217 59.217 59.007 0.210 25067 2015 1 4 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.090 0.241 25067 2016 1 4 . 1 1 32 32 GLU H H 32 8.046 8.046 8.795 -0.749 25067 2017 1 4 . 1 1 33 33 ALA N N 33 122.906 122.906 121.214 1.692 25067 2018 1 4 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.201 -0.111 25067 2019 1 4 . 1 1 33 33 ALA C C 33 180.244 180.244 179.517 0.727 25067 2020 1 4 . 1 1 33 33 ALA CA C 33 55.519 55.519 54.579 0.940 25067 2021 1 4 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.416 -0.448 25067 2022 1 4 . 1 1 33 33 ALA H H 33 8.383 8.383 7.665 0.718 25067 2023 1 4 . 1 1 34 34 LYS N N 34 119.560 119.560 119.369 0.191 25067 2024 1 4 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.253 -0.063 25067 2025 1 4 . 1 1 34 34 LYS C C 34 179.198 179.198 178.369 0.829 25067 2026 1 4 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.690 -0.209 25067 2027 1 4 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.419 0.033 25067 2028 1 4 . 1 1 34 34 LYS H H 34 7.885 7.885 8.012 -0.127 25067 2029 1 4 . 1 1 35 35 GLU N N 35 121.053 121.053 120.094 0.959 25067 2030 1 4 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.174 0.007 25067 2031 1 4 . 1 1 35 35 GLU C C 35 179.288 179.288 179.042 0.246 25067 2032 1 4 . 1 1 35 35 GLU CA C 35 59.391 59.391 58.940 0.451 25067 2033 1 4 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.204 0.140 25067 2034 1 4 . 1 1 35 35 GLU H H 35 8.042 8.042 7.865 0.177 25067 2035 1 4 . 1 1 36 36 LEU N N 36 121.053 121.053 120.414 0.639 25067 2036 1 4 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.257 -0.020 25067 2037 1 4 . 1 1 36 36 LEU C C 36 177.982 177.982 179.092 -1.110 25067 2038 1 4 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.295 0.442 25067 2039 1 4 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.191 0.750 25067 2040 1 4 . 1 1 36 36 LEU H H 36 8.434 8.434 7.547 0.887 25067 2041 1 4 . 1 1 37 37 LEU N N 37 120.035 120.035 121.498 -1.463 25067 2042 1 4 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.700 -0.084 25067 2043 1 4 . 1 1 37 37 LEU C C 37 178.070 178.070 178.230 -0.160 25067 2044 1 4 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.667 0.882 25067 2045 1 4 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.475 0.673 25067 2046 1 4 . 1 1 37 37 LEU H H 37 7.883 7.883 8.433 -0.550 25067 2047 1 4 . 1 1 38 38 LYS N N 38 116.604 116.604 118.478 -1.874 25067 2048 1 4 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.841 -0.045 25067 2049 1 4 . 1 1 38 38 LYS C C 38 178.246 178.246 178.554 -0.308 25067 2050 1 4 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.766 -0.251 25067 2051 1 4 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.177 0.418 25067 2052 1 4 . 1 1 38 38 LYS H H 38 7.102 7.102 7.794 -0.692 25067 2053 1 4 . 1 1 39 39 LYS N N 39 118.823 118.823 119.463 -0.640 25067 2054 1 4 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.033 0.122 25067 2055 1 4 . 1 1 39 39 LYS C C 39 179.464 179.464 178.927 0.537 25067 2056 1 4 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.491 -0.365 25067 2057 1 4 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.439 0.255 25067 2058 1 4 . 1 1 39 39 LYS H H 39 7.752 7.752 7.459 0.293 25067 2059 1 4 . 1 1 40 40 VAL N N 40 119.336 119.336 119.454 -0.118 25067 2060 1 4 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.316 0.037 25067 2061 1 4 . 1 1 40 40 VAL C C 40 178.612 178.612 177.761 0.851 25067 2062 1 4 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.247 0.089 25067 2063 1 4 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.419 -0.267 25067 2064 1 4 . 1 1 40 40 VAL H H 40 8.925 8.925 8.110 0.815 25067 2065 1 4 . 1 1 41 41 ALA N N 41 120.709 120.709 121.131 -0.422 25067 2066 1 4 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.871 0.024 25067 2067 1 4 . 1 1 41 41 ALA C C 41 179.163 179.163 179.731 -0.568 25067 2068 1 4 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.336 -0.311 25067 2069 1 4 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.095 0.600 25067 2070 1 4 . 1 1 41 41 ALA H H 41 8.001 8.001 7.976 0.025 25067 2071 1 4 . 1 1 42 42 GLU N N 42 117.330 117.330 118.821 -1.491 25067 2072 1 4 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.029 -0.093 25067 2073 1 4 . 1 1 42 42 GLU C C 42 179.452 179.452 179.320 0.132 25067 2074 1 4 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.200 0.411 25067 2075 1 4 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.303 0.436 25067 2076 1 4 . 1 1 42 42 GLU H H 42 8.197 8.197 7.791 0.406 25067 2077 1 4 . 1 1 43 43 LYS N N 43 119.586 119.586 118.604 0.982 25067 2078 1 4 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.355 -0.157 25067 2079 1 4 . 1 1 43 43 LYS C C 43 179.595 179.595 179.099 0.496 25067 2080 1 4 . 1 1 43 43 LYS CA C 43 58.769 58.769 58.655 0.114 25067 2081 1 4 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.200 -0.129 25067 2082 1 4 . 1 1 43 43 LYS H H 43 8.119 8.119 8.073 0.046 25067 2083 1 4 . 1 1 44 44 ALA N N 44 121.948 121.948 121.785 0.163 25067 2084 1 4 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.203 0.063 25067 2085 1 4 . 1 1 44 44 ALA C C 44 178.937 178.937 179.243 -0.306 25067 2086 1 4 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.948 0.042 25067 2087 1 4 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.323 -0.522 25067 2088 1 4 . 1 1 44 44 ALA H H 44 8.396 8.396 8.218 0.178 25067 2089 1 4 . 1 1 45 45 ALA N N 45 118.814 118.814 120.388 -1.574 25067 2090 1 4 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.935 0.022 25067 2091 1 4 . 1 1 45 45 ALA C C 45 178.887 178.887 179.352 -0.465 25067 2092 1 4 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.803 0.765 25067 2093 1 4 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.197 -0.170 25067 2094 1 4 . 1 1 45 45 ALA H H 45 8.519 8.519 7.784 0.735 25067 2095 1 4 . 1 1 46 46 ASP N N 46 116.930 116.930 119.546 -2.616 25067 2096 1 4 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.399 0.000 25067 2097 1 4 . 1 1 46 46 ASP C C 46 178.020 178.020 178.751 -0.731 25067 2098 1 4 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.615 0.025 25067 2099 1 4 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.587 1.249 25067 2100 1 4 . 1 1 46 46 ASP H H 46 7.852 7.852 8.206 -0.354 25067 2101 1 4 . 1 1 47 47 LYS N N 47 119.467 119.467 120.103 -0.636 25067 2102 1 4 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.135 -0.042 25067 2103 1 4 . 1 1 47 47 LYS C C 47 178.924 178.924 179.311 -0.387 25067 2104 1 4 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.817 0.855 25067 2105 1 4 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.185 0.326 25067 2106 1 4 . 1 1 47 47 LYS H H 47 7.692 7.692 7.745 -0.054 25067 2107 1 4 . 1 1 48 48 ILE N N 48 119.929 119.929 119.244 0.685 25067 2108 1 4 . 1 1 48 48 ILE HA H 48 3.740 3.740 4.108 -0.368 25067 2109 1 4 . 1 1 48 48 ILE C C 48 179.025 179.025 178.368 0.657 25067 2110 1 4 . 1 1 48 48 ILE CA C 48 64.978 64.978 64.663 0.315 25067 2111 1 4 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.920 0.371 25067 2112 1 4 . 1 1 48 48 ILE H H 48 8.585 8.585 7.815 0.770 25067 2113 1 4 . 1 1 49 49 LYS N N 49 119.534 119.534 120.324 -0.790 25067 2114 1 4 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.046 -0.029 25067 2115 1 4 . 1 1 49 49 LYS C C 49 179.025 179.025 178.382 0.643 25067 2116 1 4 . 1 1 49 49 LYS CA C 49 59.647 59.647 59.063 0.584 25067 2117 1 4 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.433 0.168 25067 2118 1 4 . 1 1 49 49 LYS H H 49 8.353 8.353 7.740 0.613 25067 2119 1 4 . 1 1 50 50 LYS N N 50 117.423 117.423 116.096 1.327 25067 2120 1 4 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.192 0.024 25067 2121 1 4 . 1 1 50 50 LYS C C 50 178.510 178.510 176.374 2.136 25067 2122 1 4 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.059 0.438 25067 2123 1 4 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.373 -0.051 25067 2124 1 4 . 1 1 50 50 LYS H H 50 7.996 7.996 7.804 0.192 25067 2125 1 4 . 1 1 51 51 GLN N N 51 115.137 115.137 115.819 -0.682 25067 2126 1 4 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.674 -0.193 25067 2127 1 4 . 1 1 51 51 GLN C C 51 177.292 177.292 175.017 2.275 25067 2128 1 4 . 1 1 51 51 GLN CA C 51 56.007 56.007 54.509 1.498 25067 2129 1 4 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.158 -1.218 25067 2130 1 4 . 1 1 51 51 GLN H H 51 8.384 8.384 7.924 0.460 25067 2131 1 4 . 1 1 52 52 GLY N N 52 109.119 109.119 111.001 -1.882 25067 2132 1 4 . 1 1 52 52 GLY C C 52 174.391 174.391 174.413 -0.022 25067 2133 1 4 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.467 1.093 25067 2134 1 4 . 1 1 52 52 GLY H H 52 8.218 8.218 8.948 -0.730 25067 2135 1 4 . 1 1 53 53 CYS N N 53 116.935 116.935 124.297 -7.362 25067 2136 1 4 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.294 0.191 25067 2137 1 4 . 1 1 53 53 CYS C C 53 173.989 173.989 175.647 -1.658 25067 2138 1 4 . 1 1 53 53 CYS CA C 53 58.148 58.148 58.332 -0.184 25067 2139 1 4 . 1 1 53 53 CYS CB C 53 28.714 28.714 25.957 2.756 25067 2140 1 4 . 1 1 53 53 CYS H H 53 7.623 7.623 8.259 -0.636 25067 2141 1 4 . 1 1 54 54 LYS N N 54 120.659 120.659 124.059 -3.400 25067 2142 1 4 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.511 -0.011 25067 2143 1 4 . 1 1 54 54 LYS C C 54 174.793 174.793 176.561 -1.768 25067 2144 1 4 . 1 1 54 54 LYS CA C 54 56.326 56.326 58.219 -1.893 25067 2145 1 4 . 1 1 54 54 LYS CB C 54 33.710 33.710 33.291 0.419 25067 2146 1 4 . 1 1 54 54 LYS H H 54 8.765 8.765 7.973 0.792 25067 2147 1 4 . 1 1 55 55 ARG N N 55 117.927 117.927 118.720 -0.793 25067 2148 1 4 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.524 0.919 25067 2149 1 4 . 1 1 55 55 ARG C C 55 174.517 174.517 173.745 0.772 25067 2150 1 4 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.415 -0.826 25067 2151 1 4 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.501 1.115 25067 2152 1 4 . 1 1 55 55 ARG H H 55 7.603 7.603 7.422 0.181 25067 2153 1 4 . 1 1 56 56 VAL N N 56 122.079 122.079 126.319 -4.240 25067 2154 1 4 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.678 0.147 25067 2155 1 4 . 1 1 56 56 VAL C C 56 173.311 173.311 174.921 -1.610 25067 2156 1 4 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.393 -0.108 25067 2157 1 4 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.792 0.138 25067 2158 1 4 . 1 1 56 56 VAL H H 56 8.853 8.853 8.528 0.325 25067 2159 1 4 . 1 1 57 57 LYS N N 57 125.849 125.849 127.162 -1.313 25067 2160 1 4 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.658 0.946 25067 2161 1 4 . 1 1 57 57 LYS C C 57 174.881 174.881 174.805 0.076 25067 2162 1 4 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.160 -0.422 25067 2163 1 4 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.887 1.048 25067 2164 1 4 . 1 1 57 57 LYS H H 57 8.819 8.819 9.035 -0.216 25067 2165 1 4 . 1 1 58 58 ILE N N 58 125.213 125.213 126.143 -0.930 25067 2166 1 4 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.365 0.802 25067 2167 1 4 . 1 1 58 58 ILE C C 58 174.981 174.981 174.781 0.200 25067 2168 1 4 . 1 1 58 58 ILE CA C 58 60.596 60.596 61.041 -0.445 25067 2169 1 4 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.468 2.391 25067 2170 1 4 . 1 1 58 58 ILE H H 58 9.204 9.204 8.677 0.527 25067 2171 1 4 . 1 1 59 59 ARG N N 59 124.047 124.047 126.767 -2.720 25067 2172 1 4 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.484 0.617 25067 2173 1 4 . 1 1 59 59 ARG C C 59 175.144 175.144 175.242 -0.098 25067 2174 1 4 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.174 -0.083 25067 2175 1 4 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.765 2.270 25067 2176 1 4 . 1 1 59 59 ARG H H 59 9.467 9.467 8.628 0.839 25067 2177 1 4 . 1 1 60 60 PHE N N 60 113.223 113.223 122.796 -9.573 25067 2178 1 4 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.830 0.374 25067 2179 1 4 . 1 1 60 60 PHE C C 60 173.110 173.110 173.230 -0.120 25067 2180 1 4 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.713 0.218 25067 2181 1 4 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.939 -1.559 25067 2182 1 4 . 1 1 60 60 PHE H H 60 8.451 8.451 8.947 -0.496 25067 2183 1 4 . 1 1 61 61 GLU N N 61 121.333 121.333 126.159 -4.826 25067 2184 1 4 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.142 0.502 25067 2185 1 4 . 1 1 61 61 GLU C C 61 177.147 177.147 174.677 2.470 25067 2186 1 4 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.269 -0.304 25067 2187 1 4 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.084 0.614 25067 2188 1 4 . 1 1 61 61 GLU H H 61 9.572 9.572 7.903 1.669 25067 2189 1 4 . 1 1 62 62 LYS N N 62 121.311 121.311 128.220 -6.909 25067 2190 1 4 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.452 -0.109 25067 2191 1 4 . 1 1 62 62 LYS C C 62 177.398 177.398 174.919 2.479 25067 2192 1 4 . 1 1 62 62 LYS CA C 62 58.185 58.185 54.985 3.200 25067 2193 1 4 . 1 1 62 62 LYS CB C 62 32.937 32.937 32.306 0.631 25067 2194 1 4 . 1 1 62 62 LYS H H 62 8.160 8.160 8.292 -0.132 25067 2195 1 4 . 1 1 63 63 LYS N N 63 120.742 120.742 124.993 -4.251 25067 2196 1 4 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.311 -0.193 25067 2197 1 4 . 1 1 63 63 LYS C C 63 177.015 177.015 175.876 1.139 25067 2198 1 4 . 1 1 63 63 LYS CA C 63 58.693 58.693 57.388 1.305 25067 2199 1 4 . 1 1 63 63 LYS CB C 63 31.677 31.677 33.801 -2.124 25067 2200 1 4 . 1 1 63 63 LYS H H 63 8.028 8.028 8.113 -0.085 25067 2201 1 4 . 1 1 64 64 GLY C C 64 174.039 174.039 173.669 0.370 25067 2202 1 4 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.810 0.053 25067 2203 1 4 . 1 1 65 65 LEU N N 65 119.849 119.849 118.184 1.665 25067 2204 1 4 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.885 -0.261 25067 2205 1 4 . 1 1 65 65 LEU C C 65 177.493 177.493 174.838 2.655 25067 2206 1 4 . 1 1 65 65 LEU CA C 65 54.128 54.128 53.772 0.356 25067 2207 1 4 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.997 0.689 25067 2208 1 4 . 1 1 65 65 LEU H H 65 7.836 7.836 7.452 0.384 25067 2209 1 4 . 1 1 66 66 ASP N N 66 123.296 123.296 118.528 4.768 25067 2210 1 4 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.896 -0.224 25067 2211 1 4 . 1 1 66 66 ASP C C 66 175.471 175.471 176.017 -0.546 25067 2212 1 4 . 1 1 66 66 ASP CA C 66 52.820 52.820 53.001 -0.181 25067 2213 1 4 . 1 1 66 66 ASP CB C 66 41.017 41.017 43.173 -2.156 25067 2214 1 4 . 1 1 66 66 ASP H H 66 8.226 8.226 8.239 -0.013 25067 2215 1 4 . 1 1 67 67 ASP N N 67 118.859 118.859 121.594 -2.735 25067 2216 1 4 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.314 -0.071 25067 2217 1 4 . 1 1 67 67 ASP C C 67 178.121 178.121 177.431 0.690 25067 2218 1 4 . 1 1 67 67 ASP CA C 67 58.473 58.473 56.739 1.734 25067 2219 1 4 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.071 -0.004 25067 2220 1 4 . 1 1 67 67 ASP H H 67 8.529 8.529 8.714 -0.185 25067 2221 1 4 . 1 1 68 68 ASP N N 68 119.187 119.187 119.598 -0.411 25067 2222 1 4 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.322 0.018 25067 2223 1 4 . 1 1 68 68 ASP C C 68 177.807 177.807 177.964 -0.157 25067 2224 1 4 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.564 -0.083 25067 2225 1 4 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.858 0.601 25067 2226 1 4 . 1 1 68 68 ASP H H 68 8.244 8.244 8.334 -0.090 25067 2227 1 4 . 1 1 69 69 ALA N N 69 122.537 122.537 121.289 1.248 25067 2228 1 4 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.122 -0.494 25067 2229 1 4 . 1 1 69 69 ALA C C 69 179.452 179.452 179.571 -0.119 25067 2230 1 4 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.817 0.199 25067 2231 1 4 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.426 0.737 25067 2232 1 4 . 1 1 69 69 ALA H H 69 8.191 8.191 7.485 0.706 25067 2233 1 4 . 1 1 70 70 ARG N N 70 115.799 115.799 119.379 -3.580 25067 2234 1 4 . 1 1 70 70 ARG HA H 70 3.723 3.723 4.001 -0.278 25067 2235 1 4 . 1 1 70 70 ARG C C 70 178.183 178.183 178.022 0.161 25067 2236 1 4 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.368 0.980 25067 2237 1 4 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.091 0.520 25067 2238 1 4 . 1 1 70 70 ARG H H 70 8.419 8.419 7.658 0.761 25067 2239 1 4 . 1 1 71 71 LYS N N 71 118.170 118.170 119.615 -1.445 25067 2240 1 4 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.858 -0.021 25067 2241 1 4 . 1 1 71 71 LYS C C 71 179.891 179.891 178.828 1.063 25067 2242 1 4 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.823 -0.173 25067 2243 1 4 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.127 0.292 25067 2244 1 4 . 1 1 71 71 LYS H H 71 7.781 7.781 7.855 -0.074 25067 2245 1 4 . 1 1 72 72 LYS N N 72 119.730 119.730 118.230 1.500 25067 2246 1 4 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.027 -0.291 25067 2247 1 4 . 1 1 72 72 LYS C C 72 178.874 178.874 178.927 -0.053 25067 2248 1 4 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.756 0.817 25067 2249 1 4 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.935 0.458 25067 2250 1 4 . 1 1 72 72 LYS H H 72 7.835 7.835 7.989 -0.154 25067 2251 1 4 . 1 1 73 73 ALA N N 73 123.068 123.068 121.910 1.158 25067 2252 1 4 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.910 -0.155 25067 2253 1 4 . 1 1 73 73 ALA C C 73 178.246 178.246 179.402 -1.156 25067 2254 1 4 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.678 0.672 25067 2255 1 4 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.707 -0.061 25067 2256 1 4 . 1 1 73 73 ALA H H 73 8.343 8.343 7.758 0.585 25067 2257 1 4 . 1 1 74 74 LYS N N 74 117.936 117.936 118.764 -0.828 25067 2258 1 4 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.373 0.271 25067 2259 1 4 . 1 1 74 74 LYS C C 74 177.694 177.694 178.534 -0.840 25067 2260 1 4 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.303 1.018 25067 2261 1 4 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.178 0.497 25067 2262 1 4 . 1 1 74 74 LYS H H 74 7.934 7.934 7.721 0.213 25067 2263 1 4 . 1 1 75 75 LYS N N 75 116.863 116.863 119.472 -2.609 25067 2264 1 4 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.021 -0.042 25067 2265 1 4 . 1 1 75 75 LYS C C 75 178.884 178.884 178.793 0.091 25067 2266 1 4 . 1 1 75 75 LYS CA C 75 59.409 59.409 58.924 0.485 25067 2267 1 4 . 1 1 75 75 LYS CB C 75 32.497 32.497 31.923 0.574 25067 2268 1 4 . 1 1 75 75 LYS H H 75 7.371 7.371 7.645 -0.274 25067 2269 1 4 . 1 1 76 76 TRP N N 76 121.108 121.108 121.313 -0.205 25067 2270 1 4 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.345 -0.148 25067 2271 1 4 . 1 1 76 76 TRP C C 76 177.618 177.618 178.286 -0.668 25067 2272 1 4 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.293 0.433 25067 2273 1 4 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.261 0.732 25067 2274 1 4 . 1 1 76 76 TRP H H 76 8.156 8.156 8.136 0.020 25067 2275 1 4 . 1 1 77 77 ALA N N 77 120.099 120.099 120.843 -0.744 25067 2276 1 4 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.929 0.170 25067 2277 1 4 . 1 1 77 77 ALA C C 77 179.125 179.125 179.699 -0.574 25067 2278 1 4 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.032 0.616 25067 2279 1 4 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.703 -0.384 25067 2280 1 4 . 1 1 77 77 ALA H H 77 8.883 8.883 8.303 0.580 25067 2281 1 4 . 1 1 78 78 LEU N N 78 116.584 116.584 118.903 -2.319 25067 2282 1 4 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.935 0.196 25067 2283 1 4 . 1 1 78 78 LEU C C 78 179.828 179.828 179.131 0.697 25067 2284 1 4 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.912 -0.069 25067 2285 1 4 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.724 -0.026 25067 2286 1 4 . 1 1 78 78 LEU H H 78 8.238 8.238 8.040 0.198 25067 2287 1 4 . 1 1 79 79 GLU N N 79 121.435 121.435 119.565 1.870 25067 2288 1 4 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.942 0.161 25067 2289 1 4 . 1 1 79 79 GLU C C 79 180.004 180.004 179.177 0.827 25067 2290 1 4 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.419 -0.049 25067 2291 1 4 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.434 -0.312 25067 2292 1 4 . 1 1 79 79 GLU H H 79 8.296 8.296 7.620 0.676 25067 2293 1 4 . 1 1 80 80 VAL N N 80 122.863 122.863 119.977 2.886 25067 2294 1 4 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.405 -0.050 25067 2295 1 4 . 1 1 80 80 VAL C C 80 177.044 177.044 177.620 -0.576 25067 2296 1 4 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.685 -0.216 25067 2297 1 4 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.981 -0.283 25067 2298 1 4 . 1 1 80 80 VAL H H 80 8.603 8.603 7.623 0.980 25067 2299 1 4 . 1 1 81 81 ALA N N 81 122.490 122.490 122.408 0.082 25067 2300 1 4 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.839 -0.106 25067 2301 1 4 . 1 1 81 81 ALA C C 81 178.529 178.529 179.424 -0.895 25067 2302 1 4 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.634 0.011 25067 2303 1 4 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.301 0.114 25067 2304 1 4 . 1 1 81 81 ALA H H 81 7.684 7.684 7.925 -0.241 25067 2305 1 4 . 1 1 82 82 ASN N N 82 114.569 114.569 115.164 -0.595 25067 2306 1 4 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.451 -0.073 25067 2307 1 4 . 1 1 82 82 ASN C C 82 177.505 177.505 177.654 -0.149 25067 2308 1 4 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.841 0.362 25067 2309 1 4 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.436 0.398 25067 2310 1 4 . 1 1 82 82 ASN H H 82 7.752 7.752 7.983 -0.231 25067 2311 1 4 . 1 1 83 83 LYS N N 83 121.384 121.384 121.998 -0.614 25067 2312 1 4 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.035 0.059 25067 2313 1 4 . 1 1 83 83 LYS C C 83 179.037 179.037 178.597 0.440 25067 2314 1 4 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.791 0.284 25067 2315 1 4 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.912 0.236 25067 2316 1 4 . 1 1 83 83 LYS H H 83 8.343 8.343 7.787 0.556 25067 2317 1 4 . 1 1 84 84 ILE N N 84 120.298 120.298 118.852 1.446 25067 2318 1 4 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.715 -0.230 25067 2319 1 4 . 1 1 84 84 ILE C C 84 177.063 177.063 177.752 -0.689 25067 2320 1 4 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.339 0.849 25067 2321 1 4 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.897 0.491 25067 2322 1 4 . 1 1 84 84 ILE H H 84 8.496 8.496 7.704 0.792 25067 2323 1 4 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.947 -0.131 25067 2324 1 4 . 1 1 85 85 ALA C C 85 179.891 179.891 179.426 0.465 25067 2325 1 4 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.087 0.704 25067 2326 1 4 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.199 -0.151 25067 2327 1 4 . 1 1 85 85 ALA H H 85 7.768 7.768 7.969 -0.201 25067 2328 1 4 . 1 1 86 86 ASN N N 86 116.155 116.155 115.102 1.053 25067 2329 1 4 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.461 0.074 25067 2330 1 4 . 1 1 86 86 ASN C C 86 178.423 178.423 177.145 1.278 25067 2331 1 4 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.577 0.529 25067 2332 1 4 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.775 0.009 25067 2333 1 4 . 1 1 86 86 ASN H H 86 8.355 8.355 7.899 0.456 25067 2334 1 4 . 1 1 87 87 GLU N N 87 120.806 120.806 118.811 1.995 25067 2335 1 4 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.084 0.092 25067 2336 1 4 . 1 1 87 87 GLU C C 87 178.381 178.381 178.349 0.032 25067 2337 1 4 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.400 0.509 25067 2338 1 4 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.682 -0.030 25067 2339 1 4 . 1 1 87 87 GLU H H 87 8.431 8.431 7.731 0.700 25067 2340 1 4 . 1 1 88 88 LEU N N 88 115.825 115.825 116.645 -0.820 25067 2341 1 4 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.423 -0.067 25067 2342 1 4 . 1 1 88 88 LEU C C 88 177.442 177.442 177.896 -0.454 25067 2343 1 4 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.310 -0.733 25067 2344 1 4 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.278 1.222 25067 2345 1 4 . 1 1 88 88 LEU H H 88 7.547 7.547 7.840 -0.293 25067 2346 1 4 . 1 1 89 89 GLY N N 89 109.579 109.579 107.526 2.053 25067 2347 1 4 . 1 1 89 89 GLY C C 89 174.321 174.321 173.774 0.547 25067 2348 1 4 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.097 1.411 25067 2349 1 4 . 1 1 89 89 GLY H H 89 7.934 7.934 7.909 0.025 25067 2350 1 4 . 1 1 90 90 ALA N N 90 120.990 120.990 121.591 -0.601 25067 2351 1 4 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.618 0.031 25067 2352 1 4 . 1 1 90 90 ALA C C 90 177.053 177.053 176.120 0.933 25067 2353 1 4 . 1 1 90 90 ALA CA C 90 51.074 51.074 51.044 0.030 25067 2354 1 4 . 1 1 90 90 ALA CB C 90 21.819 21.819 20.790 1.029 25067 2355 1 4 . 1 1 90 90 ALA H H 90 8.017 8.017 7.560 0.457 25067 2356 1 4 . 1 1 91 91 LYS N N 91 120.615 120.615 119.043 1.572 25067 2357 1 4 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.363 0.053 25067 2358 1 4 . 1 1 91 91 LYS C C 91 175.765 175.765 176.249 -0.484 25067 2359 1 4 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.921 0.258 25067 2360 1 4 . 1 1 91 91 LYS CB C 91 32.742 32.742 32.931 -0.189 25067 2361 1 4 . 1 1 91 91 LYS H H 91 8.366 8.366 8.272 0.094 25067 2362 1 4 . 1 1 92 92 GLN N N 92 119.273 119.273 118.419 0.854 25067 2363 1 4 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.399 0.762 25067 2364 1 4 . 1 1 92 92 GLN C C 92 175.136 175.136 175.589 -0.453 25067 2365 1 4 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.321 -1.211 25067 2366 1 4 . 1 1 92 92 GLN CB C 92 30.681 30.681 29.541 1.140 25067 2367 1 4 . 1 1 92 92 GLN H H 92 8.495 8.495 8.480 0.015 25067 2368 1 4 . 1 1 93 93 SER N N 93 117.003 117.003 113.743 3.260 25067 2369 1 4 . 1 1 93 93 SER HA H 93 4.781 4.781 5.066 -0.285 25067 2370 1 4 . 1 1 93 93 SER C C 93 173.735 173.735 174.178 -0.443 25067 2371 1 4 . 1 1 93 93 SER CA C 93 57.819 57.819 56.584 1.234 25067 2372 1 4 . 1 1 93 93 SER CB C 93 64.648 64.648 65.755 -1.107 25067 2373 1 4 . 1 1 93 93 SER H H 93 8.441 8.441 8.227 0.214 25067 2374 1 4 . 1 1 94 94 THR HA H 94 4.781 4.781 4.719 0.062 25067 2375 1 4 . 1 1 94 94 THR CA C 94 61.111 61.111 61.118 -0.007 25067 2376 1 4 . 1 1 94 94 THR CB C 94 71.032 71.032 69.567 1.466 25067 2377 1 4 . 1 1 95 95 THR N N 95 119.923 119.923 118.788 1.135 25067 2378 1 4 . 1 1 95 95 THR HA H 95 5.098 5.098 5.039 0.059 25067 2379 1 4 . 1 1 95 95 THR CA C 95 60.438 60.438 60.461 -0.023 25067 2380 1 4 . 1 1 95 95 THR CB C 95 70.780 70.780 71.766 -0.986 25067 2381 1 4 . 1 1 95 95 THR H H 95 8.762 8.762 8.160 0.602 25067 2382 1 4 . 1 1 96 96 THR HA H 96 4.367 4.367 4.596 -0.229 25067 2383 1 4 . 1 1 96 96 THR CA C 96 61.740 61.740 61.961 -0.221 25067 2384 1 4 . 1 1 96 96 THR CB C 96 70.992 70.992 70.320 0.672 25067 2385 1 4 . 1 1 97 97 THR N N 97 120.315 120.315 119.477 0.838 25067 2386 1 4 . 1 1 97 97 THR HA H 97 5.363 5.363 4.735 0.628 25067 2387 1 4 . 1 1 97 97 THR CA C 97 61.379 61.379 61.739 -0.360 25067 2388 1 4 . 1 1 97 97 THR CB C 97 71.216 71.216 70.144 1.072 25067 2389 1 4 . 1 1 97 97 THR H H 97 8.999 8.999 8.455 0.544 25067 2390 1 4 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.341 0.851 25067 2391 1 4 . 1 1 98 98 ASP C C 98 175.672 175.672 177.419 -1.747 25067 2392 1 4 . 1 1 98 98 ASP CA C 98 52.593 52.593 56.029 -3.437 25067 2393 1 4 . 1 1 98 98 ASP CB C 98 41.735 41.735 40.974 0.761 25067 2394 1 4 . 1 1 99 99 GLY N N 99 111.919 111.919 108.874 3.045 25067 2395 1 4 . 1 1 99 99 GLY C C 99 174.049 174.049 173.553 0.496 25067 2396 1 4 . 1 1 99 99 GLY CA C 99 45.026 45.026 45.645 -0.619 25067 2397 1 4 . 1 1 99 99 GLY H H 99 7.817 7.817 8.521 -0.704 25067 2398 1 4 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.811 -0.257 25067 2399 1 4 . 1 1 100 100 ASP C C 100 177.518 177.518 175.522 1.996 25067 2400 1 4 . 1 1 100 100 ASP CA C 100 57.488 57.488 53.775 3.713 25067 2401 1 4 . 1 1 100 100 ASP CB C 100 41.637 41.637 42.499 -0.862 25067 2402 1 4 . 1 1 101 101 THR N N 101 112.835 112.835 116.659 -3.824 25067 2403 1 4 . 1 1 101 101 THR HA H 101 4.613 4.613 3.889 0.724 25067 2404 1 4 . 1 1 101 101 THR C C 101 173.003 173.003 173.192 -0.189 25067 2405 1 4 . 1 1 101 101 THR CA C 101 60.857 60.857 64.239 -3.382 25067 2406 1 4 . 1 1 101 101 THR CB C 101 70.589 70.589 68.756 1.833 25067 2407 1 4 . 1 1 101 101 THR H H 101 7.819 7.819 8.508 -0.689 25067 2408 1 4 . 1 1 102 102 PHE N N 102 126.633 126.633 126.153 0.480 25067 2409 1 4 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.824 0.067 25067 2410 1 4 . 1 1 102 102 PHE C C 102 173.286 173.286 174.020 -0.734 25067 2411 1 4 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.002 0.171 25067 2412 1 4 . 1 1 102 102 PHE CB C 102 40.719 40.719 41.097 -0.378 25067 2413 1 4 . 1 1 102 102 PHE H H 102 8.581 8.581 8.593 -0.012 25067 2414 1 4 . 1 1 103 103 GLU N N 103 125.528 125.528 128.550 -3.022 25067 2415 1 4 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.264 -0.027 25067 2416 1 4 . 1 1 103 103 GLU C C 103 173.851 173.851 174.918 -1.067 25067 2417 1 4 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.492 -0.432 25067 2418 1 4 . 1 1 103 103 GLU CB C 103 34.318 34.318 32.697 1.621 25067 2419 1 4 . 1 1 103 103 GLU H H 103 7.986 7.986 8.446 -0.460 25067 2420 1 4 . 1 1 104 104 VAL N N 104 124.582 124.582 126.257 -1.675 25067 2421 1 4 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.339 0.305 25067 2422 1 4 . 1 1 104 104 VAL C C 104 173.763 173.763 175.253 -1.490 25067 2423 1 4 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.436 -1.473 25067 2424 1 4 . 1 1 104 104 VAL CB C 104 34.370 34.370 32.258 2.111 25067 2425 1 4 . 1 1 104 104 VAL H H 104 9.245 9.245 8.800 0.445 25067 2426 1 4 . 1 1 105 105 GLU N N 105 127.755 127.755 129.821 -2.066 25067 2427 1 4 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.717 0.535 25067 2428 1 4 . 1 1 105 105 GLU C C 105 174.572 174.572 175.104 -0.532 25067 2429 1 4 . 1 1 105 105 GLU CA C 105 54.359 54.359 55.381 -1.022 25067 2430 1 4 . 1 1 105 105 GLU CB C 105 32.818 32.818 30.629 2.189 25067 2431 1 4 . 1 1 105 105 GLU H H 105 9.040 9.040 8.822 0.218 25067 2432 1 4 . 1 1 106 106 VAL N N 106 127.452 127.452 125.882 1.570 25067 2433 1 4 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.147 0.621 25067 2434 1 4 . 1 1 106 106 VAL C C 106 174.692 174.692 174.908 -0.216 25067 2435 1 4 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.974 -1.551 25067 2436 1 4 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.050 2.092 25067 2437 1 4 . 1 1 106 106 VAL H H 106 9.315 9.315 8.360 0.955 25067 2438 1 4 . 1 1 107 107 ILE N N 107 127.006 127.006 128.633 -1.627 25067 2439 1 4 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.427 0.190 25067 2440 1 4 . 1 1 107 107 ILE C C 107 176.187 176.187 175.383 0.804 25067 2441 1 4 . 1 1 107 107 ILE CA C 107 60.406 60.406 59.078 1.327 25067 2442 1 4 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.581 1.940 25067 2443 1 4 . 1 1 107 107 ILE H H 107 8.814 8.814 7.925 0.889 25067 2444 1 4 . 1 1 108 108 LEU N N 108 128.313 128.313 129.462 -1.149 25067 2445 1 4 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.578 0.179 25067 2446 1 4 . 1 1 108 108 LEU C C 108 176.058 176.058 175.884 0.174 25067 2447 1 4 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.763 0.361 25067 2448 1 4 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.316 1.758 25067 2449 1 4 . 1 1 108 108 LEU H H 108 8.652 8.652 8.187 0.465 25067 2450 1 4 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.393 0.139 25067 2451 1 4 . 1 1 109 109 GLU C C 109 175.408 175.408 175.928 -0.520 25067 2452 1 4 . 1 1 109 109 GLU CA C 109 55.361 55.361 56.095 -0.734 25067 2453 1 4 . 1 1 109 109 GLU CB C 109 30.647 30.647 28.683 1.964 25067 2454 1 4 . 1 1 110 110 LEU N N 110 125.467 125.467 124.039 1.428 25067 2455 1 4 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.276 0.125 25067 2456 1 4 . 1 1 110 110 LEU C C 110 176.854 176.854 177.779 -0.925 25067 2457 1 4 . 1 1 110 110 LEU CA C 110 54.969 54.969 55.898 -0.929 25067 2458 1 4 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.278 0.237 25067 2459 1 4 . 1 1 110 110 LEU H H 110 8.402 8.402 7.902 0.500 25067 2460 1 4 . 1 1 111 111 GLU N N 111 121.575 121.575 113.047 8.528 25067 2461 1 4 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.025 0.236 25067 2462 1 4 . 1 1 111 111 GLU CA C 111 56.521 56.521 57.852 -1.331 25067 2463 1 4 . 1 1 111 111 GLU CB C 111 30.291 30.291 27.587 2.704 25067 2464 1 4 . 1 1 111 111 GLU H H 111 8.607 8.607 8.632 -0.025 25067 2465 1 5 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.326 -0.206 25067 2466 1 5 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.270 -0.109 25067 2467 1 5 . 1 1 2 2 ALA CB C 2 19.392 19.392 17.657 1.735 25067 2468 1 5 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.563 -0.185 25067 2469 1 5 . 1 1 4 4 LYS C C 4 176.563 176.563 175.501 1.062 25067 2470 1 5 . 1 1 4 4 LYS CA C 4 56.384 56.384 55.255 1.129 25067 2471 1 5 . 1 1 4 4 LYS CB C 4 33.156 33.156 34.924 -1.768 25067 2472 1 5 . 1 1 5 5 GLU N N 5 122.511 122.511 119.571 2.940 25067 2473 1 5 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.518 -0.141 25067 2474 1 5 . 1 1 5 5 GLU C C 5 176.099 176.099 176.915 -0.816 25067 2475 1 5 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.754 -0.370 25067 2476 1 5 . 1 1 5 5 GLU CB C 5 29.803 29.803 29.762 0.041 25067 2477 1 5 . 1 1 5 5 GLU H H 5 8.601 8.601 8.850 -0.249 25067 2478 1 5 . 1 1 6 6 LEU N N 6 124.063 124.063 122.504 1.559 25067 2479 1 5 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.140 0.259 25067 2480 1 5 . 1 1 6 6 LEU C C 6 175.082 175.082 175.654 -0.572 25067 2481 1 5 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.469 0.256 25067 2482 1 5 . 1 1 6 6 LEU CB C 6 42.213 42.213 40.698 1.515 25067 2483 1 5 . 1 1 6 6 LEU H H 6 8.409 8.409 8.040 0.369 25067 2484 1 5 . 1 1 7 7 ARG N N 7 122.244 122.244 124.207 -1.963 25067 2485 1 5 . 1 1 7 7 ARG HA H 7 4.445 4.445 3.512 0.933 25067 2486 1 5 . 1 1 7 7 ARG C C 7 174.768 174.768 174.485 0.283 25067 2487 1 5 . 1 1 7 7 ARG CA C 7 54.690 54.690 54.841 -0.151 25067 2488 1 5 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.281 1.809 25067 2489 1 5 . 1 1 7 7 ARG H H 7 8.016 8.016 7.809 0.207 25067 2490 1 5 . 1 1 8 8 VAL N N 8 123.767 123.767 126.550 -2.783 25067 2491 1 5 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.412 -0.120 25067 2492 1 5 . 1 1 8 8 VAL C C 8 173.562 173.562 175.195 -1.633 25067 2493 1 5 . 1 1 8 8 VAL CA C 8 60.842 60.842 61.795 -0.953 25067 2494 1 5 . 1 1 8 8 VAL CB C 8 34.184 34.184 32.933 1.251 25067 2495 1 5 . 1 1 8 8 VAL H H 8 8.659 8.659 8.475 0.184 25067 2496 1 5 . 1 1 9 9 GLU N N 9 127.779 127.779 128.993 -1.214 25067 2497 1 5 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.900 -0.010 25067 2498 1 5 . 1 1 9 9 GLU C C 9 175.446 175.446 175.249 0.197 25067 2499 1 5 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.988 0.495 25067 2500 1 5 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.745 0.005 25067 2501 1 5 . 1 1 9 9 GLU H H 9 8.513 8.513 8.848 -0.335 25067 2502 1 5 . 1 1 10 10 ILE N N 10 127.770 127.770 126.301 1.469 25067 2503 1 5 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.426 0.474 25067 2504 1 5 . 1 1 10 10 ILE C C 10 174.981 174.981 175.092 -0.111 25067 2505 1 5 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.555 -1.131 25067 2506 1 5 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.414 1.231 25067 2507 1 5 . 1 1 10 10 ILE H H 10 9.199 9.199 8.569 0.630 25067 2508 1 5 . 1 1 11 11 LYS N N 11 125.866 125.866 129.836 -3.970 25067 2509 1 5 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.616 -0.178 25067 2510 1 5 . 1 1 11 11 LYS C C 11 175.835 175.835 175.042 0.793 25067 2511 1 5 . 1 1 11 11 LYS CA C 11 54.817 54.817 53.495 1.322 25067 2512 1 5 . 1 1 11 11 LYS CB C 11 35.060 35.060 35.081 -0.021 25067 2513 1 5 . 1 1 11 11 LYS H H 11 9.257 9.257 9.019 0.238 25067 2514 1 5 . 1 1 12 12 ILE N N 12 121.799 121.799 126.299 -4.500 25067 2515 1 5 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.365 0.934 25067 2516 1 5 . 1 1 12 12 ILE C C 12 175.132 175.132 174.195 0.937 25067 2517 1 5 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.471 0.663 25067 2518 1 5 . 1 1 12 12 ILE CB C 12 39.666 39.666 39.639 0.027 25067 2519 1 5 . 1 1 12 12 ILE H H 12 9.075 9.075 8.265 0.810 25067 2520 1 5 . 1 1 13 13 ASP N N 13 129.263 129.263 125.907 3.356 25067 2521 1 5 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.783 0.426 25067 2522 1 5 . 1 1 13 13 ASP C C 13 175.898 175.898 174.927 0.971 25067 2523 1 5 . 1 1 13 13 ASP CA C 13 52.731 52.731 54.210 -1.479 25067 2524 1 5 . 1 1 13 13 ASP CB C 13 43.750 43.750 41.357 2.393 25067 2525 1 5 . 1 1 13 13 ASP H H 13 9.415 9.415 8.479 0.936 25067 2526 1 5 . 1 1 14 14 CYS N N 14 122.767 122.767 123.785 -1.018 25067 2527 1 5 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.576 0.356 25067 2528 1 5 . 1 1 14 14 CYS C C 14 174.228 174.228 174.969 -0.741 25067 2529 1 5 . 1 1 14 14 CYS CA C 14 58.269 58.269 59.349 -1.080 25067 2530 1 5 . 1 1 14 14 CYS CB C 14 28.447 28.447 29.709 -1.262 25067 2531 1 5 . 1 1 14 14 CYS H H 14 9.274 9.274 8.291 0.983 25067 2532 1 5 . 1 1 15 15 GLY N N 15 110.606 110.606 111.787 -1.181 25067 2533 1 5 . 1 1 15 15 GLY C C 15 173.986 173.986 174.436 -0.450 25067 2534 1 5 . 1 1 15 15 GLY CA C 15 45.892 45.892 44.908 0.984 25067 2535 1 5 . 1 1 15 15 GLY H H 15 8.919 8.919 8.712 0.207 25067 2536 1 5 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.477 0.319 25067 2537 1 5 . 1 1 16 16 ASN C C 16 175.157 175.157 175.686 -0.529 25067 2538 1 5 . 1 1 16 16 ASN CA C 16 53.181 53.181 55.039 -1.858 25067 2539 1 5 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.528 0.427 25067 2540 1 5 . 1 1 17 17 ASP N N 17 118.767 118.767 121.001 -2.234 25067 2541 1 5 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.598 -0.009 25067 2542 1 5 . 1 1 17 17 ASP C C 17 175.493 175.493 175.626 -0.133 25067 2543 1 5 . 1 1 17 17 ASP CA C 17 54.533 54.533 54.100 0.433 25067 2544 1 5 . 1 1 17 17 ASP CB C 17 40.992 40.992 39.812 1.179 25067 2545 1 5 . 1 1 17 17 ASP H H 17 8.409 8.409 8.003 0.406 25067 2546 1 5 . 1 1 18 18 ASP N N 18 119.912 119.912 120.831 -0.919 25067 2547 1 5 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.275 0.331 25067 2548 1 5 . 1 1 18 18 ASP C C 18 175.870 175.870 175.253 0.617 25067 2549 1 5 . 1 1 18 18 ASP CA C 18 54.242 54.242 55.834 -1.592 25067 2550 1 5 . 1 1 18 18 ASP CB C 18 41.116 41.116 40.761 0.355 25067 2551 1 5 . 1 1 18 18 ASP H H 18 8.291 8.291 8.233 0.058 25067 2552 1 5 . 1 1 19 19 LYS N N 19 120.828 120.828 120.022 0.806 25067 2553 1 5 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.451 -0.012 25067 2554 1 5 . 1 1 19 19 LYS C C 19 176.121 176.121 175.525 0.596 25067 2555 1 5 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.350 0.296 25067 2556 1 5 . 1 1 19 19 LYS CB C 19 33.015 33.015 32.902 0.113 25067 2557 1 5 . 1 1 19 19 LYS H H 19 8.140 8.140 7.562 0.578 25067 2558 1 5 . 1 1 20 20 GLU N N 20 123.292 123.292 126.321 -3.029 25067 2559 1 5 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.379 0.161 25067 2560 1 5 . 1 1 20 20 GLU C C 20 176.413 176.413 176.228 0.185 25067 2561 1 5 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.034 0.484 25067 2562 1 5 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.680 0.863 25067 2563 1 5 . 1 1 20 20 GLU H H 20 8.645 8.645 8.303 0.342 25067 2564 1 5 . 1 1 21 21 THR N N 21 119.747 119.747 117.129 2.618 25067 2565 1 5 . 1 1 21 21 THR HA H 21 4.517 4.517 4.513 0.004 25067 2566 1 5 . 1 1 21 21 THR C C 21 173.148 173.148 173.851 -0.703 25067 2567 1 5 . 1 1 21 21 THR CA C 21 61.989 61.989 60.487 1.502 25067 2568 1 5 . 1 1 21 21 THR CB C 21 70.485 70.485 69.334 1.151 25067 2569 1 5 . 1 1 21 21 THR H H 21 8.589 8.589 8.447 0.142 25067 2570 1 5 . 1 1 22 22 THR N N 22 119.539 119.539 117.401 2.138 25067 2571 1 5 . 1 1 22 22 THR HA H 22 5.342 5.342 5.347 -0.005 25067 2572 1 5 . 1 1 22 22 THR C C 22 173.148 173.148 173.356 -0.208 25067 2573 1 5 . 1 1 22 22 THR CA C 22 60.977 60.977 60.091 0.886 25067 2574 1 5 . 1 1 22 22 THR CB C 22 70.490 70.490 71.162 -0.672 25067 2575 1 5 . 1 1 22 22 THR H H 22 8.191 8.191 8.218 -0.027 25067 2576 1 5 . 1 1 23 23 TYR N N 23 123.279 123.279 122.459 0.820 25067 2577 1 5 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.707 -0.053 25067 2578 1 5 . 1 1 23 23 TYR C C 23 173.400 173.400 174.838 -1.438 25067 2579 1 5 . 1 1 23 23 TYR CA C 23 56.982 56.982 56.895 0.087 25067 2580 1 5 . 1 1 23 23 TYR CB C 23 42.318 42.318 41.072 1.246 25067 2581 1 5 . 1 1 23 23 TYR H H 23 9.268 9.268 8.387 0.881 25067 2582 1 5 . 1 1 24 24 ASP N N 24 121.837 121.837 123.180 -1.343 25067 2583 1 5 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.508 -0.664 25067 2584 1 5 . 1 1 24 24 ASP C C 24 173.400 173.400 175.280 -1.880 25067 2585 1 5 . 1 1 24 24 ASP CA C 24 53.469 53.469 52.863 0.606 25067 2586 1 5 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.295 0.646 25067 2587 1 5 . 1 1 24 24 ASP H H 24 8.484 8.484 8.747 -0.263 25067 2588 1 5 . 1 1 25 25 LEU N N 25 126.268 126.268 121.627 4.641 25067 2589 1 5 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.521 -0.421 25067 2590 1 5 . 1 1 25 25 LEU C C 25 174.677 174.677 175.680 -1.003 25067 2591 1 5 . 1 1 25 25 LEU CA C 25 52.733 52.733 55.165 -2.432 25067 2592 1 5 . 1 1 25 25 LEU CB C 25 42.626 42.626 43.500 -0.874 25067 2593 1 5 . 1 1 25 25 LEU H H 25 8.619 8.619 8.486 0.133 25067 2594 1 5 . 1 1 26 26 TYR N N 26 123.695 123.695 113.927 9.768 25067 2595 1 5 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.601 0.034 25067 2596 1 5 . 1 1 26 26 TYR C C 26 176.833 176.833 175.145 1.688 25067 2597 1 5 . 1 1 26 26 TYR CA C 26 56.282 56.282 58.356 -2.074 25067 2598 1 5 . 1 1 26 26 TYR CB C 26 38.143 38.143 36.695 1.448 25067 2599 1 5 . 1 1 26 26 TYR H H 26 8.465 8.465 7.736 0.729 25067 2600 1 5 . 1 1 27 27 PHE N N 27 119.951 119.951 124.976 -5.025 25067 2601 1 5 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.371 0.415 25067 2602 1 5 . 1 1 27 27 PHE C C 27 176.205 176.205 174.707 1.498 25067 2603 1 5 . 1 1 27 27 PHE CA C 27 60.136 60.136 58.584 1.552 25067 2604 1 5 . 1 1 27 27 PHE CB C 27 38.455 38.455 40.876 -2.421 25067 2605 1 5 . 1 1 27 27 PHE H H 27 7.991 7.991 8.421 -0.430 25067 2606 1 5 . 1 1 28 28 SER N N 28 114.987 114.987 119.005 -4.018 25067 2607 1 5 . 1 1 28 28 SER HA H 28 4.455 4.455 4.439 0.016 25067 2608 1 5 . 1 1 28 28 SER C C 28 174.517 174.517 173.581 0.936 25067 2609 1 5 . 1 1 28 28 SER CA C 28 59.489 59.489 57.871 1.618 25067 2610 1 5 . 1 1 28 28 SER CB C 28 62.828 62.828 65.859 -3.031 25067 2611 1 5 . 1 1 28 28 SER H H 28 8.508 8.508 8.028 0.480 25067 2612 1 5 . 1 1 29 29 LYS N N 29 123.721 123.721 120.660 3.061 25067 2613 1 5 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.375 0.278 25067 2614 1 5 . 1 1 29 29 LYS C C 29 175.954 175.954 175.568 0.386 25067 2615 1 5 . 1 1 29 29 LYS CA C 29 54.695 54.695 54.224 0.471 25067 2616 1 5 . 1 1 29 29 LYS CB C 29 31.548 31.548 35.461 -3.913 25067 2617 1 5 . 1 1 29 29 LYS H H 29 7.723 7.723 7.296 0.427 25067 2618 1 5 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.339 -0.267 25067 2619 1 5 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.378 0.169 25067 2620 1 5 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.480 0.291 25067 2621 1 5 . 1 1 31 31 GLU N N 31 117.703 117.703 118.739 -1.036 25067 2622 1 5 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.134 0.044 25067 2623 1 5 . 1 1 31 31 GLU C C 31 179.251 179.251 178.645 0.606 25067 2624 1 5 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.119 0.477 25067 2625 1 5 . 1 1 31 31 GLU CB C 31 28.599 28.599 28.849 -0.250 25067 2626 1 5 . 1 1 31 31 GLU H H 31 9.034 9.034 8.832 0.202 25067 2627 1 5 . 1 1 32 32 GLU N N 32 121.084 121.084 118.839 2.245 25067 2628 1 5 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.002 0.183 25067 2629 1 5 . 1 1 32 32 GLU C C 32 179.251 179.251 178.636 0.615 25067 2630 1 5 . 1 1 32 32 GLU CA C 32 59.217 59.217 59.269 -0.052 25067 2631 1 5 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.213 0.118 25067 2632 1 5 . 1 1 32 32 GLU H H 32 8.046 8.046 8.473 -0.427 25067 2633 1 5 . 1 1 33 33 ALA N N 33 122.906 122.906 122.251 0.655 25067 2634 1 5 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.923 0.167 25067 2635 1 5 . 1 1 33 33 ALA C C 33 180.244 180.244 179.523 0.721 25067 2636 1 5 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.309 0.210 25067 2637 1 5 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.374 -0.406 25067 2638 1 5 . 1 1 33 33 ALA H H 33 8.383 8.383 7.670 0.713 25067 2639 1 5 . 1 1 34 34 LYS N N 34 119.560 119.560 118.036 1.524 25067 2640 1 5 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.182 0.008 25067 2641 1 5 . 1 1 34 34 LYS C C 34 179.198 179.198 178.564 0.634 25067 2642 1 5 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.560 -0.080 25067 2643 1 5 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.420 0.032 25067 2644 1 5 . 1 1 34 34 LYS H H 34 7.885 7.885 7.835 0.050 25067 2645 1 5 . 1 1 35 35 GLU N N 35 121.053 121.053 120.589 0.464 25067 2646 1 5 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.143 0.038 25067 2647 1 5 . 1 1 35 35 GLU C C 35 179.288 179.288 179.079 0.209 25067 2648 1 5 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.431 -0.040 25067 2649 1 5 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.565 -0.221 25067 2650 1 5 . 1 1 35 35 GLU H H 35 8.042 8.042 7.552 0.490 25067 2651 1 5 . 1 1 36 36 LEU N N 36 121.053 121.053 119.968 1.085 25067 2652 1 5 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.231 0.006 25067 2653 1 5 . 1 1 36 36 LEU C C 36 177.982 177.982 179.561 -1.579 25067 2654 1 5 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.201 0.536 25067 2655 1 5 . 1 1 36 36 LEU CB C 36 41.941 41.941 40.804 1.137 25067 2656 1 5 . 1 1 36 36 LEU H H 36 8.434 8.434 8.264 0.170 25067 2657 1 5 . 1 1 37 37 LEU N N 37 120.035 120.035 121.586 -1.551 25067 2658 1 5 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.950 -0.334 25067 2659 1 5 . 1 1 37 37 LEU C C 37 178.070 178.070 178.120 -0.050 25067 2660 1 5 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.986 0.563 25067 2661 1 5 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.944 0.204 25067 2662 1 5 . 1 1 37 37 LEU H H 37 7.883 7.883 8.668 -0.785 25067 2663 1 5 . 1 1 38 38 LYS N N 38 116.604 116.604 117.002 -0.398 25067 2664 1 5 . 1 1 38 38 LYS HA H 38 3.796 3.796 4.039 -0.243 25067 2665 1 5 . 1 1 38 38 LYS C C 38 178.246 178.246 179.027 -0.781 25067 2666 1 5 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.075 0.440 25067 2667 1 5 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.014 0.582 25067 2668 1 5 . 1 1 38 38 LYS H H 38 7.102 7.102 7.814 -0.712 25067 2669 1 5 . 1 1 39 39 LYS N N 39 118.823 118.823 120.862 -2.039 25067 2670 1 5 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.078 0.077 25067 2671 1 5 . 1 1 39 39 LYS C C 39 179.464 179.464 178.934 0.530 25067 2672 1 5 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.413 -0.287 25067 2673 1 5 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.515 0.179 25067 2674 1 5 . 1 1 39 39 LYS H H 39 7.752 7.752 7.660 0.092 25067 2675 1 5 . 1 1 40 40 VAL N N 40 119.336 119.336 119.223 0.113 25067 2676 1 5 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.537 -0.184 25067 2677 1 5 . 1 1 40 40 VAL C C 40 178.612 178.612 177.923 0.689 25067 2678 1 5 . 1 1 40 40 VAL CA C 40 66.336 66.336 65.605 0.731 25067 2679 1 5 . 1 1 40 40 VAL CB C 40 31.152 31.152 30.917 0.235 25067 2680 1 5 . 1 1 40 40 VAL H H 40 8.925 8.925 8.082 0.843 25067 2681 1 5 . 1 1 41 41 ALA N N 41 120.709 120.709 122.462 -1.753 25067 2682 1 5 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.972 -0.077 25067 2683 1 5 . 1 1 41 41 ALA C C 41 179.163 179.163 179.419 -0.256 25067 2684 1 5 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.214 -0.189 25067 2685 1 5 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.526 0.170 25067 2686 1 5 . 1 1 41 41 ALA H H 41 8.001 8.001 7.923 0.078 25067 2687 1 5 . 1 1 42 42 GLU N N 42 117.330 117.330 117.528 -0.198 25067 2688 1 5 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.042 -0.106 25067 2689 1 5 . 1 1 42 42 GLU C C 42 179.452 179.452 178.950 0.502 25067 2690 1 5 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.068 0.543 25067 2691 1 5 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.355 0.384 25067 2692 1 5 . 1 1 42 42 GLU H H 42 8.197 8.197 7.874 0.323 25067 2693 1 5 . 1 1 43 43 LYS N N 43 119.586 119.586 119.218 0.368 25067 2694 1 5 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.357 -0.159 25067 2695 1 5 . 1 1 43 43 LYS C C 43 179.595 179.595 178.905 0.690 25067 2696 1 5 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.702 1.067 25067 2697 1 5 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.872 0.199 25067 2698 1 5 . 1 1 43 43 LYS H H 43 8.119 8.119 7.957 0.162 25067 2699 1 5 . 1 1 44 44 ALA N N 44 121.948 121.948 121.595 0.353 25067 2700 1 5 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.091 0.175 25067 2701 1 5 . 1 1 44 44 ALA C C 44 178.937 178.937 178.889 0.048 25067 2702 1 5 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.927 0.063 25067 2703 1 5 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.258 -0.457 25067 2704 1 5 . 1 1 44 44 ALA H H 44 8.396 8.396 7.923 0.473 25067 2705 1 5 . 1 1 45 45 ALA N N 45 118.814 118.814 120.388 -1.574 25067 2706 1 5 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.907 0.050 25067 2707 1 5 . 1 1 45 45 ALA C C 45 178.887 178.887 179.341 -0.454 25067 2708 1 5 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.803 0.765 25067 2709 1 5 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.079 -0.052 25067 2710 1 5 . 1 1 45 45 ALA H H 45 8.519 8.519 7.624 0.895 25067 2711 1 5 . 1 1 46 46 ASP N N 46 116.930 116.930 118.168 -1.238 25067 2712 1 5 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.402 -0.003 25067 2713 1 5 . 1 1 46 46 ASP C C 46 178.020 178.020 178.656 -0.636 25067 2714 1 5 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.604 0.036 25067 2715 1 5 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.623 1.214 25067 2716 1 5 . 1 1 46 46 ASP H H 46 7.852 7.852 8.134 -0.282 25067 2717 1 5 . 1 1 47 47 LYS N N 47 119.467 119.467 118.834 0.633 25067 2718 1 5 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.139 -0.046 25067 2719 1 5 . 1 1 47 47 LYS C C 47 178.924 178.924 178.869 0.055 25067 2720 1 5 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.153 1.519 25067 2721 1 5 . 1 1 47 47 LYS CB C 47 32.511 32.511 31.985 0.526 25067 2722 1 5 . 1 1 47 47 LYS H H 47 7.692 7.692 7.562 0.130 25067 2723 1 5 . 1 1 48 48 ILE N N 48 119.929 119.929 119.111 0.818 25067 2724 1 5 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.906 -0.166 25067 2725 1 5 . 1 1 48 48 ILE C C 48 179.025 179.025 177.985 1.040 25067 2726 1 5 . 1 1 48 48 ILE CA C 48 64.978 64.978 64.771 0.207 25067 2727 1 5 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.713 0.579 25067 2728 1 5 . 1 1 48 48 ILE H H 48 8.585 8.585 7.708 0.877 25067 2729 1 5 . 1 1 49 49 LYS N N 49 119.534 119.534 120.207 -0.673 25067 2730 1 5 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.048 -0.031 25067 2731 1 5 . 1 1 49 49 LYS C C 49 179.025 179.025 177.556 1.469 25067 2732 1 5 . 1 1 49 49 LYS CA C 49 59.647 59.647 59.068 0.579 25067 2733 1 5 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.315 0.286 25067 2734 1 5 . 1 1 49 49 LYS H H 49 8.353 8.353 7.973 0.380 25067 2735 1 5 . 1 1 50 50 LYS N N 50 117.423 117.423 116.084 1.339 25067 2736 1 5 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.114 0.102 25067 2737 1 5 . 1 1 50 50 LYS C C 50 178.510 178.510 178.343 0.167 25067 2738 1 5 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.536 -0.039 25067 2739 1 5 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.901 0.421 25067 2740 1 5 . 1 1 50 50 LYS H H 50 7.996 7.996 7.523 0.473 25067 2741 1 5 . 1 1 51 51 GLN N N 51 115.137 115.137 114.269 0.868 25067 2742 1 5 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.262 0.219 25067 2743 1 5 . 1 1 51 51 GLN C C 51 177.292 177.292 176.004 1.288 25067 2744 1 5 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.588 0.419 25067 2745 1 5 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.861 -1.921 25067 2746 1 5 . 1 1 51 51 GLN H H 51 8.384 8.384 7.806 0.578 25067 2747 1 5 . 1 1 52 52 GLY N N 52 109.119 109.119 108.321 0.798 25067 2748 1 5 . 1 1 52 52 GLY C C 52 174.391 174.391 173.696 0.695 25067 2749 1 5 . 1 1 52 52 GLY CA C 52 46.560 46.560 44.577 1.983 25067 2750 1 5 . 1 1 52 52 GLY H H 52 8.218 8.218 7.824 0.394 25067 2751 1 5 . 1 1 53 53 CYS N N 53 116.935 116.935 122.705 -5.770 25067 2752 1 5 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.455 0.030 25067 2753 1 5 . 1 1 53 53 CYS C C 53 173.989 173.989 176.309 -2.320 25067 2754 1 5 . 1 1 53 53 CYS CA C 53 58.148 58.148 59.802 -1.654 25067 2755 1 5 . 1 1 53 53 CYS CB C 53 28.714 28.714 26.163 2.551 25067 2756 1 5 . 1 1 53 53 CYS H H 53 7.623 7.623 8.480 -0.857 25067 2757 1 5 . 1 1 54 54 LYS N N 54 120.659 120.659 121.390 -0.731 25067 2758 1 5 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.380 0.120 25067 2759 1 5 . 1 1 54 54 LYS C C 54 174.793 174.793 175.966 -1.173 25067 2760 1 5 . 1 1 54 54 LYS CA C 54 56.326 56.326 57.665 -1.339 25067 2761 1 5 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.866 0.844 25067 2762 1 5 . 1 1 54 54 LYS H H 54 8.765 8.765 7.987 0.778 25067 2763 1 5 . 1 1 55 55 ARG N N 55 117.927 117.927 119.495 -1.568 25067 2764 1 5 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.825 0.618 25067 2765 1 5 . 1 1 55 55 ARG C C 55 174.517 174.517 173.636 0.881 25067 2766 1 5 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.518 -0.929 25067 2767 1 5 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.665 0.951 25067 2768 1 5 . 1 1 55 55 ARG H H 55 7.603 7.603 7.573 0.030 25067 2769 1 5 . 1 1 56 56 VAL N N 56 122.079 122.079 125.957 -3.878 25067 2770 1 5 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.371 0.454 25067 2771 1 5 . 1 1 56 56 VAL C C 56 173.311 173.311 174.587 -1.276 25067 2772 1 5 . 1 1 56 56 VAL CA C 56 60.285 60.285 61.080 -0.795 25067 2773 1 5 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.866 0.064 25067 2774 1 5 . 1 1 56 56 VAL H H 56 8.853 8.853 8.781 0.072 25067 2775 1 5 . 1 1 57 57 LYS N N 57 125.849 125.849 126.109 -0.260 25067 2776 1 5 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.646 0.958 25067 2777 1 5 . 1 1 57 57 LYS C C 57 174.881 174.881 174.842 0.039 25067 2778 1 5 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.355 -0.618 25067 2779 1 5 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.442 1.493 25067 2780 1 5 . 1 1 57 57 LYS H H 57 8.819 8.819 8.915 -0.096 25067 2781 1 5 . 1 1 58 58 ILE N N 58 125.213 125.213 126.129 -0.916 25067 2782 1 5 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.355 0.812 25067 2783 1 5 . 1 1 58 58 ILE C C 58 174.981 174.981 174.395 0.586 25067 2784 1 5 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.865 -0.269 25067 2785 1 5 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.786 2.073 25067 2786 1 5 . 1 1 58 58 ILE H H 58 9.204 9.204 8.646 0.558 25067 2787 1 5 . 1 1 59 59 ARG N N 59 124.047 124.047 128.537 -4.490 25067 2788 1 5 . 1 1 59 59 ARG HA H 59 6.101 6.101 4.826 1.275 25067 2789 1 5 . 1 1 59 59 ARG C C 59 175.144 175.144 174.113 1.031 25067 2790 1 5 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.559 -0.468 25067 2791 1 5 . 1 1 59 59 ARG CB C 59 36.035 36.035 34.439 1.596 25067 2792 1 5 . 1 1 59 59 ARG H H 59 9.467 9.467 8.882 0.585 25067 2793 1 5 . 1 1 60 60 PHE N N 60 113.223 113.223 123.972 -10.749 25067 2794 1 5 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.045 0.159 25067 2795 1 5 . 1 1 60 60 PHE C C 60 173.110 173.110 173.310 -0.200 25067 2796 1 5 . 1 1 60 60 PHE CA C 60 56.931 56.931 57.098 -0.167 25067 2797 1 5 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.242 -0.862 25067 2798 1 5 . 1 1 60 60 PHE H H 60 8.451 8.451 8.163 0.288 25067 2799 1 5 . 1 1 61 61 GLU N N 61 121.333 121.333 126.289 -4.956 25067 2800 1 5 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.175 0.469 25067 2801 1 5 . 1 1 61 61 GLU C C 61 177.147 177.147 176.369 0.778 25067 2802 1 5 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.128 -0.163 25067 2803 1 5 . 1 1 61 61 GLU CB C 61 30.698 30.698 29.175 1.523 25067 2804 1 5 . 1 1 61 61 GLU H H 61 9.572 9.572 8.037 1.535 25067 2805 1 5 . 1 1 62 62 LYS N N 62 121.311 121.311 126.536 -5.225 25067 2806 1 5 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.363 -0.020 25067 2807 1 5 . 1 1 62 62 LYS C C 62 177.398 177.398 175.416 1.982 25067 2808 1 5 . 1 1 62 62 LYS CA C 62 58.185 58.185 54.575 3.610 25067 2809 1 5 . 1 1 62 62 LYS CB C 62 32.937 32.937 30.709 2.228 25067 2810 1 5 . 1 1 62 62 LYS H H 62 8.160 8.160 8.175 -0.015 25067 2811 1 5 . 1 1 63 63 LYS N N 63 120.742 120.742 119.509 1.233 25067 2812 1 5 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.371 -0.253 25067 2813 1 5 . 1 1 63 63 LYS C C 63 177.015 177.015 175.857 1.158 25067 2814 1 5 . 1 1 63 63 LYS CA C 63 58.693 58.693 55.658 3.035 25067 2815 1 5 . 1 1 63 63 LYS CB C 63 31.677 31.677 34.471 -2.794 25067 2816 1 5 . 1 1 63 63 LYS H H 63 8.028 8.028 7.542 0.486 25067 2817 1 5 . 1 1 64 64 GLY C C 64 174.039 174.039 173.581 0.458 25067 2818 1 5 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.569 -0.706 25067 2819 1 5 . 1 1 65 65 LEU N N 65 119.849 119.849 117.050 2.799 25067 2820 1 5 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.814 -0.190 25067 2821 1 5 . 1 1 65 65 LEU C C 65 177.493 177.493 176.294 1.199 25067 2822 1 5 . 1 1 65 65 LEU CA C 65 54.128 54.128 52.828 1.300 25067 2823 1 5 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.823 0.863 25067 2824 1 5 . 1 1 65 65 LEU H H 65 7.836 7.836 7.293 0.543 25067 2825 1 5 . 1 1 66 66 ASP N N 66 123.296 123.296 120.692 2.604 25067 2826 1 5 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.515 0.157 25067 2827 1 5 . 1 1 66 66 ASP C C 66 175.471 175.471 176.988 -1.517 25067 2828 1 5 . 1 1 66 66 ASP CA C 66 52.820 52.820 53.857 -1.037 25067 2829 1 5 . 1 1 66 66 ASP CB C 66 41.017 41.017 43.016 -1.999 25067 2830 1 5 . 1 1 66 66 ASP H H 66 8.226 8.226 8.294 -0.068 25067 2831 1 5 . 1 1 67 67 ASP N N 67 118.859 118.859 120.664 -1.805 25067 2832 1 5 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.302 -0.059 25067 2833 1 5 . 1 1 67 67 ASP C C 67 178.121 178.121 177.865 0.256 25067 2834 1 5 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.248 1.226 25067 2835 1 5 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.069 -0.002 25067 2836 1 5 . 1 1 67 67 ASP H H 67 8.529 8.529 8.692 -0.163 25067 2837 1 5 . 1 1 68 68 ASP N N 68 119.187 119.187 119.352 -0.165 25067 2838 1 5 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.410 -0.070 25067 2839 1 5 . 1 1 68 68 ASP C C 68 177.807 177.807 177.998 -0.191 25067 2840 1 5 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.421 0.060 25067 2841 1 5 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.786 0.673 25067 2842 1 5 . 1 1 68 68 ASP H H 68 8.244 8.244 8.250 -0.006 25067 2843 1 5 . 1 1 69 69 ALA N N 69 122.537 122.537 121.335 1.202 25067 2844 1 5 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.216 -0.588 25067 2845 1 5 . 1 1 69 69 ALA C C 69 179.452 179.452 179.542 -0.090 25067 2846 1 5 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.715 0.301 25067 2847 1 5 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.610 0.553 25067 2848 1 5 . 1 1 69 69 ALA H H 69 8.191 8.191 8.155 0.036 25067 2849 1 5 . 1 1 70 70 ARG N N 70 115.799 115.799 119.230 -3.431 25067 2850 1 5 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.981 -0.258 25067 2851 1 5 . 1 1 70 70 ARG C C 70 178.183 178.183 178.009 0.174 25067 2852 1 5 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.475 0.873 25067 2853 1 5 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.165 0.447 25067 2854 1 5 . 1 1 70 70 ARG H H 70 8.419 8.419 8.371 0.048 25067 2855 1 5 . 1 1 71 71 LYS N N 71 118.170 118.170 119.403 -1.233 25067 2856 1 5 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.983 -0.146 25067 2857 1 5 . 1 1 71 71 LYS C C 71 179.891 179.891 178.843 1.048 25067 2858 1 5 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.374 0.276 25067 2859 1 5 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.211 0.208 25067 2860 1 5 . 1 1 71 71 LYS H H 71 7.781 7.781 7.797 -0.016 25067 2861 1 5 . 1 1 72 72 LYS N N 72 119.730 119.730 118.850 0.880 25067 2862 1 5 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.052 -0.316 25067 2863 1 5 . 1 1 72 72 LYS C C 72 178.874 178.874 178.363 0.511 25067 2864 1 5 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.393 1.180 25067 2865 1 5 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.952 0.441 25067 2866 1 5 . 1 1 72 72 LYS H H 72 7.835 7.835 7.916 -0.081 25067 2867 1 5 . 1 1 73 73 ALA N N 73 123.068 123.068 120.815 2.253 25067 2868 1 5 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.724 0.031 25067 2869 1 5 . 1 1 73 73 ALA C C 73 178.246 178.246 179.411 -1.165 25067 2870 1 5 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.629 0.721 25067 2871 1 5 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.919 -0.273 25067 2872 1 5 . 1 1 73 73 ALA H H 73 8.343 8.343 7.629 0.714 25067 2873 1 5 . 1 1 74 74 LYS N N 74 117.936 117.936 119.274 -1.338 25067 2874 1 5 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.812 -0.168 25067 2875 1 5 . 1 1 74 74 LYS C C 74 177.694 177.694 178.543 -0.849 25067 2876 1 5 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.440 0.881 25067 2877 1 5 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.246 0.429 25067 2878 1 5 . 1 1 74 74 LYS H H 74 7.934 7.934 7.761 0.173 25067 2879 1 5 . 1 1 75 75 LYS N N 75 116.863 116.863 119.373 -2.510 25067 2880 1 5 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.038 -0.059 25067 2881 1 5 . 1 1 75 75 LYS C C 75 178.884 178.884 178.702 0.182 25067 2882 1 5 . 1 1 75 75 LYS CA C 75 59.409 59.409 58.763 0.646 25067 2883 1 5 . 1 1 75 75 LYS CB C 75 32.497 32.497 31.907 0.591 25067 2884 1 5 . 1 1 75 75 LYS H H 75 7.371 7.371 7.801 -0.430 25067 2885 1 5 . 1 1 76 76 TRP N N 76 121.108 121.108 121.339 -0.231 25067 2886 1 5 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.457 -0.260 25067 2887 1 5 . 1 1 76 76 TRP C C 76 177.618 177.618 177.897 -0.279 25067 2888 1 5 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.511 0.215 25067 2889 1 5 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.122 0.871 25067 2890 1 5 . 1 1 76 76 TRP H H 76 8.156 8.156 8.201 -0.045 25067 2891 1 5 . 1 1 77 77 ALA N N 77 120.099 120.099 120.665 -0.566 25067 2892 1 5 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.713 0.386 25067 2893 1 5 . 1 1 77 77 ALA C C 77 179.125 179.125 179.578 -0.453 25067 2894 1 5 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.838 0.810 25067 2895 1 5 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.511 -0.192 25067 2896 1 5 . 1 1 77 77 ALA H H 77 8.883 8.883 7.824 1.059 25067 2897 1 5 . 1 1 78 78 LEU N N 78 116.584 116.584 118.709 -2.125 25067 2898 1 5 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.896 0.235 25067 2899 1 5 . 1 1 78 78 LEU C C 78 179.828 179.828 179.106 0.722 25067 2900 1 5 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.734 0.109 25067 2901 1 5 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.633 0.065 25067 2902 1 5 . 1 1 78 78 LEU H H 78 8.238 8.238 7.696 0.542 25067 2903 1 5 . 1 1 79 79 GLU N N 79 121.435 121.435 119.636 1.799 25067 2904 1 5 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.922 0.181 25067 2905 1 5 . 1 1 79 79 GLU C C 79 180.004 180.004 179.184 0.820 25067 2906 1 5 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.601 -0.231 25067 2907 1 5 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.648 -0.526 25067 2908 1 5 . 1 1 79 79 GLU H H 79 8.296 8.296 8.039 0.257 25067 2909 1 5 . 1 1 80 80 VAL N N 80 122.863 122.863 115.811 7.052 25067 2910 1 5 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.550 -0.195 25067 2911 1 5 . 1 1 80 80 VAL C C 80 177.044 177.044 177.312 -0.268 25067 2912 1 5 . 1 1 80 80 VAL CA C 80 66.469 66.469 65.698 0.771 25067 2913 1 5 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.405 0.293 25067 2914 1 5 . 1 1 80 80 VAL H H 80 8.603 8.603 7.832 0.771 25067 2915 1 5 . 1 1 81 81 ALA N N 81 122.490 122.490 123.234 -0.744 25067 2916 1 5 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.816 -0.083 25067 2917 1 5 . 1 1 81 81 ALA C C 81 178.529 178.529 179.446 -0.917 25067 2918 1 5 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.372 0.273 25067 2919 1 5 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.278 0.137 25067 2920 1 5 . 1 1 81 81 ALA H H 81 7.684 7.684 7.327 0.357 25067 2921 1 5 . 1 1 82 82 ASN N N 82 114.569 114.569 114.812 -0.243 25067 2922 1 5 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.463 -0.085 25067 2923 1 5 . 1 1 82 82 ASN C C 82 177.505 177.505 177.399 0.106 25067 2924 1 5 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.661 0.542 25067 2925 1 5 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.453 0.381 25067 2926 1 5 . 1 1 82 82 ASN H H 82 7.752 7.752 7.971 -0.219 25067 2927 1 5 . 1 1 83 83 LYS N N 83 121.384 121.384 121.562 -0.178 25067 2928 1 5 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.091 0.003 25067 2929 1 5 . 1 1 83 83 LYS C C 83 179.037 179.037 178.507 0.530 25067 2930 1 5 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.243 0.832 25067 2931 1 5 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.922 0.226 25067 2932 1 5 . 1 1 83 83 LYS H H 83 8.343 8.343 7.854 0.489 25067 2933 1 5 . 1 1 84 84 ILE N N 84 120.298 120.298 118.941 1.357 25067 2934 1 5 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.708 -0.223 25067 2935 1 5 . 1 1 84 84 ILE C C 84 177.063 177.063 178.009 -0.946 25067 2936 1 5 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.097 1.091 25067 2937 1 5 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.853 0.535 25067 2938 1 5 . 1 1 84 84 ILE H H 84 8.496 8.496 7.809 0.687 25067 2939 1 5 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.893 -0.077 25067 2940 1 5 . 1 1 85 85 ALA C C 85 179.891 179.891 179.010 0.881 25067 2941 1 5 . 1 1 85 85 ALA CA C 85 55.791 55.791 54.864 0.928 25067 2942 1 5 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.376 -0.328 25067 2943 1 5 . 1 1 85 85 ALA H H 85 7.768 7.768 7.772 -0.004 25067 2944 1 5 . 1 1 86 86 ASN N N 86 116.155 116.155 116.209 -0.054 25067 2945 1 5 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.481 0.054 25067 2946 1 5 . 1 1 86 86 ASN C C 86 178.423 178.423 177.274 1.149 25067 2947 1 5 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.609 0.497 25067 2948 1 5 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.605 0.179 25067 2949 1 5 . 1 1 86 86 ASN H H 86 8.355 8.355 7.783 0.572 25067 2950 1 5 . 1 1 87 87 GLU N N 87 120.806 120.806 118.490 2.316 25067 2951 1 5 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.134 0.042 25067 2952 1 5 . 1 1 87 87 GLU C C 87 178.381 178.381 177.223 1.158 25067 2953 1 5 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.419 0.490 25067 2954 1 5 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.789 -0.137 25067 2955 1 5 . 1 1 87 87 GLU H H 87 8.431 8.431 8.088 0.343 25067 2956 1 5 . 1 1 88 88 LEU N N 88 115.825 115.825 115.686 0.139 25067 2957 1 5 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.581 -0.225 25067 2958 1 5 . 1 1 88 88 LEU C C 88 177.442 177.442 178.068 -0.626 25067 2959 1 5 . 1 1 88 88 LEU CA C 88 54.577 54.577 54.568 0.009 25067 2960 1 5 . 1 1 88 88 LEU CB C 88 43.500 43.500 43.017 0.484 25067 2961 1 5 . 1 1 88 88 LEU H H 88 7.547 7.547 7.142 0.405 25067 2962 1 5 . 1 1 89 89 GLY N N 89 109.579 109.579 107.410 2.169 25067 2963 1 5 . 1 1 89 89 GLY C C 89 174.321 174.321 174.855 -0.534 25067 2964 1 5 . 1 1 89 89 GLY CA C 89 46.508 46.508 46.331 0.177 25067 2965 1 5 . 1 1 89 89 GLY H H 89 7.934 7.934 8.160 -0.226 25067 2966 1 5 . 1 1 90 90 ALA N N 90 120.990 120.990 124.092 -3.102 25067 2967 1 5 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.030 0.619 25067 2968 1 5 . 1 1 90 90 ALA C C 90 177.053 177.053 176.622 0.431 25067 2969 1 5 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.739 -2.665 25067 2970 1 5 . 1 1 90 90 ALA CB C 90 21.819 21.819 17.787 4.032 25067 2971 1 5 . 1 1 90 90 ALA H H 90 8.017 8.017 8.081 -0.064 25067 2972 1 5 . 1 1 91 91 LYS N N 91 120.615 120.615 120.769 -0.154 25067 2973 1 5 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.474 -0.058 25067 2974 1 5 . 1 1 91 91 LYS C C 91 175.765 175.765 175.319 0.446 25067 2975 1 5 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.964 0.215 25067 2976 1 5 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.893 -1.151 25067 2977 1 5 . 1 1 91 91 LYS H H 91 8.366 8.366 8.566 -0.200 25067 2978 1 5 . 1 1 92 92 GLN N N 92 119.273 119.273 117.012 2.261 25067 2979 1 5 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.560 0.601 25067 2980 1 5 . 1 1 92 92 GLN C C 92 175.136 175.136 173.625 1.511 25067 2981 1 5 . 1 1 92 92 GLN CA C 92 54.110 54.110 54.661 -0.551 25067 2982 1 5 . 1 1 92 92 GLN CB C 92 30.681 30.681 32.117 -1.436 25067 2983 1 5 . 1 1 92 92 GLN H H 92 8.495 8.495 7.997 0.498 25067 2984 1 5 . 1 1 93 93 SER N N 93 117.003 117.003 114.305 2.698 25067 2985 1 5 . 1 1 93 93 SER HA H 93 4.781 4.781 4.839 -0.058 25067 2986 1 5 . 1 1 93 93 SER C C 93 173.735 173.735 173.740 -0.005 25067 2987 1 5 . 1 1 93 93 SER CA C 93 57.819 57.819 57.225 0.594 25067 2988 1 5 . 1 1 93 93 SER CB C 93 64.648 64.648 65.794 -1.146 25067 2989 1 5 . 1 1 93 93 SER H H 93 8.441 8.441 8.364 0.077 25067 2990 1 5 . 1 1 94 94 THR HA H 94 4.781 4.781 4.566 0.215 25067 2991 1 5 . 1 1 94 94 THR CA C 94 61.111 61.111 61.393 -0.282 25067 2992 1 5 . 1 1 94 94 THR CB C 94 71.032 71.032 70.247 0.785 25067 2993 1 5 . 1 1 95 95 THR N N 95 119.923 119.923 119.708 0.215 25067 2994 1 5 . 1 1 95 95 THR HA H 95 5.098 5.098 4.727 0.371 25067 2995 1 5 . 1 1 95 95 THR CA C 95 60.438 60.438 60.365 0.073 25067 2996 1 5 . 1 1 95 95 THR CB C 95 70.780 70.780 70.009 0.771 25067 2997 1 5 . 1 1 95 95 THR H H 95 8.762 8.762 8.362 0.400 25067 2998 1 5 . 1 1 96 96 THR HA H 96 4.367 4.367 4.444 -0.077 25067 2999 1 5 . 1 1 96 96 THR CA C 96 61.740 61.740 62.844 -1.104 25067 3000 1 5 . 1 1 96 96 THR CB C 96 70.992 70.992 69.141 1.851 25067 3001 1 5 . 1 1 97 97 THR N N 97 120.315 120.315 120.815 -0.500 25067 3002 1 5 . 1 1 97 97 THR HA H 97 5.363 5.363 4.930 0.433 25067 3003 1 5 . 1 1 97 97 THR CA C 97 61.379 61.379 62.060 -0.681 25067 3004 1 5 . 1 1 97 97 THR CB C 97 71.216 71.216 69.843 1.373 25067 3005 1 5 . 1 1 97 97 THR H H 97 8.999 8.999 8.485 0.514 25067 3006 1 5 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.753 0.439 25067 3007 1 5 . 1 1 98 98 ASP C C 98 175.672 175.672 176.063 -0.391 25067 3008 1 5 . 1 1 98 98 ASP CA C 98 52.593 52.593 53.496 -0.903 25067 3009 1 5 . 1 1 98 98 ASP CB C 98 41.735 41.735 43.347 -1.612 25067 3010 1 5 . 1 1 99 99 GLY N N 99 111.919 111.919 109.223 2.696 25067 3011 1 5 . 1 1 99 99 GLY C C 99 174.049 174.049 174.275 -0.226 25067 3012 1 5 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.292 -1.266 25067 3013 1 5 . 1 1 99 99 GLY H H 99 7.817 7.817 8.435 -0.618 25067 3014 1 5 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.622 -0.068 25067 3015 1 5 . 1 1 100 100 ASP C C 100 177.518 177.518 175.918 1.600 25067 3016 1 5 . 1 1 100 100 ASP CA C 100 57.488 57.488 56.141 1.347 25067 3017 1 5 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.973 -0.336 25067 3018 1 5 . 1 1 101 101 THR N N 101 112.835 112.835 110.261 2.574 25067 3019 1 5 . 1 1 101 101 THR HA H 101 4.613 4.613 4.883 -0.270 25067 3020 1 5 . 1 1 101 101 THR C C 101 173.003 173.003 173.348 -0.345 25067 3021 1 5 . 1 1 101 101 THR CA C 101 60.857 60.857 60.698 0.159 25067 3022 1 5 . 1 1 101 101 THR CB C 101 70.589 70.589 71.366 -0.777 25067 3023 1 5 . 1 1 101 101 THR H H 101 7.819 7.819 7.855 -0.036 25067 3024 1 5 . 1 1 102 102 PHE N N 102 126.633 126.633 125.116 1.517 25067 3025 1 5 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.927 -0.036 25067 3026 1 5 . 1 1 102 102 PHE C C 102 173.286 173.286 173.995 -0.709 25067 3027 1 5 . 1 1 102 102 PHE CA C 102 57.173 57.173 56.458 0.715 25067 3028 1 5 . 1 1 102 102 PHE CB C 102 40.719 40.719 41.627 -0.908 25067 3029 1 5 . 1 1 102 102 PHE H H 102 8.581 8.581 8.711 -0.130 25067 3030 1 5 . 1 1 103 103 GLU N N 103 125.528 125.528 128.723 -3.195 25067 3031 1 5 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.059 0.178 25067 3032 1 5 . 1 1 103 103 GLU C C 103 173.851 173.851 174.525 -0.674 25067 3033 1 5 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.196 -0.136 25067 3034 1 5 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.241 1.077 25067 3035 1 5 . 1 1 103 103 GLU H H 103 7.986 7.986 8.394 -0.408 25067 3036 1 5 . 1 1 104 104 VAL N N 104 124.582 124.582 127.313 -2.731 25067 3037 1 5 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.306 0.338 25067 3038 1 5 . 1 1 104 104 VAL C C 104 173.763 173.763 174.856 -1.093 25067 3039 1 5 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.036 -1.073 25067 3040 1 5 . 1 1 104 104 VAL CB C 104 34.370 34.370 32.657 1.712 25067 3041 1 5 . 1 1 104 104 VAL H H 104 9.245 9.245 8.681 0.564 25067 3042 1 5 . 1 1 105 105 GLU N N 105 127.755 127.755 128.982 -1.227 25067 3043 1 5 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.844 0.408 25067 3044 1 5 . 1 1 105 105 GLU C C 105 174.572 174.572 175.437 -0.865 25067 3045 1 5 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.997 -0.638 25067 3046 1 5 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.079 1.739 25067 3047 1 5 . 1 1 105 105 GLU H H 105 9.040 9.040 8.514 0.526 25067 3048 1 5 . 1 1 106 106 VAL N N 106 127.452 127.452 125.387 2.065 25067 3049 1 5 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.208 0.559 25067 3050 1 5 . 1 1 106 106 VAL C C 106 174.692 174.692 174.797 -0.105 25067 3051 1 5 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.450 -1.026 25067 3052 1 5 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.290 1.852 25067 3053 1 5 . 1 1 106 106 VAL H H 106 9.315 9.315 8.503 0.812 25067 3054 1 5 . 1 1 107 107 ILE N N 107 127.006 127.006 129.752 -2.746 25067 3055 1 5 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.370 0.247 25067 3056 1 5 . 1 1 107 107 ILE C C 107 176.187 176.187 174.943 1.244 25067 3057 1 5 . 1 1 107 107 ILE CA C 107 60.406 60.406 60.041 0.365 25067 3058 1 5 . 1 1 107 107 ILE CB C 107 38.521 38.521 37.461 1.060 25067 3059 1 5 . 1 1 107 107 ILE H H 107 8.814 8.814 8.679 0.135 25067 3060 1 5 . 1 1 108 108 LEU N N 108 128.313 128.313 128.997 -0.684 25067 3061 1 5 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.557 0.200 25067 3062 1 5 . 1 1 108 108 LEU C C 108 176.058 176.058 175.927 0.131 25067 3063 1 5 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.767 0.357 25067 3064 1 5 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.416 1.658 25067 3065 1 5 . 1 1 108 108 LEU H H 108 8.652 8.652 7.897 0.755 25067 3066 1 5 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.384 0.148 25067 3067 1 5 . 1 1 109 109 GLU C C 109 175.408 175.408 175.194 0.214 25067 3068 1 5 . 1 1 109 109 GLU CA C 109 55.361 55.361 56.045 -0.684 25067 3069 1 5 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.365 1.282 25067 3070 1 5 . 1 1 110 110 LEU N N 110 125.467 125.467 126.173 -0.706 25067 3071 1 5 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.611 -0.210 25067 3072 1 5 . 1 1 110 110 LEU C C 110 176.854 176.854 176.782 0.072 25067 3073 1 5 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.014 0.955 25067 3074 1 5 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.658 -0.143 25067 3075 1 5 . 1 1 110 110 LEU H H 110 8.402 8.402 7.911 0.491 25067 3076 1 5 . 1 1 111 111 GLU N N 111 121.575 121.575 125.699 -4.124 25067 3077 1 5 . 1 1 111 111 GLU HA H 111 4.261 4.261 3.937 0.324 25067 3078 1 5 . 1 1 111 111 GLU CA C 111 56.521 56.521 56.018 0.503 25067 3079 1 5 . 1 1 111 111 GLU CB C 111 30.291 30.291 28.612 1.679 25067 3080 1 5 . 1 1 111 111 GLU H H 111 8.607 8.607 8.947 -0.340 25067 3081 1 6 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.579 -0.459 25067 3082 1 6 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.288 -0.126 25067 3083 1 6 . 1 1 2 2 ALA CB C 2 19.392 19.392 20.509 -1.117 25067 3084 1 6 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.039 0.339 25067 3085 1 6 . 1 1 4 4 LYS C C 4 176.563 176.563 175.138 1.425 25067 3086 1 6 . 1 1 4 4 LYS CA C 4 56.384 56.384 56.909 -0.525 25067 3087 1 6 . 1 1 4 4 LYS CB C 4 33.156 33.156 32.751 0.405 25067 3088 1 6 . 1 1 5 5 GLU N N 5 122.511 122.511 121.967 0.544 25067 3089 1 6 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.451 -0.074 25067 3090 1 6 . 1 1 5 5 GLU C C 5 176.099 176.099 174.976 1.123 25067 3091 1 6 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.644 -0.260 25067 3092 1 6 . 1 1 5 5 GLU CB C 5 29.803 29.803 30.532 -0.729 25067 3093 1 6 . 1 1 5 5 GLU H H 5 8.601 8.601 8.424 0.177 25067 3094 1 6 . 1 1 6 6 LEU N N 6 124.063 124.063 123.607 0.456 25067 3095 1 6 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.381 0.018 25067 3096 1 6 . 1 1 6 6 LEU C C 6 175.082 175.082 175.280 -0.198 25067 3097 1 6 . 1 1 6 6 LEU CA C 6 54.725 54.725 53.740 0.985 25067 3098 1 6 . 1 1 6 6 LEU CB C 6 42.213 42.213 42.183 0.030 25067 3099 1 6 . 1 1 6 6 LEU H H 6 8.409 8.409 8.294 0.115 25067 3100 1 6 . 1 1 7 7 ARG N N 7 122.244 122.244 126.097 -3.853 25067 3101 1 6 . 1 1 7 7 ARG HA H 7 4.445 4.445 3.634 0.811 25067 3102 1 6 . 1 1 7 7 ARG C C 7 174.768 174.768 173.593 1.175 25067 3103 1 6 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.218 -0.528 25067 3104 1 6 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.482 1.608 25067 3105 1 6 . 1 1 7 7 ARG H H 7 8.016 8.016 8.412 -0.396 25067 3106 1 6 . 1 1 8 8 VAL N N 8 123.767 123.767 125.898 -2.131 25067 3107 1 6 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.487 -0.195 25067 3108 1 6 . 1 1 8 8 VAL C C 8 173.562 173.562 173.790 -0.228 25067 3109 1 6 . 1 1 8 8 VAL CA C 8 60.842 60.842 60.600 0.242 25067 3110 1 6 . 1 1 8 8 VAL CB C 8 34.184 34.184 35.752 -1.569 25067 3111 1 6 . 1 1 8 8 VAL H H 8 8.659 8.659 8.119 0.540 25067 3112 1 6 . 1 1 9 9 GLU N N 9 127.779 127.779 129.592 -1.813 25067 3113 1 6 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.726 0.164 25067 3114 1 6 . 1 1 9 9 GLU C C 9 175.446 175.446 175.272 0.174 25067 3115 1 6 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.918 0.565 25067 3116 1 6 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.522 0.228 25067 3117 1 6 . 1 1 9 9 GLU H H 9 8.513 8.513 8.217 0.296 25067 3118 1 6 . 1 1 10 10 ILE N N 10 127.770 127.770 126.873 0.897 25067 3119 1 6 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.442 0.458 25067 3120 1 6 . 1 1 10 10 ILE C C 10 174.981 174.981 175.285 -0.304 25067 3121 1 6 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.757 -1.333 25067 3122 1 6 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.145 1.500 25067 3123 1 6 . 1 1 10 10 ILE H H 10 9.199 9.199 8.722 0.477 25067 3124 1 6 . 1 1 11 11 LYS N N 11 125.866 125.866 129.010 -3.144 25067 3125 1 6 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.284 0.154 25067 3126 1 6 . 1 1 11 11 LYS C C 11 175.835 175.835 175.302 0.533 25067 3127 1 6 . 1 1 11 11 LYS CA C 11 54.817 54.817 53.559 1.258 25067 3128 1 6 . 1 1 11 11 LYS CB C 11 35.060 35.060 36.244 -1.184 25067 3129 1 6 . 1 1 11 11 LYS H H 11 9.257 9.257 9.134 0.123 25067 3130 1 6 . 1 1 12 12 ILE N N 12 121.799 121.799 125.866 -4.067 25067 3131 1 6 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.351 0.948 25067 3132 1 6 . 1 1 12 12 ILE C C 12 175.132 175.132 174.759 0.373 25067 3133 1 6 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.827 0.307 25067 3134 1 6 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.155 2.511 25067 3135 1 6 . 1 1 12 12 ILE H H 12 9.075 9.075 8.428 0.647 25067 3136 1 6 . 1 1 13 13 ASP N N 13 129.263 129.263 128.712 0.551 25067 3137 1 6 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.794 0.415 25067 3138 1 6 . 1 1 13 13 ASP C C 13 175.898 175.898 174.950 0.948 25067 3139 1 6 . 1 1 13 13 ASP CA C 13 52.731 52.731 54.406 -1.675 25067 3140 1 6 . 1 1 13 13 ASP CB C 13 43.750 43.750 40.806 2.944 25067 3141 1 6 . 1 1 13 13 ASP H H 13 9.415 9.415 8.324 1.091 25067 3142 1 6 . 1 1 14 14 CYS N N 14 122.767 122.767 123.463 -0.696 25067 3143 1 6 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.578 0.354 25067 3144 1 6 . 1 1 14 14 CYS C C 14 174.228 174.228 175.099 -0.871 25067 3145 1 6 . 1 1 14 14 CYS CA C 14 58.269 58.269 59.119 -0.850 25067 3146 1 6 . 1 1 14 14 CYS CB C 14 28.447 28.447 29.546 -1.099 25067 3147 1 6 . 1 1 14 14 CYS H H 14 9.274 9.274 8.154 1.120 25067 3148 1 6 . 1 1 15 15 GLY N N 15 110.606 110.606 111.681 -1.075 25067 3149 1 6 . 1 1 15 15 GLY C C 15 173.986 173.986 173.732 0.254 25067 3150 1 6 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.608 0.284 25067 3151 1 6 . 1 1 15 15 GLY H H 15 8.919 8.919 8.427 0.492 25067 3152 1 6 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.565 0.231 25067 3153 1 6 . 1 1 16 16 ASN C C 16 175.157 175.157 176.570 -1.413 25067 3154 1 6 . 1 1 16 16 ASN CA C 16 53.181 53.181 54.193 -1.012 25067 3155 1 6 . 1 1 16 16 ASN CB C 16 38.955 38.955 39.278 -0.323 25067 3156 1 6 . 1 1 17 17 ASP N N 17 118.767 118.767 122.447 -3.680 25067 3157 1 6 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.352 0.237 25067 3158 1 6 . 1 1 17 17 ASP C C 17 175.493 175.493 175.176 0.317 25067 3159 1 6 . 1 1 17 17 ASP CA C 17 54.533 54.533 56.145 -1.612 25067 3160 1 6 . 1 1 17 17 ASP CB C 17 40.992 40.992 40.789 0.203 25067 3161 1 6 . 1 1 17 17 ASP H H 17 8.409 8.409 8.612 -0.203 25067 3162 1 6 . 1 1 18 18 ASP N N 18 119.912 119.912 119.195 0.717 25067 3163 1 6 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.636 -0.030 25067 3164 1 6 . 1 1 18 18 ASP C C 18 175.870 175.870 174.538 1.332 25067 3165 1 6 . 1 1 18 18 ASP CA C 18 54.242 54.242 53.886 0.356 25067 3166 1 6 . 1 1 18 18 ASP CB C 18 41.116 41.116 41.717 -0.601 25067 3167 1 6 . 1 1 18 18 ASP H H 18 8.291 8.291 8.164 0.127 25067 3168 1 6 . 1 1 19 19 LYS N N 19 120.828 120.828 120.053 0.775 25067 3169 1 6 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.073 0.366 25067 3170 1 6 . 1 1 19 19 LYS C C 19 176.121 176.121 174.754 1.367 25067 3171 1 6 . 1 1 19 19 LYS CA C 19 55.646 55.646 56.630 -0.984 25067 3172 1 6 . 1 1 19 19 LYS CB C 19 33.015 33.015 32.685 0.330 25067 3173 1 6 . 1 1 19 19 LYS H H 19 8.140 8.140 8.402 -0.262 25067 3174 1 6 . 1 1 20 20 GLU N N 20 123.292 123.292 123.170 0.122 25067 3175 1 6 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.429 0.111 25067 3176 1 6 . 1 1 20 20 GLU C C 20 176.413 176.413 175.768 0.645 25067 3177 1 6 . 1 1 20 20 GLU CA C 20 56.518 56.518 55.918 0.600 25067 3178 1 6 . 1 1 20 20 GLU CB C 20 30.543 30.543 30.706 -0.163 25067 3179 1 6 . 1 1 20 20 GLU H H 20 8.645 8.645 8.501 0.144 25067 3180 1 6 . 1 1 21 21 THR N N 21 119.747 119.747 121.572 -1.825 25067 3181 1 6 . 1 1 21 21 THR HA H 21 4.517 4.517 4.585 -0.068 25067 3182 1 6 . 1 1 21 21 THR C C 21 173.148 173.148 172.990 0.158 25067 3183 1 6 . 1 1 21 21 THR CA C 21 61.989 61.989 61.621 0.368 25067 3184 1 6 . 1 1 21 21 THR CB C 21 70.485 70.485 69.961 0.524 25067 3185 1 6 . 1 1 21 21 THR H H 21 8.589 8.589 8.617 -0.028 25067 3186 1 6 . 1 1 22 22 THR N N 22 119.539 119.539 121.982 -2.443 25067 3187 1 6 . 1 1 22 22 THR HA H 22 5.342 5.342 5.233 0.109 25067 3188 1 6 . 1 1 22 22 THR C C 22 173.148 173.148 173.371 -0.223 25067 3189 1 6 . 1 1 22 22 THR CA C 22 60.977 60.977 60.953 0.024 25067 3190 1 6 . 1 1 22 22 THR CB C 22 70.490 70.490 71.312 -0.823 25067 3191 1 6 . 1 1 22 22 THR H H 22 8.191 8.191 8.397 -0.206 25067 3192 1 6 . 1 1 23 23 TYR N N 23 123.279 123.279 123.694 -0.415 25067 3193 1 6 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.686 -0.032 25067 3194 1 6 . 1 1 23 23 TYR C C 23 173.400 173.400 174.685 -1.285 25067 3195 1 6 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.067 -0.085 25067 3196 1 6 . 1 1 23 23 TYR CB C 23 42.318 42.318 41.159 1.159 25067 3197 1 6 . 1 1 23 23 TYR H H 23 9.268 9.268 8.773 0.495 25067 3198 1 6 . 1 1 24 24 ASP N N 24 121.837 121.837 125.626 -3.789 25067 3199 1 6 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.354 -0.510 25067 3200 1 6 . 1 1 24 24 ASP C C 24 173.400 173.400 175.962 -2.562 25067 3201 1 6 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.402 0.067 25067 3202 1 6 . 1 1 24 24 ASP CB C 24 41.941 41.941 40.665 1.276 25067 3203 1 6 . 1 1 24 24 ASP H H 24 8.484 8.484 8.848 -0.364 25067 3204 1 6 . 1 1 25 25 LEU N N 25 126.268 126.268 122.410 3.858 25067 3205 1 6 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.402 -0.302 25067 3206 1 6 . 1 1 25 25 LEU C C 25 174.677 174.677 176.961 -2.284 25067 3207 1 6 . 1 1 25 25 LEU CA C 25 52.733 52.733 55.609 -2.876 25067 3208 1 6 . 1 1 25 25 LEU CB C 25 42.626 42.626 43.017 -0.391 25067 3209 1 6 . 1 1 25 25 LEU H H 25 8.619 8.619 8.385 0.234 25067 3210 1 6 . 1 1 26 26 TYR N N 26 123.695 123.695 114.579 9.116 25067 3211 1 6 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.608 0.027 25067 3212 1 6 . 1 1 26 26 TYR C C 26 176.833 176.833 175.717 1.116 25067 3213 1 6 . 1 1 26 26 TYR CA C 26 56.282 56.282 58.382 -2.100 25067 3214 1 6 . 1 1 26 26 TYR CB C 26 38.143 38.143 35.913 2.229 25067 3215 1 6 . 1 1 26 26 TYR H H 26 8.465 8.465 7.840 0.625 25067 3216 1 6 . 1 1 27 27 PHE N N 27 119.951 119.951 122.737 -2.786 25067 3217 1 6 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.365 0.421 25067 3218 1 6 . 1 1 27 27 PHE C C 27 176.205 176.205 176.867 -0.662 25067 3219 1 6 . 1 1 27 27 PHE CA C 27 60.136 60.136 57.673 2.463 25067 3220 1 6 . 1 1 27 27 PHE CB C 27 38.455 38.455 38.807 -0.352 25067 3221 1 6 . 1 1 27 27 PHE H H 27 7.991 7.991 8.268 -0.277 25067 3222 1 6 . 1 1 28 28 SER N N 28 114.987 114.987 123.082 -8.095 25067 3223 1 6 . 1 1 28 28 SER HA H 28 4.455 4.455 4.680 -0.225 25067 3224 1 6 . 1 1 28 28 SER C C 28 174.517 174.517 173.875 0.642 25067 3225 1 6 . 1 1 28 28 SER CA C 28 59.489 59.489 57.433 2.056 25067 3226 1 6 . 1 1 28 28 SER CB C 28 62.828 62.828 61.762 1.066 25067 3227 1 6 . 1 1 28 28 SER H H 28 8.508 8.508 8.782 -0.274 25067 3228 1 6 . 1 1 29 29 LYS N N 29 123.721 123.721 118.725 4.996 25067 3229 1 6 . 1 1 29 29 LYS HA H 29 4.653 4.653 3.902 0.751 25067 3230 1 6 . 1 1 29 29 LYS C C 29 175.954 175.954 177.206 -1.252 25067 3231 1 6 . 1 1 29 29 LYS CA C 29 54.695 54.695 57.172 -2.477 25067 3232 1 6 . 1 1 29 29 LYS CB C 29 31.548 31.548 31.941 -0.393 25067 3233 1 6 . 1 1 29 29 LYS H H 29 7.723 7.723 7.461 0.262 25067 3234 1 6 . 1 1 30 30 ALA HA H 30 4.072 4.072 3.958 0.114 25067 3235 1 6 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.178 0.369 25067 3236 1 6 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.762 0.009 25067 3237 1 6 . 1 1 31 31 GLU N N 31 117.703 117.703 118.078 -0.375 25067 3238 1 6 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.051 0.127 25067 3239 1 6 . 1 1 31 31 GLU C C 31 179.251 179.251 178.275 0.976 25067 3240 1 6 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.099 0.497 25067 3241 1 6 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.070 -0.471 25067 3242 1 6 . 1 1 31 31 GLU H H 31 9.034 9.034 8.786 0.248 25067 3243 1 6 . 1 1 32 32 GLU N N 32 121.084 121.084 117.775 3.309 25067 3244 1 6 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.234 -0.049 25067 3245 1 6 . 1 1 32 32 GLU C C 32 179.251 179.251 178.561 0.690 25067 3246 1 6 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.019 1.198 25067 3247 1 6 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.625 -0.294 25067 3248 1 6 . 1 1 32 32 GLU H H 32 8.046 8.046 7.891 0.155 25067 3249 1 6 . 1 1 33 33 ALA N N 33 122.906 122.906 123.351 -0.445 25067 3250 1 6 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.547 0.543 25067 3251 1 6 . 1 1 33 33 ALA C C 33 180.244 180.244 178.993 1.251 25067 3252 1 6 . 1 1 33 33 ALA CA C 33 55.519 55.519 54.810 0.709 25067 3253 1 6 . 1 1 33 33 ALA CB C 33 17.968 17.968 17.767 0.201 25067 3254 1 6 . 1 1 33 33 ALA H H 33 8.383 8.383 8.106 0.277 25067 3255 1 6 . 1 1 34 34 LYS N N 34 119.560 119.560 117.724 1.836 25067 3256 1 6 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.130 0.060 25067 3257 1 6 . 1 1 34 34 LYS C C 34 179.198 179.198 178.708 0.490 25067 3258 1 6 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.176 0.305 25067 3259 1 6 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.024 0.428 25067 3260 1 6 . 1 1 34 34 LYS H H 34 7.885 7.885 8.040 -0.155 25067 3261 1 6 . 1 1 35 35 GLU N N 35 121.053 121.053 120.586 0.467 25067 3262 1 6 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.184 -0.003 25067 3263 1 6 . 1 1 35 35 GLU C C 35 179.288 179.288 178.627 0.661 25067 3264 1 6 . 1 1 35 35 GLU CA C 35 59.391 59.391 58.390 1.001 25067 3265 1 6 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.306 0.038 25067 3266 1 6 . 1 1 35 35 GLU H H 35 8.042 8.042 7.687 0.355 25067 3267 1 6 . 1 1 36 36 LEU N N 36 121.053 121.053 120.517 0.536 25067 3268 1 6 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.150 0.087 25067 3269 1 6 . 1 1 36 36 LEU C C 36 177.982 177.982 179.267 -1.285 25067 3270 1 6 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.273 0.464 25067 3271 1 6 . 1 1 36 36 LEU CB C 36 41.941 41.941 40.784 1.157 25067 3272 1 6 . 1 1 36 36 LEU H H 36 8.434 8.434 7.362 1.072 25067 3273 1 6 . 1 1 37 37 LEU N N 37 120.035 120.035 121.041 -1.006 25067 3274 1 6 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.865 -0.249 25067 3275 1 6 . 1 1 37 37 LEU C C 37 178.070 178.070 178.208 -0.138 25067 3276 1 6 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.840 0.709 25067 3277 1 6 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.660 0.488 25067 3278 1 6 . 1 1 37 37 LEU H H 37 7.883 7.883 8.517 -0.634 25067 3279 1 6 . 1 1 38 38 LYS N N 38 116.604 116.604 118.770 -2.166 25067 3280 1 6 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.866 -0.070 25067 3281 1 6 . 1 1 38 38 LYS C C 38 178.246 178.246 178.909 -0.663 25067 3282 1 6 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.604 -0.089 25067 3283 1 6 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.210 0.385 25067 3284 1 6 . 1 1 38 38 LYS H H 38 7.102 7.102 7.461 -0.359 25067 3285 1 6 . 1 1 39 39 LYS N N 39 118.823 118.823 119.180 -0.357 25067 3286 1 6 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.071 0.084 25067 3287 1 6 . 1 1 39 39 LYS C C 39 179.464 179.464 179.178 0.286 25067 3288 1 6 . 1 1 39 39 LYS CA C 39 59.126 59.126 58.883 0.243 25067 3289 1 6 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.102 0.592 25067 3290 1 6 . 1 1 39 39 LYS H H 39 7.752 7.752 7.512 0.240 25067 3291 1 6 . 1 1 40 40 VAL N N 40 119.336 119.336 119.575 -0.239 25067 3292 1 6 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.488 -0.135 25067 3293 1 6 . 1 1 40 40 VAL C C 40 178.612 178.612 177.606 1.006 25067 3294 1 6 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.321 0.015 25067 3295 1 6 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.509 -0.357 25067 3296 1 6 . 1 1 40 40 VAL H H 40 8.925 8.925 8.132 0.793 25067 3297 1 6 . 1 1 41 41 ALA N N 41 120.709 120.709 122.194 -1.485 25067 3298 1 6 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.885 0.010 25067 3299 1 6 . 1 1 41 41 ALA C C 41 179.163 179.163 179.440 -0.277 25067 3300 1 6 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.642 -0.617 25067 3301 1 6 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.230 0.465 25067 3302 1 6 . 1 1 41 41 ALA H H 41 8.001 8.001 7.827 0.174 25067 3303 1 6 . 1 1 42 42 GLU N N 42 117.330 117.330 117.357 -0.027 25067 3304 1 6 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.012 -0.076 25067 3305 1 6 . 1 1 42 42 GLU C C 42 179.452 179.452 178.913 0.539 25067 3306 1 6 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.091 0.520 25067 3307 1 6 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.377 0.362 25067 3308 1 6 . 1 1 42 42 GLU H H 42 8.197 8.197 7.801 0.396 25067 3309 1 6 . 1 1 43 43 LYS N N 43 119.586 119.586 118.719 0.867 25067 3310 1 6 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.483 -0.285 25067 3311 1 6 . 1 1 43 43 LYS C C 43 179.595 179.595 178.935 0.660 25067 3312 1 6 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.475 1.294 25067 3313 1 6 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.770 0.300 25067 3314 1 6 . 1 1 43 43 LYS H H 43 8.119 8.119 8.058 0.061 25067 3315 1 6 . 1 1 44 44 ALA N N 44 121.948 121.948 121.452 0.496 25067 3316 1 6 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.251 0.015 25067 3317 1 6 . 1 1 44 44 ALA C C 44 178.937 178.937 179.347 -0.410 25067 3318 1 6 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.877 0.113 25067 3319 1 6 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.149 -0.348 25067 3320 1 6 . 1 1 44 44 ALA H H 44 8.396 8.396 8.023 0.373 25067 3321 1 6 . 1 1 45 45 ALA N N 45 118.814 118.814 121.131 -2.317 25067 3322 1 6 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.878 0.079 25067 3323 1 6 . 1 1 45 45 ALA C C 45 178.887 178.887 179.148 -0.261 25067 3324 1 6 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.938 0.631 25067 3325 1 6 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.182 -0.155 25067 3326 1 6 . 1 1 45 45 ALA H H 45 8.519 8.519 7.570 0.949 25067 3327 1 6 . 1 1 46 46 ASP N N 46 116.930 116.930 118.545 -1.615 25067 3328 1 6 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.314 0.085 25067 3329 1 6 . 1 1 46 46 ASP C C 46 178.020 178.020 178.772 -0.752 25067 3330 1 6 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.425 0.215 25067 3331 1 6 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.256 1.580 25067 3332 1 6 . 1 1 46 46 ASP H H 46 7.852 7.852 8.114 -0.262 25067 3333 1 6 . 1 1 47 47 LYS N N 47 119.467 119.467 118.623 0.844 25067 3334 1 6 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.157 -0.064 25067 3335 1 6 . 1 1 47 47 LYS C C 47 178.924 178.924 178.917 0.007 25067 3336 1 6 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.685 0.987 25067 3337 1 6 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.147 0.364 25067 3338 1 6 . 1 1 47 47 LYS H H 47 7.692 7.692 7.515 0.177 25067 3339 1 6 . 1 1 48 48 ILE N N 48 119.929 119.929 119.081 0.848 25067 3340 1 6 . 1 1 48 48 ILE HA H 48 3.740 3.740 4.040 -0.300 25067 3341 1 6 . 1 1 48 48 ILE C C 48 179.025 179.025 177.894 1.131 25067 3342 1 6 . 1 1 48 48 ILE CA C 48 64.978 64.978 62.826 2.152 25067 3343 1 6 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.079 1.213 25067 3344 1 6 . 1 1 48 48 ILE H H 48 8.585 8.585 7.471 1.114 25067 3345 1 6 . 1 1 49 49 LYS N N 49 119.534 119.534 119.480 0.054 25067 3346 1 6 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.025 -0.008 25067 3347 1 6 . 1 1 49 49 LYS C C 49 179.025 179.025 178.206 0.819 25067 3348 1 6 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.732 0.915 25067 3349 1 6 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.705 -0.104 25067 3350 1 6 . 1 1 49 49 LYS H H 49 8.353 8.353 7.835 0.518 25067 3351 1 6 . 1 1 50 50 LYS N N 50 117.423 117.423 115.751 1.672 25067 3352 1 6 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.239 -0.023 25067 3353 1 6 . 1 1 50 50 LYS C C 50 178.510 178.510 176.953 1.557 25067 3354 1 6 . 1 1 50 50 LYS CA C 50 58.497 58.497 57.338 1.159 25067 3355 1 6 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.389 -0.067 25067 3356 1 6 . 1 1 50 50 LYS H H 50 7.996 7.996 7.616 0.380 25067 3357 1 6 . 1 1 51 51 GLN N N 51 115.137 115.137 118.956 -3.819 25067 3358 1 6 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.391 0.090 25067 3359 1 6 . 1 1 51 51 GLN C C 51 177.292 177.292 174.217 3.075 25067 3360 1 6 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.907 0.100 25067 3361 1 6 . 1 1 51 51 GLN CB C 51 29.940 29.940 30.885 -0.945 25067 3362 1 6 . 1 1 51 51 GLN H H 51 8.384 8.384 7.423 0.961 25067 3363 1 6 . 1 1 52 52 GLY N N 52 109.119 109.119 112.849 -3.730 25067 3364 1 6 . 1 1 52 52 GLY C C 52 174.391 174.391 174.653 -0.262 25067 3365 1 6 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.676 0.884 25067 3366 1 6 . 1 1 52 52 GLY H H 52 8.218 8.218 8.429 -0.211 25067 3367 1 6 . 1 1 53 53 CYS N N 53 116.935 116.935 122.866 -5.931 25067 3368 1 6 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.428 0.057 25067 3369 1 6 . 1 1 53 53 CYS C C 53 173.989 173.989 175.158 -1.169 25067 3370 1 6 . 1 1 53 53 CYS CA C 53 58.148 58.148 59.190 -1.042 25067 3371 1 6 . 1 1 53 53 CYS CB C 53 28.714 28.714 29.638 -0.924 25067 3372 1 6 . 1 1 53 53 CYS H H 53 7.623 7.623 7.813 -0.190 25067 3373 1 6 . 1 1 54 54 LYS N N 54 120.659 120.659 120.819 -0.160 25067 3374 1 6 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.632 -0.132 25067 3375 1 6 . 1 1 54 54 LYS C C 54 174.793 174.793 175.973 -1.180 25067 3376 1 6 . 1 1 54 54 LYS CA C 54 56.326 56.326 56.210 0.116 25067 3377 1 6 . 1 1 54 54 LYS CB C 54 33.710 33.710 33.243 0.467 25067 3378 1 6 . 1 1 54 54 LYS H H 54 8.765 8.765 8.562 0.203 25067 3379 1 6 . 1 1 55 55 ARG N N 55 117.927 117.927 119.730 -1.803 25067 3380 1 6 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.659 0.784 25067 3381 1 6 . 1 1 55 55 ARG C C 55 174.517 174.517 173.624 0.893 25067 3382 1 6 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.428 -0.839 25067 3383 1 6 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.659 0.957 25067 3384 1 6 . 1 1 55 55 ARG H H 55 7.603 7.603 7.892 -0.289 25067 3385 1 6 . 1 1 56 56 VAL N N 56 122.079 122.079 126.814 -4.735 25067 3386 1 6 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.418 0.407 25067 3387 1 6 . 1 1 56 56 VAL C C 56 173.311 173.311 174.743 -1.432 25067 3388 1 6 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.538 -0.253 25067 3389 1 6 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.156 0.774 25067 3390 1 6 . 1 1 56 56 VAL H H 56 8.853 8.853 8.699 0.154 25067 3391 1 6 . 1 1 57 57 LYS N N 57 125.849 125.849 127.157 -1.308 25067 3392 1 6 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.677 0.927 25067 3393 1 6 . 1 1 57 57 LYS C C 57 174.881 174.881 174.967 -0.086 25067 3394 1 6 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.237 -0.499 25067 3395 1 6 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.286 1.649 25067 3396 1 6 . 1 1 57 57 LYS H H 57 8.819 8.819 8.952 -0.133 25067 3397 1 6 . 1 1 58 58 ILE N N 58 125.213 125.213 126.372 -1.159 25067 3398 1 6 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.415 0.752 25067 3399 1 6 . 1 1 58 58 ILE C C 58 174.981 174.981 174.884 0.097 25067 3400 1 6 . 1 1 58 58 ILE CA C 58 60.596 60.596 61.038 -0.443 25067 3401 1 6 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.484 2.375 25067 3402 1 6 . 1 1 58 58 ILE H H 58 9.204 9.204 8.564 0.640 25067 3403 1 6 . 1 1 59 59 ARG N N 59 124.047 124.047 127.023 -2.976 25067 3404 1 6 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.068 1.033 25067 3405 1 6 . 1 1 59 59 ARG C C 59 175.144 175.144 174.861 0.283 25067 3406 1 6 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.585 -0.494 25067 3407 1 6 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.541 2.494 25067 3408 1 6 . 1 1 59 59 ARG H H 59 9.467 9.467 8.739 0.728 25067 3409 1 6 . 1 1 60 60 PHE N N 60 113.223 113.223 123.325 -10.102 25067 3410 1 6 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.845 0.359 25067 3411 1 6 . 1 1 60 60 PHE C C 60 173.110 173.110 172.995 0.115 25067 3412 1 6 . 1 1 60 60 PHE CA C 60 56.931 56.931 57.095 -0.164 25067 3413 1 6 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.747 -1.367 25067 3414 1 6 . 1 1 60 60 PHE H H 60 8.451 8.451 8.604 -0.153 25067 3415 1 6 . 1 1 61 61 GLU N N 61 121.333 121.333 125.955 -4.622 25067 3416 1 6 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.327 0.317 25067 3417 1 6 . 1 1 61 61 GLU C C 61 177.147 177.147 175.013 2.134 25067 3418 1 6 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.463 -0.498 25067 3419 1 6 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.397 0.301 25067 3420 1 6 . 1 1 61 61 GLU H H 61 9.572 9.572 7.559 2.013 25067 3421 1 6 . 1 1 62 62 LYS N N 62 121.311 121.311 129.726 -8.415 25067 3422 1 6 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.533 -0.190 25067 3423 1 6 . 1 1 62 62 LYS C C 62 177.398 177.398 174.369 3.029 25067 3424 1 6 . 1 1 62 62 LYS CA C 62 58.185 58.185 54.979 3.206 25067 3425 1 6 . 1 1 62 62 LYS CB C 62 32.937 32.937 32.874 0.062 25067 3426 1 6 . 1 1 62 62 LYS H H 62 8.160 8.160 8.179 -0.019 25067 3427 1 6 . 1 1 63 63 LYS N N 63 120.742 120.742 124.045 -3.303 25067 3428 1 6 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.367 -0.249 25067 3429 1 6 . 1 1 63 63 LYS C C 63 177.015 177.015 176.749 0.266 25067 3430 1 6 . 1 1 63 63 LYS CA C 63 58.693 58.693 57.069 1.625 25067 3431 1 6 . 1 1 63 63 LYS CB C 63 31.677 31.677 33.225 -1.548 25067 3432 1 6 . 1 1 63 63 LYS H H 63 8.028 8.028 8.322 -0.294 25067 3433 1 6 . 1 1 64 64 GLY C C 64 174.039 174.039 174.756 -0.717 25067 3434 1 6 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.040 -0.177 25067 3435 1 6 . 1 1 65 65 LEU N N 65 119.849 119.849 120.699 -0.850 25067 3436 1 6 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.351 0.273 25067 3437 1 6 . 1 1 65 65 LEU C C 65 177.493 177.493 176.987 0.506 25067 3438 1 6 . 1 1 65 65 LEU CA C 65 54.128 54.128 54.371 -0.243 25067 3439 1 6 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.575 1.111 25067 3440 1 6 . 1 1 65 65 LEU H H 65 7.836 7.836 7.407 0.429 25067 3441 1 6 . 1 1 66 66 ASP N N 66 123.296 123.296 120.749 2.547 25067 3442 1 6 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.624 0.048 25067 3443 1 6 . 1 1 66 66 ASP C C 66 175.471 175.471 176.712 -1.241 25067 3444 1 6 . 1 1 66 66 ASP CA C 66 52.820 52.820 53.804 -0.984 25067 3445 1 6 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.929 -1.912 25067 3446 1 6 . 1 1 66 66 ASP H H 66 8.226 8.226 8.059 0.167 25067 3447 1 6 . 1 1 67 67 ASP N N 67 118.859 118.859 124.177 -5.318 25067 3448 1 6 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.304 -0.061 25067 3449 1 6 . 1 1 67 67 ASP C C 67 178.121 178.121 177.782 0.339 25067 3450 1 6 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.069 1.404 25067 3451 1 6 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.118 -0.051 25067 3452 1 6 . 1 1 67 67 ASP H H 67 8.529 8.529 8.746 -0.217 25067 3453 1 6 . 1 1 68 68 ASP N N 68 119.187 119.187 119.581 -0.394 25067 3454 1 6 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.391 -0.051 25067 3455 1 6 . 1 1 68 68 ASP C C 68 177.807 177.807 177.859 -0.052 25067 3456 1 6 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.303 0.178 25067 3457 1 6 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.964 0.495 25067 3458 1 6 . 1 1 68 68 ASP H H 68 8.244 8.244 8.035 0.209 25067 3459 1 6 . 1 1 69 69 ALA N N 69 122.537 122.537 121.734 0.803 25067 3460 1 6 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.048 -0.420 25067 3461 1 6 . 1 1 69 69 ALA C C 69 179.452 179.452 179.756 -0.304 25067 3462 1 6 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.844 0.171 25067 3463 1 6 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.337 0.826 25067 3464 1 6 . 1 1 69 69 ALA H H 69 8.191 8.191 7.731 0.460 25067 3465 1 6 . 1 1 70 70 ARG N N 70 115.799 115.799 119.072 -3.273 25067 3466 1 6 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.985 -0.262 25067 3467 1 6 . 1 1 70 70 ARG C C 70 178.183 178.183 177.901 0.282 25067 3468 1 6 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.121 1.227 25067 3469 1 6 . 1 1 70 70 ARG CB C 70 30.612 30.612 29.824 0.788 25067 3470 1 6 . 1 1 70 70 ARG H H 70 8.419 8.419 8.454 -0.035 25067 3471 1 6 . 1 1 71 71 LYS N N 71 118.170 118.170 119.362 -1.192 25067 3472 1 6 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.992 -0.155 25067 3473 1 6 . 1 1 71 71 LYS C C 71 179.891 179.891 179.135 0.756 25067 3474 1 6 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.536 0.114 25067 3475 1 6 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.209 0.210 25067 3476 1 6 . 1 1 71 71 LYS H H 71 7.781 7.781 7.720 0.061 25067 3477 1 6 . 1 1 72 72 LYS N N 72 119.730 119.730 118.328 1.402 25067 3478 1 6 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.125 -0.389 25067 3479 1 6 . 1 1 72 72 LYS C C 72 178.874 178.874 178.960 -0.086 25067 3480 1 6 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.483 1.090 25067 3481 1 6 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.836 0.557 25067 3482 1 6 . 1 1 72 72 LYS H H 72 7.835 7.835 8.087 -0.252 25067 3483 1 6 . 1 1 73 73 ALA N N 73 123.068 123.068 122.215 0.853 25067 3484 1 6 . 1 1 73 73 ALA HA H 73 3.755 3.755 4.143 -0.388 25067 3485 1 6 . 1 1 73 73 ALA C C 73 178.246 178.246 179.443 -1.197 25067 3486 1 6 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.939 0.411 25067 3487 1 6 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.738 -0.092 25067 3488 1 6 . 1 1 73 73 ALA H H 73 8.343 8.343 7.886 0.457 25067 3489 1 6 . 1 1 74 74 LYS N N 74 117.936 117.936 118.791 -0.855 25067 3490 1 6 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.829 -0.185 25067 3491 1 6 . 1 1 74 74 LYS C C 74 177.694 177.694 178.401 -0.707 25067 3492 1 6 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.497 0.824 25067 3493 1 6 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.129 0.546 25067 3494 1 6 . 1 1 74 74 LYS H H 74 7.934 7.934 7.925 0.009 25067 3495 1 6 . 1 1 75 75 LYS N N 75 116.863 116.863 119.718 -2.855 25067 3496 1 6 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.030 -0.051 25067 3497 1 6 . 1 1 75 75 LYS C C 75 178.884 178.884 178.731 0.153 25067 3498 1 6 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.201 0.208 25067 3499 1 6 . 1 1 75 75 LYS CB C 75 32.497 32.497 31.953 0.544 25067 3500 1 6 . 1 1 75 75 LYS H H 75 7.371 7.371 7.905 -0.534 25067 3501 1 6 . 1 1 76 76 TRP N N 76 121.108 121.108 120.726 0.382 25067 3502 1 6 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.279 -0.082 25067 3503 1 6 . 1 1 76 76 TRP C C 76 177.618 177.618 177.810 -0.192 25067 3504 1 6 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.786 -0.060 25067 3505 1 6 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.340 0.653 25067 3506 1 6 . 1 1 76 76 TRP H H 76 8.156 8.156 7.990 0.166 25067 3507 1 6 . 1 1 77 77 ALA N N 77 120.099 120.099 120.695 -0.596 25067 3508 1 6 . 1 1 77 77 ALA HA H 77 4.099 4.099 4.116 -0.017 25067 3509 1 6 . 1 1 77 77 ALA C C 77 179.125 179.125 179.837 -0.712 25067 3510 1 6 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.105 0.543 25067 3511 1 6 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.810 -0.491 25067 3512 1 6 . 1 1 77 77 ALA H H 77 8.883 8.883 8.127 0.756 25067 3513 1 6 . 1 1 78 78 LEU N N 78 116.584 116.584 118.630 -2.046 25067 3514 1 6 . 1 1 78 78 LEU HA H 78 4.131 4.131 4.024 0.107 25067 3515 1 6 . 1 1 78 78 LEU C C 78 179.828 179.828 179.158 0.670 25067 3516 1 6 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.597 0.246 25067 3517 1 6 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.907 -0.208 25067 3518 1 6 . 1 1 78 78 LEU H H 78 8.238 8.238 8.274 -0.036 25067 3519 1 6 . 1 1 79 79 GLU N N 79 121.435 121.435 119.501 1.934 25067 3520 1 6 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.958 0.145 25067 3521 1 6 . 1 1 79 79 GLU C C 79 180.004 180.004 179.301 0.703 25067 3522 1 6 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.387 -0.017 25067 3523 1 6 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.654 -0.532 25067 3524 1 6 . 1 1 79 79 GLU H H 79 8.296 8.296 7.793 0.503 25067 3525 1 6 . 1 1 80 80 VAL N N 80 122.863 122.863 118.969 3.894 25067 3526 1 6 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.528 -0.173 25067 3527 1 6 . 1 1 80 80 VAL C C 80 177.044 177.044 176.569 0.475 25067 3528 1 6 . 1 1 80 80 VAL CA C 80 66.469 66.469 65.047 1.421 25067 3529 1 6 . 1 1 80 80 VAL CB C 80 30.698 30.698 31.114 -0.416 25067 3530 1 6 . 1 1 80 80 VAL H H 80 8.603 8.603 8.238 0.365 25067 3531 1 6 . 1 1 81 81 ALA N N 81 122.490 122.490 122.276 0.214 25067 3532 1 6 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.921 -0.188 25067 3533 1 6 . 1 1 81 81 ALA C C 81 178.529 178.529 179.322 -0.793 25067 3534 1 6 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.254 0.391 25067 3535 1 6 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.342 0.073 25067 3536 1 6 . 1 1 81 81 ALA H H 81 7.684 7.684 7.526 0.158 25067 3537 1 6 . 1 1 82 82 ASN N N 82 114.569 114.569 115.087 -0.518 25067 3538 1 6 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.439 -0.061 25067 3539 1 6 . 1 1 82 82 ASN C C 82 177.505 177.505 177.509 -0.004 25067 3540 1 6 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.227 0.975 25067 3541 1 6 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.445 0.389 25067 3542 1 6 . 1 1 82 82 ASN H H 82 7.752 7.752 7.968 -0.216 25067 3543 1 6 . 1 1 83 83 LYS N N 83 121.384 121.384 121.977 -0.593 25067 3544 1 6 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.030 0.064 25067 3545 1 6 . 1 1 83 83 LYS C C 83 179.037 179.037 178.366 0.671 25067 3546 1 6 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.475 0.600 25067 3547 1 6 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.794 0.354 25067 3548 1 6 . 1 1 83 83 LYS H H 83 8.343 8.343 7.583 0.760 25067 3549 1 6 . 1 1 84 84 ILE N N 84 120.298 120.298 119.176 1.122 25067 3550 1 6 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.664 -0.179 25067 3551 1 6 . 1 1 84 84 ILE C C 84 177.063 177.063 177.546 -0.483 25067 3552 1 6 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.106 1.082 25067 3553 1 6 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.761 0.627 25067 3554 1 6 . 1 1 84 84 ILE H H 84 8.496 8.496 8.138 0.358 25067 3555 1 6 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.920 -0.104 25067 3556 1 6 . 1 1 85 85 ALA C C 85 179.891 179.891 179.209 0.682 25067 3557 1 6 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.330 0.462 25067 3558 1 6 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.096 -0.048 25067 3559 1 6 . 1 1 85 85 ALA H H 85 7.768 7.768 7.857 -0.089 25067 3560 1 6 . 1 1 86 86 ASN N N 86 116.155 116.155 115.911 0.244 25067 3561 1 6 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.477 0.058 25067 3562 1 6 . 1 1 86 86 ASN C C 86 178.423 178.423 177.200 1.223 25067 3563 1 6 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.861 0.245 25067 3564 1 6 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.617 0.167 25067 3565 1 6 . 1 1 86 86 ASN H H 86 8.355 8.355 7.834 0.521 25067 3566 1 6 . 1 1 87 87 GLU N N 87 120.806 120.806 119.810 0.996 25067 3567 1 6 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.080 0.096 25067 3568 1 6 . 1 1 87 87 GLU C C 87 178.381 178.381 178.418 -0.037 25067 3569 1 6 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.508 0.401 25067 3570 1 6 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.472 0.180 25067 3571 1 6 . 1 1 87 87 GLU H H 87 8.431 8.431 7.985 0.446 25067 3572 1 6 . 1 1 88 88 LEU N N 88 115.825 115.825 116.020 -0.195 25067 3573 1 6 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.506 -0.150 25067 3574 1 6 . 1 1 88 88 LEU C C 88 177.442 177.442 177.346 0.096 25067 3575 1 6 . 1 1 88 88 LEU CA C 88 54.577 54.577 54.396 0.181 25067 3576 1 6 . 1 1 88 88 LEU CB C 88 43.500 43.500 41.823 1.677 25067 3577 1 6 . 1 1 88 88 LEU H H 88 7.547 7.547 7.763 -0.216 25067 3578 1 6 . 1 1 89 89 GLY N N 89 109.579 109.579 106.914 2.665 25067 3579 1 6 . 1 1 89 89 GLY C C 89 174.321 174.321 173.962 0.359 25067 3580 1 6 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.376 1.132 25067 3581 1 6 . 1 1 89 89 GLY H H 89 7.934 7.934 7.394 0.540 25067 3582 1 6 . 1 1 90 90 ALA N N 90 120.990 120.990 121.347 -0.357 25067 3583 1 6 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.663 -0.014 25067 3584 1 6 . 1 1 90 90 ALA C C 90 177.053 177.053 176.189 0.864 25067 3585 1 6 . 1 1 90 90 ALA CA C 90 51.074 51.074 50.843 0.231 25067 3586 1 6 . 1 1 90 90 ALA CB C 90 21.819 21.819 21.323 0.496 25067 3587 1 6 . 1 1 90 90 ALA H H 90 8.017 8.017 7.964 0.053 25067 3588 1 6 . 1 1 91 91 LYS N N 91 120.615 120.615 119.305 1.310 25067 3589 1 6 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.357 0.059 25067 3590 1 6 . 1 1 91 91 LYS C C 91 175.765 175.765 176.330 -0.565 25067 3591 1 6 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.867 0.312 25067 3592 1 6 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.054 -0.312 25067 3593 1 6 . 1 1 91 91 LYS H H 91 8.366 8.366 8.468 -0.102 25067 3594 1 6 . 1 1 92 92 GLN N N 92 119.273 119.273 118.081 1.192 25067 3595 1 6 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.304 0.857 25067 3596 1 6 . 1 1 92 92 GLN C C 92 175.136 175.136 176.090 -0.954 25067 3597 1 6 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.760 -1.650 25067 3598 1 6 . 1 1 92 92 GLN CB C 92 30.681 30.681 29.492 1.189 25067 3599 1 6 . 1 1 92 92 GLN H H 92 8.495 8.495 8.390 0.105 25067 3600 1 6 . 1 1 93 93 SER N N 93 117.003 117.003 113.818 3.185 25067 3601 1 6 . 1 1 93 93 SER HA H 93 4.781 4.781 4.919 -0.138 25067 3602 1 6 . 1 1 93 93 SER C C 93 173.735 173.735 174.125 -0.390 25067 3603 1 6 . 1 1 93 93 SER CA C 93 57.819 57.819 57.109 0.710 25067 3604 1 6 . 1 1 93 93 SER CB C 93 64.648 64.648 64.878 -0.230 25067 3605 1 6 . 1 1 93 93 SER H H 93 8.441 8.441 8.245 0.196 25067 3606 1 6 . 1 1 94 94 THR HA H 94 4.781 4.781 4.475 0.306 25067 3607 1 6 . 1 1 94 94 THR CA C 94 61.111 61.111 61.513 -0.402 25067 3608 1 6 . 1 1 94 94 THR CB C 94 71.032 71.032 69.484 1.548 25067 3609 1 6 . 1 1 95 95 THR N N 95 119.923 119.923 123.016 -3.093 25067 3610 1 6 . 1 1 95 95 THR HA H 95 5.098 5.098 4.520 0.578 25067 3611 1 6 . 1 1 95 95 THR CA C 95 60.438 60.438 60.585 -0.147 25067 3612 1 6 . 1 1 95 95 THR CB C 95 70.780 70.780 70.418 0.362 25067 3613 1 6 . 1 1 95 95 THR H H 95 8.762 8.762 8.537 0.225 25067 3614 1 6 . 1 1 96 96 THR HA H 96 4.367 4.367 4.582 -0.215 25067 3615 1 6 . 1 1 96 96 THR CA C 96 61.740 61.740 61.507 0.234 25067 3616 1 6 . 1 1 96 96 THR CB C 96 70.992 70.992 70.692 0.300 25067 3617 1 6 . 1 1 97 97 THR N N 97 120.315 120.315 120.513 -0.198 25067 3618 1 6 . 1 1 97 97 THR HA H 97 5.363 5.363 4.844 0.519 25067 3619 1 6 . 1 1 97 97 THR CA C 97 61.379 61.379 62.441 -1.062 25067 3620 1 6 . 1 1 97 97 THR CB C 97 71.216 71.216 69.389 1.827 25067 3621 1 6 . 1 1 97 97 THR H H 97 8.999 8.999 8.476 0.523 25067 3622 1 6 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.825 0.367 25067 3623 1 6 . 1 1 98 98 ASP C C 98 175.672 175.672 175.729 -0.057 25067 3624 1 6 . 1 1 98 98 ASP CA C 98 52.593 52.593 52.556 0.037 25067 3625 1 6 . 1 1 98 98 ASP CB C 98 41.735 41.735 44.610 -2.875 25067 3626 1 6 . 1 1 99 99 GLY N N 99 111.919 111.919 108.834 3.085 25067 3627 1 6 . 1 1 99 99 GLY C C 99 174.049 174.049 174.264 -0.215 25067 3628 1 6 . 1 1 99 99 GLY CA C 99 45.026 45.026 45.555 -0.529 25067 3629 1 6 . 1 1 99 99 GLY H H 99 7.817 7.817 8.696 -0.879 25067 3630 1 6 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.884 -0.330 25067 3631 1 6 . 1 1 100 100 ASP C C 100 177.518 177.518 175.751 1.767 25067 3632 1 6 . 1 1 100 100 ASP CA C 100 57.488 57.488 55.433 2.055 25067 3633 1 6 . 1 1 100 100 ASP CB C 100 41.637 41.637 44.275 -2.638 25067 3634 1 6 . 1 1 101 101 THR N N 101 112.835 112.835 117.197 -4.362 25067 3635 1 6 . 1 1 101 101 THR HA H 101 4.613 4.613 4.882 -0.269 25067 3636 1 6 . 1 1 101 101 THR C C 101 173.003 173.003 173.062 -0.059 25067 3637 1 6 . 1 1 101 101 THR CA C 101 60.857 60.857 61.907 -1.050 25067 3638 1 6 . 1 1 101 101 THR CB C 101 70.589 70.589 70.274 0.315 25067 3639 1 6 . 1 1 101 101 THR H H 101 7.819 7.819 8.237 -0.418 25067 3640 1 6 . 1 1 102 102 PHE N N 102 126.633 126.633 128.899 -2.266 25067 3641 1 6 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.677 0.214 25067 3642 1 6 . 1 1 102 102 PHE C C 102 173.286 173.286 173.671 -0.385 25067 3643 1 6 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.856 -0.683 25067 3644 1 6 . 1 1 102 102 PHE CB C 102 40.719 40.719 40.120 0.599 25067 3645 1 6 . 1 1 102 102 PHE H H 102 8.581 8.581 8.928 -0.347 25067 3646 1 6 . 1 1 103 103 GLU N N 103 125.528 125.528 129.535 -4.007 25067 3647 1 6 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.325 -0.088 25067 3648 1 6 . 1 1 103 103 GLU C C 103 173.851 173.851 174.732 -0.881 25067 3649 1 6 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.028 0.033 25067 3650 1 6 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.544 0.775 25067 3651 1 6 . 1 1 103 103 GLU H H 103 7.986 7.986 8.136 -0.150 25067 3652 1 6 . 1 1 104 104 VAL N N 104 124.582 124.582 127.538 -2.956 25067 3653 1 6 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.472 0.172 25067 3654 1 6 . 1 1 104 104 VAL C C 104 173.763 173.763 174.953 -1.190 25067 3655 1 6 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.038 -1.075 25067 3656 1 6 . 1 1 104 104 VAL CB C 104 34.370 34.370 32.848 1.522 25067 3657 1 6 . 1 1 104 104 VAL H H 104 9.245 9.245 8.799 0.446 25067 3658 1 6 . 1 1 105 105 GLU N N 105 127.755 127.755 129.124 -1.369 25067 3659 1 6 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.961 0.291 25067 3660 1 6 . 1 1 105 105 GLU C C 105 174.572 174.572 175.471 -0.899 25067 3661 1 6 . 1 1 105 105 GLU CA C 105 54.359 54.359 55.023 -0.664 25067 3662 1 6 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.425 1.393 25067 3663 1 6 . 1 1 105 105 GLU H H 105 9.040 9.040 8.744 0.296 25067 3664 1 6 . 1 1 106 106 VAL N N 106 127.452 127.452 125.810 1.642 25067 3665 1 6 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.218 0.550 25067 3666 1 6 . 1 1 106 106 VAL C C 106 174.692 174.692 174.992 -0.300 25067 3667 1 6 . 1 1 106 106 VAL CA C 106 60.423 60.423 62.052 -1.629 25067 3668 1 6 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.870 2.272 25067 3669 1 6 . 1 1 106 106 VAL H H 106 9.315 9.315 8.794 0.521 25067 3670 1 6 . 1 1 107 107 ILE N N 107 127.006 127.006 129.198 -2.192 25067 3671 1 6 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.546 0.071 25067 3672 1 6 . 1 1 107 107 ILE C C 107 176.187 176.187 175.497 0.690 25067 3673 1 6 . 1 1 107 107 ILE CA C 107 60.406 60.406 59.095 1.311 25067 3674 1 6 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.341 2.180 25067 3675 1 6 . 1 1 107 107 ILE H H 107 8.814 8.814 7.914 0.900 25067 3676 1 6 . 1 1 108 108 LEU N N 108 128.313 128.313 129.318 -1.005 25067 3677 1 6 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.555 0.202 25067 3678 1 6 . 1 1 108 108 LEU C C 108 176.058 176.058 176.285 -0.227 25067 3679 1 6 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.917 0.207 25067 3680 1 6 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.521 1.553 25067 3681 1 6 . 1 1 108 108 LEU H H 108 8.652 8.652 8.098 0.554 25067 3682 1 6 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.484 0.048 25067 3683 1 6 . 1 1 109 109 GLU C C 109 175.408 175.408 175.336 0.072 25067 3684 1 6 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.630 -0.269 25067 3685 1 6 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.541 1.105 25067 3686 1 6 . 1 1 110 110 LEU N N 110 125.467 125.467 125.784 -0.317 25067 3687 1 6 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.568 -0.167 25067 3688 1 6 . 1 1 110 110 LEU C C 110 176.854 176.854 177.291 -0.437 25067 3689 1 6 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.150 0.820 25067 3690 1 6 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.080 0.435 25067 3691 1 6 . 1 1 110 110 LEU H H 110 8.402 8.402 7.916 0.486 25067 3692 1 6 . 1 1 111 111 GLU N N 111 121.575 121.575 125.453 -3.878 25067 3693 1 6 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.387 -0.126 25067 3694 1 6 . 1 1 111 111 GLU CA C 111 56.521 56.521 55.394 1.127 25067 3695 1 6 . 1 1 111 111 GLU CB C 111 30.291 30.291 28.002 2.289 25067 3696 1 6 . 1 1 111 111 GLU H H 111 8.607 8.607 9.151 -0.544 25067 3697 1 7 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.715 -0.595 25067 3698 1 7 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.268 -0.107 25067 3699 1 7 . 1 1 2 2 ALA CB C 2 19.392 19.392 19.476 -0.084 25067 3700 1 7 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.116 0.262 25067 3701 1 7 . 1 1 4 4 LYS C C 4 176.563 176.563 176.864 -0.301 25067 3702 1 7 . 1 1 4 4 LYS CA C 4 56.384 56.384 56.056 0.328 25067 3703 1 7 . 1 1 4 4 LYS CB C 4 33.156 33.156 33.656 -0.500 25067 3704 1 7 . 1 1 5 5 GLU N N 5 122.511 122.511 122.724 -0.213 25067 3705 1 7 . 1 1 5 5 GLU HA H 5 4.377 4.377 3.936 0.441 25067 3706 1 7 . 1 1 5 5 GLU C C 5 176.099 176.099 175.544 0.555 25067 3707 1 7 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.223 0.161 25067 3708 1 7 . 1 1 5 5 GLU CB C 5 29.803 29.803 28.614 1.189 25067 3709 1 7 . 1 1 5 5 GLU H H 5 8.601 8.601 8.588 0.013 25067 3710 1 7 . 1 1 6 6 LEU N N 6 124.063 124.063 126.880 -2.817 25067 3711 1 7 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.290 0.109 25067 3712 1 7 . 1 1 6 6 LEU C C 6 175.082 175.082 176.571 -1.489 25067 3713 1 7 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.367 0.358 25067 3714 1 7 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.333 0.880 25067 3715 1 7 . 1 1 6 6 LEU H H 6 8.409 8.409 8.054 0.355 25067 3716 1 7 . 1 1 7 7 ARG N N 7 122.244 122.244 126.321 -4.077 25067 3717 1 7 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.597 -0.152 25067 3718 1 7 . 1 1 7 7 ARG C C 7 174.768 174.768 174.990 -0.222 25067 3719 1 7 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.771 -1.081 25067 3720 1 7 . 1 1 7 7 ARG CB C 7 32.090 32.090 29.962 2.127 25067 3721 1 7 . 1 1 7 7 ARG H H 7 8.016 8.016 8.075 -0.059 25067 3722 1 7 . 1 1 8 8 VAL N N 8 123.767 123.767 119.323 4.444 25067 3723 1 7 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.482 -0.190 25067 3724 1 7 . 1 1 8 8 VAL C C 8 173.562 173.562 174.879 -1.317 25067 3725 1 7 . 1 1 8 8 VAL CA C 8 60.842 60.842 59.490 1.352 25067 3726 1 7 . 1 1 8 8 VAL CB C 8 34.184 34.184 35.419 -1.234 25067 3727 1 7 . 1 1 8 8 VAL H H 8 8.659 8.659 8.047 0.612 25067 3728 1 7 . 1 1 9 9 GLU N N 9 127.779 127.779 124.121 3.658 25067 3729 1 7 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.663 0.227 25067 3730 1 7 . 1 1 9 9 GLU C C 9 175.446 175.446 175.485 -0.039 25067 3731 1 7 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.709 0.774 25067 3732 1 7 . 1 1 9 9 GLU CB C 9 30.750 30.750 29.602 1.148 25067 3733 1 7 . 1 1 9 9 GLU H H 9 8.513 8.513 8.212 0.301 25067 3734 1 7 . 1 1 10 10 ILE N N 10 127.770 127.770 126.074 1.696 25067 3735 1 7 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.405 0.495 25067 3736 1 7 . 1 1 10 10 ILE C C 10 174.981 174.981 175.828 -0.847 25067 3737 1 7 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.243 -0.819 25067 3738 1 7 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.273 1.372 25067 3739 1 7 . 1 1 10 10 ILE H H 10 9.199 9.199 8.388 0.811 25067 3740 1 7 . 1 1 11 11 LYS N N 11 125.866 125.866 128.750 -2.884 25067 3741 1 7 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.432 0.006 25067 3742 1 7 . 1 1 11 11 LYS C C 11 175.835 175.835 175.670 0.165 25067 3743 1 7 . 1 1 11 11 LYS CA C 11 54.817 54.817 53.972 0.845 25067 3744 1 7 . 1 1 11 11 LYS CB C 11 35.060 35.060 34.132 0.928 25067 3745 1 7 . 1 1 11 11 LYS H H 11 9.257 9.257 8.606 0.651 25067 3746 1 7 . 1 1 12 12 ILE N N 12 121.799 121.799 124.909 -3.110 25067 3747 1 7 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.330 0.969 25067 3748 1 7 . 1 1 12 12 ILE C C 12 175.132 175.132 175.160 -0.028 25067 3749 1 7 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.594 0.540 25067 3750 1 7 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.581 2.086 25067 3751 1 7 . 1 1 12 12 ILE H H 12 9.075 9.075 8.061 1.014 25067 3752 1 7 . 1 1 13 13 ASP N N 13 129.263 129.263 127.279 1.984 25067 3753 1 7 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.742 0.467 25067 3754 1 7 . 1 1 13 13 ASP C C 13 175.898 175.898 175.522 0.376 25067 3755 1 7 . 1 1 13 13 ASP CA C 13 52.731 52.731 54.191 -1.460 25067 3756 1 7 . 1 1 13 13 ASP CB C 13 43.750 43.750 43.664 0.086 25067 3757 1 7 . 1 1 13 13 ASP H H 13 9.415 9.415 8.190 1.225 25067 3758 1 7 . 1 1 14 14 CYS N N 14 122.767 122.767 121.231 1.536 25067 3759 1 7 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.653 0.279 25067 3760 1 7 . 1 1 14 14 CYS C C 14 174.228 174.228 173.612 0.616 25067 3761 1 7 . 1 1 14 14 CYS CA C 14 58.269 58.269 58.447 -0.177 25067 3762 1 7 . 1 1 14 14 CYS CB C 14 28.447 28.447 30.170 -1.723 25067 3763 1 7 . 1 1 14 14 CYS H H 14 9.274 9.274 8.551 0.723 25067 3764 1 7 . 1 1 15 15 GLY N N 15 110.606 110.606 107.441 3.165 25067 3765 1 7 . 1 1 15 15 GLY C C 15 173.986 173.986 173.471 0.515 25067 3766 1 7 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.084 0.807 25067 3767 1 7 . 1 1 15 15 GLY H H 15 8.919 8.919 7.523 1.396 25067 3768 1 7 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.632 0.164 25067 3769 1 7 . 1 1 16 16 ASN C C 16 175.157 175.157 175.618 -0.461 25067 3770 1 7 . 1 1 16 16 ASN CA C 16 53.181 53.181 54.592 -1.411 25067 3771 1 7 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.586 0.369 25067 3772 1 7 . 1 1 17 17 ASP N N 17 118.767 118.767 119.580 -0.813 25067 3773 1 7 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.710 -0.121 25067 3774 1 7 . 1 1 17 17 ASP C C 17 175.493 175.493 176.168 -0.675 25067 3775 1 7 . 1 1 17 17 ASP CA C 17 54.533 54.533 54.117 0.416 25067 3776 1 7 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.195 -0.203 25067 3777 1 7 . 1 1 17 17 ASP H H 17 8.409 8.409 8.468 -0.059 25067 3778 1 7 . 1 1 18 18 ASP N N 18 119.912 119.912 119.836 0.076 25067 3779 1 7 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.737 -0.131 25067 3780 1 7 . 1 1 18 18 ASP C C 18 175.870 175.870 175.575 0.295 25067 3781 1 7 . 1 1 18 18 ASP CA C 18 54.242 54.242 54.989 -0.747 25067 3782 1 7 . 1 1 18 18 ASP CB C 18 41.116 41.116 42.190 -1.074 25067 3783 1 7 . 1 1 18 18 ASP H H 18 8.291 8.291 7.813 0.478 25067 3784 1 7 . 1 1 19 19 LYS N N 19 120.828 120.828 119.283 1.545 25067 3785 1 7 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.641 -0.202 25067 3786 1 7 . 1 1 19 19 LYS C C 19 176.121 176.121 176.544 -0.423 25067 3787 1 7 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.165 0.481 25067 3788 1 7 . 1 1 19 19 LYS CB C 19 33.015 33.015 33.648 -0.633 25067 3789 1 7 . 1 1 19 19 LYS H H 19 8.140 8.140 8.464 -0.324 25067 3790 1 7 . 1 1 20 20 GLU N N 20 123.292 123.292 120.619 2.673 25067 3791 1 7 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.238 0.302 25067 3792 1 7 . 1 1 20 20 GLU C C 20 176.413 176.413 176.082 0.331 25067 3793 1 7 . 1 1 20 20 GLU CA C 20 56.518 56.518 57.322 -0.804 25067 3794 1 7 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.340 1.203 25067 3795 1 7 . 1 1 20 20 GLU H H 20 8.645 8.645 8.517 0.128 25067 3796 1 7 . 1 1 21 21 THR N N 21 119.747 119.747 122.439 -2.692 25067 3797 1 7 . 1 1 21 21 THR HA H 21 4.517 4.517 4.525 -0.008 25067 3798 1 7 . 1 1 21 21 THR C C 21 173.148 173.148 173.203 -0.055 25067 3799 1 7 . 1 1 21 21 THR CA C 21 61.989 61.989 61.214 0.775 25067 3800 1 7 . 1 1 21 21 THR CB C 21 70.485 70.485 69.728 0.756 25067 3801 1 7 . 1 1 21 21 THR H H 21 8.589 8.589 8.333 0.256 25067 3802 1 7 . 1 1 22 22 THR N N 22 119.539 119.539 117.892 1.647 25067 3803 1 7 . 1 1 22 22 THR HA H 22 5.342 5.342 5.398 -0.056 25067 3804 1 7 . 1 1 22 22 THR C C 22 173.148 173.148 173.522 -0.374 25067 3805 1 7 . 1 1 22 22 THR CA C 22 60.977 60.977 59.776 1.201 25067 3806 1 7 . 1 1 22 22 THR CB C 22 70.490 70.490 70.754 -0.264 25067 3807 1 7 . 1 1 22 22 THR H H 22 8.191 8.191 8.367 -0.176 25067 3808 1 7 . 1 1 23 23 TYR N N 23 123.279 123.279 122.657 0.622 25067 3809 1 7 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.597 0.057 25067 3810 1 7 . 1 1 23 23 TYR C C 23 173.400 173.400 174.829 -1.429 25067 3811 1 7 . 1 1 23 23 TYR CA C 23 56.982 56.982 56.842 0.140 25067 3812 1 7 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.363 1.955 25067 3813 1 7 . 1 1 23 23 TYR H H 23 9.268 9.268 8.600 0.668 25067 3814 1 7 . 1 1 24 24 ASP N N 24 121.837 121.837 123.767 -1.930 25067 3815 1 7 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.137 -0.293 25067 3816 1 7 . 1 1 24 24 ASP C C 24 173.400 173.400 174.825 -1.425 25067 3817 1 7 . 1 1 24 24 ASP CA C 24 53.469 53.469 52.620 0.850 25067 3818 1 7 . 1 1 24 24 ASP CB C 24 41.941 41.941 40.559 1.382 25067 3819 1 7 . 1 1 24 24 ASP H H 24 8.484 8.484 8.603 -0.119 25067 3820 1 7 . 1 1 25 25 LEU N N 25 126.268 126.268 118.154 8.114 25067 3821 1 7 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.272 -0.172 25067 3822 1 7 . 1 1 25 25 LEU C C 25 174.677 174.677 175.247 -0.570 25067 3823 1 7 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.204 -0.471 25067 3824 1 7 . 1 1 25 25 LEU CB C 25 42.626 42.626 43.689 -1.063 25067 3825 1 7 . 1 1 25 25 LEU H H 25 8.619 8.619 7.582 1.037 25067 3826 1 7 . 1 1 26 26 TYR N N 26 123.695 123.695 120.366 3.329 25067 3827 1 7 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.614 0.021 25067 3828 1 7 . 1 1 26 26 TYR C C 26 176.833 176.833 175.675 1.158 25067 3829 1 7 . 1 1 26 26 TYR CA C 26 56.282 56.282 57.710 -1.428 25067 3830 1 7 . 1 1 26 26 TYR CB C 26 38.143 38.143 39.200 -1.058 25067 3831 1 7 . 1 1 26 26 TYR H H 26 8.465 8.465 7.675 0.790 25067 3832 1 7 . 1 1 27 27 PHE N N 27 119.951 119.951 120.093 -0.142 25067 3833 1 7 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.636 0.150 25067 3834 1 7 . 1 1 27 27 PHE C C 27 176.205 176.205 175.561 0.644 25067 3835 1 7 . 1 1 27 27 PHE CA C 27 60.136 60.136 57.238 2.898 25067 3836 1 7 . 1 1 27 27 PHE CB C 27 38.455 38.455 42.756 -4.301 25067 3837 1 7 . 1 1 27 27 PHE H H 27 7.991 7.991 8.197 -0.206 25067 3838 1 7 . 1 1 28 28 SER N N 28 114.987 114.987 115.117 -0.130 25067 3839 1 7 . 1 1 28 28 SER HA H 28 4.455 4.455 4.574 -0.119 25067 3840 1 7 . 1 1 28 28 SER C C 28 174.517 174.517 173.755 0.762 25067 3841 1 7 . 1 1 28 28 SER CA C 28 59.489 59.489 58.641 0.848 25067 3842 1 7 . 1 1 28 28 SER CB C 28 62.828 62.828 64.437 -1.609 25067 3843 1 7 . 1 1 28 28 SER H H 28 8.508 8.508 8.551 -0.043 25067 3844 1 7 . 1 1 29 29 LYS N N 29 123.721 123.721 120.085 3.636 25067 3845 1 7 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.809 -0.156 25067 3846 1 7 . 1 1 29 29 LYS C C 29 175.954 175.954 177.250 -1.296 25067 3847 1 7 . 1 1 29 29 LYS CA C 29 54.695 54.695 53.913 0.782 25067 3848 1 7 . 1 1 29 29 LYS CB C 29 31.548 31.548 34.867 -3.319 25067 3849 1 7 . 1 1 29 29 LYS H H 29 7.723 7.723 7.888 -0.165 25067 3850 1 7 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.053 0.019 25067 3851 1 7 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.948 -0.401 25067 3852 1 7 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.187 0.584 25067 3853 1 7 . 1 1 31 31 GLU N N 31 117.703 117.703 118.285 -0.582 25067 3854 1 7 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.105 0.073 25067 3855 1 7 . 1 1 31 31 GLU C C 31 179.251 179.251 178.964 0.287 25067 3856 1 7 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.399 0.197 25067 3857 1 7 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.193 -0.594 25067 3858 1 7 . 1 1 31 31 GLU H H 31 9.034 9.034 8.991 0.043 25067 3859 1 7 . 1 1 32 32 GLU N N 32 121.084 121.084 120.164 0.920 25067 3860 1 7 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.123 0.062 25067 3861 1 7 . 1 1 32 32 GLU C C 32 179.251 179.251 178.600 0.651 25067 3862 1 7 . 1 1 32 32 GLU CA C 32 59.217 59.217 59.064 0.153 25067 3863 1 7 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.299 0.032 25067 3864 1 7 . 1 1 32 32 GLU H H 32 8.046 8.046 8.519 -0.473 25067 3865 1 7 . 1 1 33 33 ALA N N 33 122.906 122.906 123.030 -0.124 25067 3866 1 7 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.161 -0.071 25067 3867 1 7 . 1 1 33 33 ALA C C 33 180.244 180.244 179.794 0.450 25067 3868 1 7 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.450 0.069 25067 3869 1 7 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.532 -0.564 25067 3870 1 7 . 1 1 33 33 ALA H H 33 8.383 8.383 8.022 0.361 25067 3871 1 7 . 1 1 34 34 LYS N N 34 119.560 119.560 117.915 1.645 25067 3872 1 7 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.189 0.001 25067 3873 1 7 . 1 1 34 34 LYS C C 34 179.198 179.198 179.225 -0.027 25067 3874 1 7 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.591 -0.110 25067 3875 1 7 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.397 0.055 25067 3876 1 7 . 1 1 34 34 LYS H H 34 7.885 7.885 8.320 -0.435 25067 3877 1 7 . 1 1 35 35 GLU N N 35 121.053 121.053 120.838 0.215 25067 3878 1 7 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.206 -0.025 25067 3879 1 7 . 1 1 35 35 GLU C C 35 179.288 179.288 178.970 0.318 25067 3880 1 7 . 1 1 35 35 GLU CA C 35 59.391 59.391 58.874 0.517 25067 3881 1 7 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.344 -0.000 25067 3882 1 7 . 1 1 35 35 GLU H H 35 8.042 8.042 7.657 0.385 25067 3883 1 7 . 1 1 36 36 LEU N N 36 121.053 121.053 120.566 0.487 25067 3884 1 7 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.228 0.009 25067 3885 1 7 . 1 1 36 36 LEU C C 36 177.982 177.982 179.352 -1.370 25067 3886 1 7 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.487 0.250 25067 3887 1 7 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.127 0.814 25067 3888 1 7 . 1 1 36 36 LEU H H 36 8.434 8.434 8.116 0.318 25067 3889 1 7 . 1 1 37 37 LEU N N 37 120.035 120.035 121.515 -1.480 25067 3890 1 7 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.942 -0.326 25067 3891 1 7 . 1 1 37 37 LEU C C 37 178.070 178.070 178.284 -0.214 25067 3892 1 7 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.908 0.641 25067 3893 1 7 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.768 0.380 25067 3894 1 7 . 1 1 37 37 LEU H H 37 7.883 7.883 8.714 -0.831 25067 3895 1 7 . 1 1 38 38 LYS N N 38 116.604 116.604 118.542 -1.938 25067 3896 1 7 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.886 -0.090 25067 3897 1 7 . 1 1 38 38 LYS C C 38 178.246 178.246 178.808 -0.562 25067 3898 1 7 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.670 -0.155 25067 3899 1 7 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.131 0.464 25067 3900 1 7 . 1 1 38 38 LYS H H 38 7.102 7.102 7.753 -0.651 25067 3901 1 7 . 1 1 39 39 LYS N N 39 118.823 118.823 119.140 -0.317 25067 3902 1 7 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.152 0.003 25067 3903 1 7 . 1 1 39 39 LYS C C 39 179.464 179.464 178.889 0.575 25067 3904 1 7 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.386 -0.260 25067 3905 1 7 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.564 0.130 25067 3906 1 7 . 1 1 39 39 LYS H H 39 7.752 7.752 7.393 0.359 25067 3907 1 7 . 1 1 40 40 VAL N N 40 119.336 119.336 119.691 -0.355 25067 3908 1 7 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.567 -0.214 25067 3909 1 7 . 1 1 40 40 VAL C C 40 178.612 178.612 177.784 0.828 25067 3910 1 7 . 1 1 40 40 VAL CA C 40 66.336 66.336 65.839 0.497 25067 3911 1 7 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.602 -0.450 25067 3912 1 7 . 1 1 40 40 VAL H H 40 8.925 8.925 8.119 0.806 25067 3913 1 7 . 1 1 41 41 ALA N N 41 120.709 120.709 122.553 -1.844 25067 3914 1 7 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.967 -0.072 25067 3915 1 7 . 1 1 41 41 ALA C C 41 179.163 179.163 179.260 -0.097 25067 3916 1 7 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.233 -0.208 25067 3917 1 7 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.435 0.260 25067 3918 1 7 . 1 1 41 41 ALA H H 41 8.001 8.001 8.126 -0.125 25067 3919 1 7 . 1 1 42 42 GLU N N 42 117.330 117.330 117.303 0.027 25067 3920 1 7 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.043 -0.107 25067 3921 1 7 . 1 1 42 42 GLU C C 42 179.452 179.452 178.961 0.491 25067 3922 1 7 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.066 0.545 25067 3923 1 7 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.285 0.454 25067 3924 1 7 . 1 1 42 42 GLU H H 42 8.197 8.197 7.733 0.464 25067 3925 1 7 . 1 1 43 43 LYS N N 43 119.586 119.586 119.740 -0.154 25067 3926 1 7 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.415 -0.217 25067 3927 1 7 . 1 1 43 43 LYS C C 43 179.595 179.595 178.924 0.671 25067 3928 1 7 . 1 1 43 43 LYS CA C 43 58.769 58.769 58.540 0.229 25067 3929 1 7 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.303 -0.232 25067 3930 1 7 . 1 1 43 43 LYS H H 43 8.119 8.119 7.997 0.122 25067 3931 1 7 . 1 1 44 44 ALA N N 44 121.948 121.948 120.756 1.192 25067 3932 1 7 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.169 0.097 25067 3933 1 7 . 1 1 44 44 ALA C C 44 178.937 178.937 179.080 -0.143 25067 3934 1 7 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.524 0.466 25067 3935 1 7 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.418 -0.617 25067 3936 1 7 . 1 1 44 44 ALA H H 44 8.396 8.396 7.778 0.618 25067 3937 1 7 . 1 1 45 45 ALA N N 45 118.814 118.814 121.278 -2.464 25067 3938 1 7 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.941 0.016 25067 3939 1 7 . 1 1 45 45 ALA C C 45 178.887 178.887 179.123 -0.236 25067 3940 1 7 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.769 0.799 25067 3941 1 7 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.184 -0.157 25067 3942 1 7 . 1 1 45 45 ALA H H 45 8.519 8.519 7.585 0.934 25067 3943 1 7 . 1 1 46 46 ASP N N 46 116.930 116.930 119.557 -2.627 25067 3944 1 7 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.355 0.044 25067 3945 1 7 . 1 1 46 46 ASP C C 46 178.020 178.020 178.619 -0.599 25067 3946 1 7 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.648 -0.008 25067 3947 1 7 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.295 1.541 25067 3948 1 7 . 1 1 46 46 ASP H H 46 7.852 7.852 8.180 -0.328 25067 3949 1 7 . 1 1 47 47 LYS N N 47 119.467 119.467 118.048 1.419 25067 3950 1 7 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.166 -0.073 25067 3951 1 7 . 1 1 47 47 LYS C C 47 178.924 178.924 178.904 0.020 25067 3952 1 7 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.507 1.165 25067 3953 1 7 . 1 1 47 47 LYS CB C 47 32.511 32.511 31.686 0.825 25067 3954 1 7 . 1 1 47 47 LYS H H 47 7.692 7.692 8.205 -0.513 25067 3955 1 7 . 1 1 48 48 ILE N N 48 119.929 119.929 118.930 0.999 25067 3956 1 7 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.905 -0.165 25067 3957 1 7 . 1 1 48 48 ILE C C 48 179.025 179.025 177.166 1.859 25067 3958 1 7 . 1 1 48 48 ILE CA C 48 64.978 64.978 64.651 0.327 25067 3959 1 7 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.828 0.464 25067 3960 1 7 . 1 1 48 48 ILE H H 48 8.585 8.585 7.549 1.036 25067 3961 1 7 . 1 1 49 49 LYS N N 49 119.534 119.534 118.722 0.812 25067 3962 1 7 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.091 -0.074 25067 3963 1 7 . 1 1 49 49 LYS C C 49 179.025 179.025 178.362 0.663 25067 3964 1 7 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.682 0.965 25067 3965 1 7 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.571 0.030 25067 3966 1 7 . 1 1 49 49 LYS H H 49 8.353 8.353 7.904 0.449 25067 3967 1 7 . 1 1 50 50 LYS N N 50 117.423 117.423 116.236 1.187 25067 3968 1 7 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.134 0.082 25067 3969 1 7 . 1 1 50 50 LYS C C 50 178.510 178.510 177.536 0.974 25067 3970 1 7 . 1 1 50 50 LYS CA C 50 58.497 58.497 59.026 -0.529 25067 3971 1 7 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.133 0.189 25067 3972 1 7 . 1 1 50 50 LYS H H 50 7.996 7.996 7.695 0.301 25067 3973 1 7 . 1 1 51 51 GLN N N 51 115.137 115.137 115.058 0.079 25067 3974 1 7 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.555 -0.074 25067 3975 1 7 . 1 1 51 51 GLN C C 51 177.292 177.292 174.285 3.007 25067 3976 1 7 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.980 0.027 25067 3977 1 7 . 1 1 51 51 GLN CB C 51 29.940 29.940 32.789 -2.849 25067 3978 1 7 . 1 1 51 51 GLN H H 51 8.384 8.384 7.678 0.706 25067 3979 1 7 . 1 1 52 52 GLY N N 52 109.119 109.119 106.780 2.339 25067 3980 1 7 . 1 1 52 52 GLY C C 52 174.391 174.391 174.151 0.240 25067 3981 1 7 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.004 1.556 25067 3982 1 7 . 1 1 52 52 GLY H H 52 8.218 8.218 7.569 0.649 25067 3983 1 7 . 1 1 53 53 CYS N N 53 116.935 116.935 123.737 -6.802 25067 3984 1 7 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.338 0.147 25067 3985 1 7 . 1 1 53 53 CYS C C 53 173.989 173.989 176.185 -2.196 25067 3986 1 7 . 1 1 53 53 CYS CA C 53 58.148 58.148 60.702 -2.554 25067 3987 1 7 . 1 1 53 53 CYS CB C 53 28.714 28.714 28.261 0.453 25067 3988 1 7 . 1 1 53 53 CYS H H 53 7.623 7.623 8.991 -1.368 25067 3989 1 7 . 1 1 54 54 LYS N N 54 120.659 120.659 114.406 6.253 25067 3990 1 7 . 1 1 54 54 LYS HA H 54 4.500 4.500 3.938 0.562 25067 3991 1 7 . 1 1 54 54 LYS C C 54 174.793 174.793 175.503 -0.710 25067 3992 1 7 . 1 1 54 54 LYS CA C 54 56.326 56.326 58.988 -2.662 25067 3993 1 7 . 1 1 54 54 LYS CB C 54 33.710 33.710 30.933 2.777 25067 3994 1 7 . 1 1 54 54 LYS H H 54 8.765 8.765 7.975 0.790 25067 3995 1 7 . 1 1 55 55 ARG N N 55 117.927 117.927 119.889 -1.962 25067 3996 1 7 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.973 0.470 25067 3997 1 7 . 1 1 55 55 ARG C C 55 174.517 174.517 174.648 -0.131 25067 3998 1 7 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.128 -0.539 25067 3999 1 7 . 1 1 55 55 ARG CB C 55 33.616 33.616 33.675 -0.059 25067 4000 1 7 . 1 1 55 55 ARG H H 55 7.603 7.603 7.938 -0.335 25067 4001 1 7 . 1 1 56 56 VAL N N 56 122.079 122.079 124.119 -2.040 25067 4002 1 7 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.293 0.532 25067 4003 1 7 . 1 1 56 56 VAL C C 56 173.311 173.311 174.717 -1.406 25067 4004 1 7 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.775 -0.490 25067 4005 1 7 . 1 1 56 56 VAL CB C 56 34.930 34.930 33.185 1.745 25067 4006 1 7 . 1 1 56 56 VAL H H 56 8.853 8.853 8.912 -0.059 25067 4007 1 7 . 1 1 57 57 LYS N N 57 125.849 125.849 128.587 -2.738 25067 4008 1 7 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.848 0.756 25067 4009 1 7 . 1 1 57 57 LYS C C 57 174.881 174.881 175.050 -0.169 25067 4010 1 7 . 1 1 57 57 LYS CA C 57 54.738 54.738 53.760 0.978 25067 4011 1 7 . 1 1 57 57 LYS CB C 57 35.935 35.935 33.200 2.735 25067 4012 1 7 . 1 1 57 57 LYS H H 57 8.819 8.819 8.663 0.156 25067 4013 1 7 . 1 1 58 58 ILE N N 58 125.213 125.213 126.764 -1.551 25067 4014 1 7 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.412 0.755 25067 4015 1 7 . 1 1 58 58 ILE C C 58 174.981 174.981 174.554 0.427 25067 4016 1 7 . 1 1 58 58 ILE CA C 58 60.596 60.596 59.369 1.227 25067 4017 1 7 . 1 1 58 58 ILE CB C 58 40.859 40.859 37.704 3.155 25067 4018 1 7 . 1 1 58 58 ILE H H 58 9.204 9.204 7.994 1.210 25067 4019 1 7 . 1 1 59 59 ARG N N 59 124.047 124.047 126.453 -2.406 25067 4020 1 7 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.049 1.052 25067 4021 1 7 . 1 1 59 59 ARG C C 59 175.144 175.144 174.806 0.338 25067 4022 1 7 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.840 -0.749 25067 4023 1 7 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.501 2.534 25067 4024 1 7 . 1 1 59 59 ARG H H 59 9.467 9.467 8.700 0.767 25067 4025 1 7 . 1 1 60 60 PHE N N 60 113.223 113.223 123.780 -10.557 25067 4026 1 7 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.999 0.205 25067 4027 1 7 . 1 1 60 60 PHE C C 60 173.110 173.110 173.466 -0.356 25067 4028 1 7 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.762 0.169 25067 4029 1 7 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.740 -1.360 25067 4030 1 7 . 1 1 60 60 PHE H H 60 8.451 8.451 8.948 -0.497 25067 4031 1 7 . 1 1 61 61 GLU N N 61 121.333 121.333 127.221 -5.888 25067 4032 1 7 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.461 0.183 25067 4033 1 7 . 1 1 61 61 GLU C C 61 177.147 177.147 174.661 2.486 25067 4034 1 7 . 1 1 61 61 GLU CA C 61 55.965 55.965 54.435 1.530 25067 4035 1 7 . 1 1 61 61 GLU CB C 61 30.698 30.698 32.415 -1.717 25067 4036 1 7 . 1 1 61 61 GLU H H 61 9.572 9.572 8.228 1.344 25067 4037 1 7 . 1 1 62 62 LYS N N 62 121.311 121.311 125.470 -4.159 25067 4038 1 7 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.584 -0.241 25067 4039 1 7 . 1 1 62 62 LYS C C 62 177.398 177.398 175.635 1.763 25067 4040 1 7 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.442 2.743 25067 4041 1 7 . 1 1 62 62 LYS CB C 62 32.937 32.937 33.655 -0.718 25067 4042 1 7 . 1 1 62 62 LYS H H 62 8.160 8.160 8.184 -0.024 25067 4043 1 7 . 1 1 63 63 LYS N N 63 120.742 120.742 122.362 -1.620 25067 4044 1 7 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.521 -0.403 25067 4045 1 7 . 1 1 63 63 LYS C C 63 177.015 177.015 175.955 1.060 25067 4046 1 7 . 1 1 63 63 LYS CA C 63 58.693 58.693 56.180 2.513 25067 4047 1 7 . 1 1 63 63 LYS CB C 63 31.677 31.677 34.151 -2.474 25067 4048 1 7 . 1 1 63 63 LYS H H 63 8.028 8.028 8.443 -0.415 25067 4049 1 7 . 1 1 64 64 GLY C C 64 174.039 174.039 172.663 1.376 25067 4050 1 7 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.919 -0.056 25067 4051 1 7 . 1 1 65 65 LEU N N 65 119.849 119.849 117.652 2.197 25067 4052 1 7 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.894 -0.270 25067 4053 1 7 . 1 1 65 65 LEU C C 65 177.493 177.493 175.395 2.098 25067 4054 1 7 . 1 1 65 65 LEU CA C 65 54.128 54.128 52.638 1.490 25067 4055 1 7 . 1 1 65 65 LEU CB C 65 43.686 43.686 44.009 -0.323 25067 4056 1 7 . 1 1 65 65 LEU H H 65 7.836 7.836 7.409 0.427 25067 4057 1 7 . 1 1 66 66 ASP N N 66 123.296 123.296 116.157 7.139 25067 4058 1 7 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.738 -0.066 25067 4059 1 7 . 1 1 66 66 ASP C C 66 175.471 175.471 176.488 -1.017 25067 4060 1 7 . 1 1 66 66 ASP CA C 66 52.820 52.820 52.408 0.412 25067 4061 1 7 . 1 1 66 66 ASP CB C 66 41.017 41.017 43.168 -2.151 25067 4062 1 7 . 1 1 66 66 ASP H H 66 8.226 8.226 8.263 -0.037 25067 4063 1 7 . 1 1 67 67 ASP N N 67 118.859 118.859 118.912 -0.053 25067 4064 1 7 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.304 -0.061 25067 4065 1 7 . 1 1 67 67 ASP C C 67 178.121 178.121 177.702 0.419 25067 4066 1 7 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.961 0.512 25067 4067 1 7 . 1 1 67 67 ASP CB C 67 41.067 41.067 40.882 0.185 25067 4068 1 7 . 1 1 67 67 ASP H H 67 8.529 8.529 8.669 -0.140 25067 4069 1 7 . 1 1 68 68 ASP N N 68 119.187 119.187 119.552 -0.365 25067 4070 1 7 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.391 -0.051 25067 4071 1 7 . 1 1 68 68 ASP C C 68 177.807 177.807 177.612 0.195 25067 4072 1 7 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.135 0.346 25067 4073 1 7 . 1 1 68 68 ASP CB C 68 41.459 41.459 41.010 0.449 25067 4074 1 7 . 1 1 68 68 ASP H H 68 8.244 8.244 7.885 0.359 25067 4075 1 7 . 1 1 69 69 ALA N N 69 122.537 122.537 121.871 0.666 25067 4076 1 7 . 1 1 69 69 ALA HA H 69 3.628 3.628 3.953 -0.325 25067 4077 1 7 . 1 1 69 69 ALA C C 69 179.452 179.452 179.678 -0.226 25067 4078 1 7 . 1 1 69 69 ALA CA C 69 55.016 55.016 55.033 -0.017 25067 4079 1 7 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.502 0.661 25067 4080 1 7 . 1 1 69 69 ALA H H 69 8.191 8.191 7.759 0.432 25067 4081 1 7 . 1 1 70 70 ARG N N 70 115.799 115.799 118.209 -2.410 25067 4082 1 7 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.941 -0.218 25067 4083 1 7 . 1 1 70 70 ARG C C 70 178.183 178.183 178.131 0.052 25067 4084 1 7 . 1 1 70 70 ARG CA C 70 60.348 60.348 58.930 1.418 25067 4085 1 7 . 1 1 70 70 ARG CB C 70 30.612 30.612 29.823 0.789 25067 4086 1 7 . 1 1 70 70 ARG H H 70 8.419 8.419 8.175 0.244 25067 4087 1 7 . 1 1 71 71 LYS N N 71 118.170 118.170 119.687 -1.517 25067 4088 1 7 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.982 -0.145 25067 4089 1 7 . 1 1 71 71 LYS C C 71 179.891 179.891 179.131 0.760 25067 4090 1 7 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.069 0.581 25067 4091 1 7 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.042 0.377 25067 4092 1 7 . 1 1 71 71 LYS H H 71 7.781 7.781 7.770 0.011 25067 4093 1 7 . 1 1 72 72 LYS N N 72 119.730 119.730 118.238 1.492 25067 4094 1 7 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.137 -0.401 25067 4095 1 7 . 1 1 72 72 LYS C C 72 178.874 178.874 179.063 -0.189 25067 4096 1 7 . 1 1 72 72 LYS CA C 72 59.573 59.573 57.987 1.586 25067 4097 1 7 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.791 0.602 25067 4098 1 7 . 1 1 72 72 LYS H H 72 7.835 7.835 8.165 -0.330 25067 4099 1 7 . 1 1 73 73 ALA N N 73 123.068 123.068 122.722 0.346 25067 4100 1 7 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.775 -0.020 25067 4101 1 7 . 1 1 73 73 ALA C C 73 178.246 178.246 179.012 -0.766 25067 4102 1 7 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.853 0.497 25067 4103 1 7 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.478 0.168 25067 4104 1 7 . 1 1 73 73 ALA H H 73 8.343 8.343 7.905 0.438 25067 4105 1 7 . 1 1 74 74 LYS N N 74 117.936 117.936 118.821 -0.885 25067 4106 1 7 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.328 0.316 25067 4107 1 7 . 1 1 74 74 LYS C C 74 177.694 177.694 178.694 -1.000 25067 4108 1 7 . 1 1 74 74 LYS CA C 74 60.321 60.321 58.852 1.469 25067 4109 1 7 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.011 0.664 25067 4110 1 7 . 1 1 74 74 LYS H H 74 7.934 7.934 7.453 0.481 25067 4111 1 7 . 1 1 75 75 LYS N N 75 116.863 116.863 119.146 -2.283 25067 4112 1 7 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.147 -0.168 25067 4113 1 7 . 1 1 75 75 LYS C C 75 178.884 178.884 178.497 0.387 25067 4114 1 7 . 1 1 75 75 LYS CA C 75 59.409 59.409 58.348 1.061 25067 4115 1 7 . 1 1 75 75 LYS CB C 75 32.497 32.497 31.732 0.765 25067 4116 1 7 . 1 1 75 75 LYS H H 75 7.371 7.371 7.683 -0.312 25067 4117 1 7 . 1 1 76 76 TRP N N 76 121.108 121.108 121.387 -0.279 25067 4118 1 7 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.213 -0.016 25067 4119 1 7 . 1 1 76 76 TRP C C 76 177.618 177.618 177.520 0.098 25067 4120 1 7 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.706 0.020 25067 4121 1 7 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.247 0.747 25067 4122 1 7 . 1 1 76 76 TRP H H 76 8.156 8.156 7.749 0.407 25067 4123 1 7 . 1 1 77 77 ALA N N 77 120.099 120.099 120.507 -0.408 25067 4124 1 7 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.755 0.344 25067 4125 1 7 . 1 1 77 77 ALA C C 77 179.125 179.125 179.917 -0.792 25067 4126 1 7 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.908 0.740 25067 4127 1 7 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.099 0.220 25067 4128 1 7 . 1 1 77 77 ALA H H 77 8.883 8.883 7.904 0.979 25067 4129 1 7 . 1 1 78 78 LEU N N 78 116.584 116.584 119.396 -2.812 25067 4130 1 7 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.956 0.175 25067 4131 1 7 . 1 1 78 78 LEU C C 78 179.828 179.828 179.248 0.580 25067 4132 1 7 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.537 0.306 25067 4133 1 7 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.715 -0.017 25067 4134 1 7 . 1 1 78 78 LEU H H 78 8.238 8.238 7.534 0.704 25067 4135 1 7 . 1 1 79 79 GLU N N 79 121.435 121.435 118.873 2.562 25067 4136 1 7 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.999 0.104 25067 4137 1 7 . 1 1 79 79 GLU C C 79 180.004 180.004 179.431 0.573 25067 4138 1 7 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.128 0.242 25067 4139 1 7 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.168 -0.046 25067 4140 1 7 . 1 1 79 79 GLU H H 79 8.296 8.296 7.676 0.620 25067 4141 1 7 . 1 1 80 80 VAL N N 80 122.863 122.863 120.028 2.835 25067 4142 1 7 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.422 -0.067 25067 4143 1 7 . 1 1 80 80 VAL C C 80 177.044 177.044 177.579 -0.535 25067 4144 1 7 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.665 -0.196 25067 4145 1 7 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.712 -0.014 25067 4146 1 7 . 1 1 80 80 VAL H H 80 8.603 8.603 8.112 0.491 25067 4147 1 7 . 1 1 81 81 ALA N N 81 122.490 122.490 121.440 1.050 25067 4148 1 7 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.843 -0.110 25067 4149 1 7 . 1 1 81 81 ALA C C 81 178.529 178.529 179.904 -1.375 25067 4150 1 7 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.297 0.348 25067 4151 1 7 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.023 0.392 25067 4152 1 7 . 1 1 81 81 ALA H H 81 7.684 7.684 7.621 0.063 25067 4153 1 7 . 1 1 82 82 ASN N N 82 114.569 114.569 114.847 -0.278 25067 4154 1 7 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.457 -0.079 25067 4155 1 7 . 1 1 82 82 ASN C C 82 177.505 177.505 177.614 -0.109 25067 4156 1 7 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.894 0.309 25067 4157 1 7 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.515 0.319 25067 4158 1 7 . 1 1 82 82 ASN H H 82 7.752 7.752 8.067 -0.315 25067 4159 1 7 . 1 1 83 83 LYS N N 83 121.384 121.384 121.082 0.302 25067 4160 1 7 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.081 0.013 25067 4161 1 7 . 1 1 83 83 LYS C C 83 179.037 179.037 178.609 0.428 25067 4162 1 7 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.918 0.157 25067 4163 1 7 . 1 1 83 83 LYS CB C 83 32.148 32.148 32.280 -0.132 25067 4164 1 7 . 1 1 83 83 LYS H H 83 8.343 8.343 7.799 0.544 25067 4165 1 7 . 1 1 84 84 ILE N N 84 120.298 120.298 118.552 1.746 25067 4166 1 7 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.784 -0.299 25067 4167 1 7 . 1 1 84 84 ILE C C 84 177.063 177.063 178.182 -1.119 25067 4168 1 7 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.118 1.069 25067 4169 1 7 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.617 0.771 25067 4170 1 7 . 1 1 84 84 ILE H H 84 8.496 8.496 8.137 0.359 25067 4171 1 7 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.987 -0.171 25067 4172 1 7 . 1 1 85 85 ALA C C 85 179.891 179.891 179.167 0.724 25067 4173 1 7 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.009 0.782 25067 4174 1 7 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.099 -0.051 25067 4175 1 7 . 1 1 85 85 ALA H H 85 7.768 7.768 7.838 -0.070 25067 4176 1 7 . 1 1 86 86 ASN N N 86 116.155 116.155 115.403 0.752 25067 4177 1 7 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.505 0.030 25067 4178 1 7 . 1 1 86 86 ASN C C 86 178.423 178.423 177.372 1.051 25067 4179 1 7 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.536 0.570 25067 4180 1 7 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.691 0.093 25067 4181 1 7 . 1 1 86 86 ASN H H 86 8.355 8.355 7.817 0.538 25067 4182 1 7 . 1 1 87 87 GLU N N 87 120.806 120.806 118.850 1.956 25067 4183 1 7 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.155 0.021 25067 4184 1 7 . 1 1 87 87 GLU C C 87 178.381 178.381 177.802 0.579 25067 4185 1 7 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.423 0.486 25067 4186 1 7 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.688 -0.036 25067 4187 1 7 . 1 1 87 87 GLU H H 87 8.431 8.431 8.075 0.356 25067 4188 1 7 . 1 1 88 88 LEU N N 88 115.825 115.825 116.792 -0.967 25067 4189 1 7 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.538 -0.182 25067 4190 1 7 . 1 1 88 88 LEU C C 88 177.442 177.442 177.417 0.025 25067 4191 1 7 . 1 1 88 88 LEU CA C 88 54.577 54.577 54.795 -0.219 25067 4192 1 7 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.369 1.131 25067 4193 1 7 . 1 1 88 88 LEU H H 88 7.547 7.547 7.524 0.023 25067 4194 1 7 . 1 1 89 89 GLY N N 89 109.579 109.579 108.606 0.973 25067 4195 1 7 . 1 1 89 89 GLY C C 89 174.321 174.321 173.212 1.109 25067 4196 1 7 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.458 1.050 25067 4197 1 7 . 1 1 89 89 GLY H H 89 7.934 7.934 7.913 0.021 25067 4198 1 7 . 1 1 90 90 ALA N N 90 120.990 120.990 125.608 -4.618 25067 4199 1 7 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.700 -0.051 25067 4200 1 7 . 1 1 90 90 ALA C C 90 177.053 177.053 175.675 1.378 25067 4201 1 7 . 1 1 90 90 ALA CA C 90 51.074 51.074 50.981 0.093 25067 4202 1 7 . 1 1 90 90 ALA CB C 90 21.819 21.819 21.605 0.214 25067 4203 1 7 . 1 1 90 90 ALA H H 90 8.017 8.017 7.942 0.075 25067 4204 1 7 . 1 1 91 91 LYS N N 91 120.615 120.615 119.649 0.966 25067 4205 1 7 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.363 0.053 25067 4206 1 7 . 1 1 91 91 LYS C C 91 175.765 175.765 176.455 -0.690 25067 4207 1 7 . 1 1 91 91 LYS CA C 91 56.179 56.179 56.081 0.098 25067 4208 1 7 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.103 -0.361 25067 4209 1 7 . 1 1 91 91 LYS H H 91 8.366 8.366 8.494 -0.128 25067 4210 1 7 . 1 1 92 92 GLN N N 92 119.273 119.273 118.327 0.946 25067 4211 1 7 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.471 0.690 25067 4212 1 7 . 1 1 92 92 GLN C C 92 175.136 175.136 175.594 -0.458 25067 4213 1 7 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.104 -0.994 25067 4214 1 7 . 1 1 92 92 GLN CB C 92 30.681 30.681 30.296 0.385 25067 4215 1 7 . 1 1 92 92 GLN H H 92 8.495 8.495 8.391 0.104 25067 4216 1 7 . 1 1 93 93 SER N N 93 117.003 117.003 113.922 3.081 25067 4217 1 7 . 1 1 93 93 SER HA H 93 4.781 4.781 4.989 -0.208 25067 4218 1 7 . 1 1 93 93 SER C C 93 173.735 173.735 173.954 -0.219 25067 4219 1 7 . 1 1 93 93 SER CA C 93 57.819 57.819 56.858 0.961 25067 4220 1 7 . 1 1 93 93 SER CB C 93 64.648 64.648 65.603 -0.954 25067 4221 1 7 . 1 1 93 93 SER H H 93 8.441 8.441 8.358 0.083 25067 4222 1 7 . 1 1 94 94 THR HA H 94 4.781 4.781 4.738 0.043 25067 4223 1 7 . 1 1 94 94 THR CA C 94 61.111 61.111 60.519 0.592 25067 4224 1 7 . 1 1 94 94 THR CB C 94 71.032 71.032 69.836 1.196 25067 4225 1 7 . 1 1 95 95 THR N N 95 119.923 119.923 119.871 0.052 25067 4226 1 7 . 1 1 95 95 THR HA H 95 5.098 5.098 4.809 0.289 25067 4227 1 7 . 1 1 95 95 THR CA C 95 60.438 60.438 60.792 -0.354 25067 4228 1 7 . 1 1 95 95 THR CB C 95 70.780 70.780 70.965 -0.185 25067 4229 1 7 . 1 1 95 95 THR H H 95 8.762 8.762 8.338 0.424 25067 4230 1 7 . 1 1 96 96 THR HA H 96 4.367 4.367 4.513 -0.146 25067 4231 1 7 . 1 1 96 96 THR CA C 96 61.740 61.740 62.226 -0.486 25067 4232 1 7 . 1 1 96 96 THR CB C 96 70.992 70.992 69.426 1.566 25067 4233 1 7 . 1 1 97 97 THR N N 97 120.315 120.315 121.744 -1.429 25067 4234 1 7 . 1 1 97 97 THR HA H 97 5.363 5.363 4.965 0.398 25067 4235 1 7 . 1 1 97 97 THR CA C 97 61.379 61.379 61.101 0.278 25067 4236 1 7 . 1 1 97 97 THR CB C 97 71.216 71.216 69.307 1.909 25067 4237 1 7 . 1 1 97 97 THR H H 97 8.999 8.999 8.903 0.096 25067 4238 1 7 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.887 0.305 25067 4239 1 7 . 1 1 98 98 ASP C C 98 175.672 175.672 177.195 -1.523 25067 4240 1 7 . 1 1 98 98 ASP CA C 98 52.593 52.593 54.618 -2.025 25067 4241 1 7 . 1 1 98 98 ASP CB C 98 41.735 41.735 41.714 0.021 25067 4242 1 7 . 1 1 99 99 GLY N N 99 111.919 111.919 108.432 3.487 25067 4243 1 7 . 1 1 99 99 GLY C C 99 174.049 174.049 174.649 -0.600 25067 4244 1 7 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.399 -1.373 25067 4245 1 7 . 1 1 99 99 GLY H H 99 7.817 7.817 7.914 -0.097 25067 4246 1 7 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.559 -0.005 25067 4247 1 7 . 1 1 100 100 ASP C C 100 177.518 177.518 175.857 1.661 25067 4248 1 7 . 1 1 100 100 ASP CA C 100 57.488 57.488 56.277 1.211 25067 4249 1 7 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.338 0.299 25067 4250 1 7 . 1 1 101 101 THR N N 101 112.835 112.835 113.094 -0.259 25067 4251 1 7 . 1 1 101 101 THR HA H 101 4.613 4.613 4.662 -0.049 25067 4252 1 7 . 1 1 101 101 THR C C 101 173.003 173.003 172.950 0.053 25067 4253 1 7 . 1 1 101 101 THR CA C 101 60.857 60.857 62.001 -1.144 25067 4254 1 7 . 1 1 101 101 THR CB C 101 70.589 70.589 70.560 0.029 25067 4255 1 7 . 1 1 101 101 THR H H 101 7.819 7.819 7.537 0.282 25067 4256 1 7 . 1 1 102 102 PHE N N 102 126.633 126.633 126.453 0.180 25067 4257 1 7 . 1 1 102 102 PHE HA H 102 4.891 4.891 5.051 -0.160 25067 4258 1 7 . 1 1 102 102 PHE C C 102 173.286 173.286 173.112 0.174 25067 4259 1 7 . 1 1 102 102 PHE CA C 102 57.173 57.173 55.727 1.446 25067 4260 1 7 . 1 1 102 102 PHE CB C 102 40.719 40.719 42.583 -1.864 25067 4261 1 7 . 1 1 102 102 PHE H H 102 8.581 8.581 8.816 -0.235 25067 4262 1 7 . 1 1 103 103 GLU N N 103 125.528 125.528 128.101 -2.573 25067 4263 1 7 . 1 1 103 103 GLU HA H 103 5.237 5.237 4.714 0.523 25067 4264 1 7 . 1 1 103 103 GLU C C 103 173.851 173.851 174.304 -0.453 25067 4265 1 7 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.171 -0.111 25067 4266 1 7 . 1 1 103 103 GLU CB C 103 34.318 34.318 32.717 1.601 25067 4267 1 7 . 1 1 103 103 GLU H H 103 7.986 7.986 8.666 -0.680 25067 4268 1 7 . 1 1 104 104 VAL N N 104 124.582 124.582 124.559 0.023 25067 4269 1 7 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.514 0.130 25067 4270 1 7 . 1 1 104 104 VAL C C 104 173.763 173.763 173.920 -0.157 25067 4271 1 7 . 1 1 104 104 VAL CA C 104 59.963 59.963 60.595 -0.632 25067 4272 1 7 . 1 1 104 104 VAL CB C 104 34.370 34.370 35.688 -1.317 25067 4273 1 7 . 1 1 104 104 VAL H H 104 9.245 9.245 8.401 0.844 25067 4274 1 7 . 1 1 105 105 GLU N N 105 127.755 127.755 126.464 1.291 25067 4275 1 7 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.877 0.375 25067 4276 1 7 . 1 1 105 105 GLU C C 105 174.572 174.572 174.640 -0.068 25067 4277 1 7 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.744 -0.385 25067 4278 1 7 . 1 1 105 105 GLU CB C 105 32.818 32.818 33.546 -0.728 25067 4279 1 7 . 1 1 105 105 GLU H H 105 9.040 9.040 8.967 0.073 25067 4280 1 7 . 1 1 106 106 VAL N N 106 127.452 127.452 127.149 0.303 25067 4281 1 7 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.294 0.474 25067 4282 1 7 . 1 1 106 106 VAL C C 106 174.692 174.692 174.416 0.276 25067 4283 1 7 . 1 1 106 106 VAL CA C 106 60.423 60.423 60.831 -0.408 25067 4284 1 7 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.021 2.121 25067 4285 1 7 . 1 1 106 106 VAL H H 106 9.315 9.315 9.006 0.309 25067 4286 1 7 . 1 1 107 107 ILE N N 107 127.006 127.006 129.341 -2.335 25067 4287 1 7 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.446 0.171 25067 4288 1 7 . 1 1 107 107 ILE C C 107 176.187 176.187 175.386 0.801 25067 4289 1 7 . 1 1 107 107 ILE CA C 107 60.406 60.406 59.474 0.932 25067 4290 1 7 . 1 1 107 107 ILE CB C 107 38.521 38.521 35.995 2.526 25067 4291 1 7 . 1 1 107 107 ILE H H 107 8.814 8.814 7.955 0.859 25067 4292 1 7 . 1 1 108 108 LEU N N 108 128.313 128.313 129.417 -1.104 25067 4293 1 7 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.585 0.172 25067 4294 1 7 . 1 1 108 108 LEU C C 108 176.058 176.058 175.747 0.311 25067 4295 1 7 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.824 0.300 25067 4296 1 7 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.995 1.079 25067 4297 1 7 . 1 1 108 108 LEU H H 108 8.652 8.652 8.097 0.555 25067 4298 1 7 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.418 0.114 25067 4299 1 7 . 1 1 109 109 GLU C C 109 175.408 175.408 176.071 -0.663 25067 4300 1 7 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.756 -0.395 25067 4301 1 7 . 1 1 109 109 GLU CB C 109 30.647 30.647 28.927 1.720 25067 4302 1 7 . 1 1 110 110 LEU N N 110 125.467 125.467 122.451 3.016 25067 4303 1 7 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.358 0.043 25067 4304 1 7 . 1 1 110 110 LEU C C 110 176.854 176.854 176.070 0.784 25067 4305 1 7 . 1 1 110 110 LEU CA C 110 54.969 54.969 53.793 1.176 25067 4306 1 7 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.316 0.199 25067 4307 1 7 . 1 1 110 110 LEU H H 110 8.402 8.402 7.746 0.656 25067 4308 1 7 . 1 1 111 111 GLU N N 111 121.575 121.575 120.350 1.225 25067 4309 1 7 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.066 0.195 25067 4310 1 7 . 1 1 111 111 GLU CA C 111 56.521 56.521 56.967 -0.446 25067 4311 1 7 . 1 1 111 111 GLU CB C 111 30.291 30.291 28.713 1.578 25067 4312 1 7 . 1 1 111 111 GLU H H 111 8.607 8.607 8.070 0.537 25067 4313 1 8 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.856 -0.736 25067 4314 1 8 . 1 1 2 2 ALA CA C 2 52.161 52.161 51.611 0.550 25067 4315 1 8 . 1 1 2 2 ALA CB C 2 19.392 19.392 20.604 -1.212 25067 4316 1 8 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.334 0.044 25067 4317 1 8 . 1 1 4 4 LYS C C 4 176.563 176.563 175.838 0.725 25067 4318 1 8 . 1 1 4 4 LYS CA C 4 56.384 56.384 56.263 0.121 25067 4319 1 8 . 1 1 4 4 LYS CB C 4 33.156 33.156 32.704 0.452 25067 4320 1 8 . 1 1 5 5 GLU N N 5 122.511 122.511 120.300 2.211 25067 4321 1 8 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.368 0.009 25067 4322 1 8 . 1 1 5 5 GLU C C 5 176.099 176.099 176.188 -0.089 25067 4323 1 8 . 1 1 5 5 GLU CA C 5 56.384 56.384 55.318 1.066 25067 4324 1 8 . 1 1 5 5 GLU CB C 5 29.803 29.803 30.064 -0.261 25067 4325 1 8 . 1 1 5 5 GLU H H 5 8.601 8.601 7.811 0.790 25067 4326 1 8 . 1 1 6 6 LEU N N 6 124.063 124.063 125.610 -1.547 25067 4327 1 8 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.363 0.036 25067 4328 1 8 . 1 1 6 6 LEU C C 6 175.082 175.082 176.557 -1.475 25067 4329 1 8 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.396 0.329 25067 4330 1 8 . 1 1 6 6 LEU CB C 6 42.213 42.213 40.661 1.552 25067 4331 1 8 . 1 1 6 6 LEU H H 6 8.409 8.409 8.405 0.004 25067 4332 1 8 . 1 1 7 7 ARG N N 7 122.244 122.244 123.244 -1.000 25067 4333 1 8 . 1 1 7 7 ARG HA H 7 4.445 4.445 3.642 0.803 25067 4334 1 8 . 1 1 7 7 ARG C C 7 174.768 174.768 174.546 0.222 25067 4335 1 8 . 1 1 7 7 ARG CA C 7 54.690 54.690 54.711 -0.021 25067 4336 1 8 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.277 1.813 25067 4337 1 8 . 1 1 7 7 ARG H H 7 8.016 8.016 7.969 0.047 25067 4338 1 8 . 1 1 8 8 VAL N N 8 123.767 123.767 118.514 5.253 25067 4339 1 8 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.699 -0.407 25067 4340 1 8 . 1 1 8 8 VAL C C 8 173.562 173.562 174.881 -1.319 25067 4341 1 8 . 1 1 8 8 VAL CA C 8 60.842 60.842 60.626 0.216 25067 4342 1 8 . 1 1 8 8 VAL CB C 8 34.184 34.184 34.076 0.108 25067 4343 1 8 . 1 1 8 8 VAL H H 8 8.659 8.659 8.089 0.570 25067 4344 1 8 . 1 1 9 9 GLU N N 9 127.779 127.779 125.782 1.997 25067 4345 1 8 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.758 0.132 25067 4346 1 8 . 1 1 9 9 GLU C C 9 175.446 175.446 175.431 0.015 25067 4347 1 8 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.689 0.794 25067 4348 1 8 . 1 1 9 9 GLU CB C 9 30.750 30.750 29.685 1.065 25067 4349 1 8 . 1 1 9 9 GLU H H 9 8.513 8.513 8.306 0.207 25067 4350 1 8 . 1 1 10 10 ILE N N 10 127.770 127.770 125.698 2.072 25067 4351 1 8 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.285 0.615 25067 4352 1 8 . 1 1 10 10 ILE C C 10 174.981 174.981 175.100 -0.119 25067 4353 1 8 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.641 -1.217 25067 4354 1 8 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.240 1.405 25067 4355 1 8 . 1 1 10 10 ILE H H 10 9.199 9.199 8.001 1.198 25067 4356 1 8 . 1 1 11 11 LYS N N 11 125.866 125.866 129.702 -3.836 25067 4357 1 8 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.971 0.467 25067 4358 1 8 . 1 1 11 11 LYS C C 11 175.835 175.835 174.876 0.959 25067 4359 1 8 . 1 1 11 11 LYS CA C 11 54.817 54.817 53.889 0.928 25067 4360 1 8 . 1 1 11 11 LYS CB C 11 35.060 35.060 34.399 0.661 25067 4361 1 8 . 1 1 11 11 LYS H H 11 9.257 9.257 8.848 0.409 25067 4362 1 8 . 1 1 12 12 ILE N N 12 121.799 121.799 127.269 -5.470 25067 4363 1 8 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.282 1.017 25067 4364 1 8 . 1 1 12 12 ILE C C 12 175.132 175.132 174.572 0.560 25067 4365 1 8 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.980 0.154 25067 4366 1 8 . 1 1 12 12 ILE CB C 12 39.666 39.666 38.245 1.421 25067 4367 1 8 . 1 1 12 12 ILE H H 12 9.075 9.075 8.868 0.207 25067 4368 1 8 . 1 1 13 13 ASP N N 13 129.263 129.263 129.245 0.018 25067 4369 1 8 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.766 0.443 25067 4370 1 8 . 1 1 13 13 ASP C C 13 175.898 175.898 174.585 1.313 25067 4371 1 8 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.884 -1.153 25067 4372 1 8 . 1 1 13 13 ASP CB C 13 43.750 43.750 40.890 2.860 25067 4373 1 8 . 1 1 13 13 ASP H H 13 9.415 9.415 8.225 1.190 25067 4374 1 8 . 1 1 14 14 CYS N N 14 122.767 122.767 121.202 1.565 25067 4375 1 8 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.865 0.067 25067 4376 1 8 . 1 1 14 14 CYS C C 14 174.228 174.228 172.971 1.257 25067 4377 1 8 . 1 1 14 14 CYS CA C 14 58.269 58.269 57.291 0.978 25067 4378 1 8 . 1 1 14 14 CYS CB C 14 28.447 28.447 30.910 -2.463 25067 4379 1 8 . 1 1 14 14 CYS H H 14 9.274 9.274 7.805 1.469 25067 4380 1 8 . 1 1 15 15 GLY N N 15 110.606 110.606 108.180 2.426 25067 4381 1 8 . 1 1 15 15 GLY C C 15 173.986 173.986 173.768 0.218 25067 4382 1 8 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.484 0.408 25067 4383 1 8 . 1 1 15 15 GLY H H 15 8.919 8.919 8.495 0.424 25067 4384 1 8 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.924 -0.128 25067 4385 1 8 . 1 1 16 16 ASN C C 16 175.157 175.157 175.210 -0.053 25067 4386 1 8 . 1 1 16 16 ASN CA C 16 53.181 53.181 51.344 1.837 25067 4387 1 8 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.481 0.474 25067 4388 1 8 . 1 1 17 17 ASP N N 17 118.767 118.767 122.316 -3.549 25067 4389 1 8 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.175 0.414 25067 4390 1 8 . 1 1 17 17 ASP C C 17 175.493 175.493 175.674 -0.181 25067 4391 1 8 . 1 1 17 17 ASP CA C 17 54.533 54.533 56.673 -2.140 25067 4392 1 8 . 1 1 17 17 ASP CB C 17 40.992 40.992 40.213 0.779 25067 4393 1 8 . 1 1 17 17 ASP H H 17 8.409 8.409 8.857 -0.448 25067 4394 1 8 . 1 1 18 18 ASP N N 18 119.912 119.912 121.862 -1.950 25067 4395 1 8 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.664 -0.058 25067 4396 1 8 . 1 1 18 18 ASP C C 18 175.870 175.870 175.410 0.460 25067 4397 1 8 . 1 1 18 18 ASP CA C 18 54.242 54.242 54.173 0.069 25067 4398 1 8 . 1 1 18 18 ASP CB C 18 41.116 41.116 42.184 -1.068 25067 4399 1 8 . 1 1 18 18 ASP H H 18 8.291 8.291 8.145 0.146 25067 4400 1 8 . 1 1 19 19 LYS N N 19 120.828 120.828 123.106 -2.278 25067 4401 1 8 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.246 0.193 25067 4402 1 8 . 1 1 19 19 LYS C C 19 176.121 176.121 176.544 -0.423 25067 4403 1 8 . 1 1 19 19 LYS CA C 19 55.646 55.646 56.449 -0.803 25067 4404 1 8 . 1 1 19 19 LYS CB C 19 33.015 33.015 34.158 -1.143 25067 4405 1 8 . 1 1 19 19 LYS H H 19 8.140 8.140 8.421 -0.281 25067 4406 1 8 . 1 1 20 20 GLU N N 20 123.292 123.292 121.148 2.144 25067 4407 1 8 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.325 0.215 25067 4408 1 8 . 1 1 20 20 GLU C C 20 176.413 176.413 176.301 0.112 25067 4409 1 8 . 1 1 20 20 GLU CA C 20 56.518 56.518 57.039 -0.521 25067 4410 1 8 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.153 1.390 25067 4411 1 8 . 1 1 20 20 GLU H H 20 8.645 8.645 8.516 0.129 25067 4412 1 8 . 1 1 21 21 THR N N 21 119.747 119.747 118.097 1.650 25067 4413 1 8 . 1 1 21 21 THR HA H 21 4.517 4.517 4.727 -0.210 25067 4414 1 8 . 1 1 21 21 THR C C 21 173.148 173.148 174.301 -1.153 25067 4415 1 8 . 1 1 21 21 THR CA C 21 61.989 61.989 60.509 1.480 25067 4416 1 8 . 1 1 21 21 THR CB C 21 70.485 70.485 70.362 0.123 25067 4417 1 8 . 1 1 21 21 THR H H 21 8.589 8.589 8.337 0.252 25067 4418 1 8 . 1 1 22 22 THR N N 22 119.539 119.539 118.479 1.060 25067 4419 1 8 . 1 1 22 22 THR HA H 22 5.342 5.342 5.451 -0.109 25067 4420 1 8 . 1 1 22 22 THR C C 22 173.148 173.148 174.220 -1.072 25067 4421 1 8 . 1 1 22 22 THR CA C 22 60.977 60.977 60.631 0.346 25067 4422 1 8 . 1 1 22 22 THR CB C 22 70.490 70.490 69.984 0.506 25067 4423 1 8 . 1 1 22 22 THR H H 22 8.191 8.191 8.568 -0.377 25067 4424 1 8 . 1 1 23 23 TYR N N 23 123.279 123.279 123.738 -0.459 25067 4425 1 8 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.649 0.005 25067 4426 1 8 . 1 1 23 23 TYR C C 23 173.400 173.400 175.479 -2.079 25067 4427 1 8 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.246 -0.264 25067 4428 1 8 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.611 1.707 25067 4429 1 8 . 1 1 23 23 TYR H H 23 9.268 9.268 8.605 0.663 25067 4430 1 8 . 1 1 24 24 ASP N N 24 121.837 121.837 123.800 -1.963 25067 4431 1 8 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.272 -0.428 25067 4432 1 8 . 1 1 24 24 ASP C C 24 173.400 173.400 176.011 -2.611 25067 4433 1 8 . 1 1 24 24 ASP CA C 24 53.469 53.469 54.302 -0.833 25067 4434 1 8 . 1 1 24 24 ASP CB C 24 41.941 41.941 40.898 1.043 25067 4435 1 8 . 1 1 24 24 ASP H H 24 8.484 8.484 8.899 -0.415 25067 4436 1 8 . 1 1 25 25 LEU N N 25 126.268 126.268 118.919 7.349 25067 4437 1 8 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.754 -0.654 25067 4438 1 8 . 1 1 25 25 LEU C C 25 174.677 174.677 176.491 -1.814 25067 4439 1 8 . 1 1 25 25 LEU CA C 25 52.733 52.733 54.647 -1.914 25067 4440 1 8 . 1 1 25 25 LEU CB C 25 42.626 42.626 43.741 -1.115 25067 4441 1 8 . 1 1 25 25 LEU H H 25 8.619 8.619 8.336 0.283 25067 4442 1 8 . 1 1 26 26 TYR N N 26 123.695 123.695 115.670 8.025 25067 4443 1 8 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.336 0.299 25067 4444 1 8 . 1 1 26 26 TYR C C 26 176.833 176.833 174.198 2.635 25067 4445 1 8 . 1 1 26 26 TYR CA C 26 56.282 56.282 59.515 -3.233 25067 4446 1 8 . 1 1 26 26 TYR CB C 26 38.143 38.143 37.513 0.630 25067 4447 1 8 . 1 1 26 26 TYR H H 26 8.465 8.465 7.854 0.611 25067 4448 1 8 . 1 1 27 27 PHE N N 27 119.951 119.951 117.029 2.922 25067 4449 1 8 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.602 0.184 25067 4450 1 8 . 1 1 27 27 PHE C C 27 176.205 176.205 173.964 2.241 25067 4451 1 8 . 1 1 27 27 PHE CA C 27 60.136 60.136 57.576 2.560 25067 4452 1 8 . 1 1 27 27 PHE CB C 27 38.455 38.455 42.619 -4.164 25067 4453 1 8 . 1 1 27 27 PHE H H 27 7.991 7.991 8.354 -0.363 25067 4454 1 8 . 1 1 28 28 SER N N 28 114.987 114.987 115.926 -0.939 25067 4455 1 8 . 1 1 28 28 SER HA H 28 4.455 4.455 4.203 0.252 25067 4456 1 8 . 1 1 28 28 SER C C 28 174.517 174.517 172.521 1.996 25067 4457 1 8 . 1 1 28 28 SER CA C 28 59.489 59.489 57.868 1.621 25067 4458 1 8 . 1 1 28 28 SER CB C 28 62.828 62.828 63.886 -1.058 25067 4459 1 8 . 1 1 28 28 SER H H 28 8.508 8.508 7.655 0.853 25067 4460 1 8 . 1 1 29 29 LYS N N 29 123.721 123.721 118.715 5.006 25067 4461 1 8 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.157 0.496 25067 4462 1 8 . 1 1 29 29 LYS C C 29 175.954 175.954 174.984 0.970 25067 4463 1 8 . 1 1 29 29 LYS CA C 29 54.695 54.695 55.664 -0.969 25067 4464 1 8 . 1 1 29 29 LYS CB C 29 31.548 31.548 34.133 -2.585 25067 4465 1 8 . 1 1 29 29 LYS H H 29 7.723 7.723 6.730 0.993 25067 4466 1 8 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.242 -0.170 25067 4467 1 8 . 1 1 30 30 ALA CA C 30 55.547 55.547 54.631 0.916 25067 4468 1 8 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.509 0.262 25067 4469 1 8 . 1 1 31 31 GLU N N 31 117.703 117.703 118.549 -0.846 25067 4470 1 8 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.037 0.141 25067 4471 1 8 . 1 1 31 31 GLU C C 31 179.251 179.251 178.998 0.253 25067 4472 1 8 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.708 -0.112 25067 4473 1 8 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.043 -0.444 25067 4474 1 8 . 1 1 31 31 GLU H H 31 9.034 9.034 8.727 0.307 25067 4475 1 8 . 1 1 32 32 GLU N N 32 121.084 121.084 119.225 1.859 25067 4476 1 8 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.055 0.130 25067 4477 1 8 . 1 1 32 32 GLU C C 32 179.251 179.251 178.606 0.645 25067 4478 1 8 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.888 0.329 25067 4479 1 8 . 1 1 32 32 GLU CB C 32 29.331 29.331 28.521 0.810 25067 4480 1 8 . 1 1 32 32 GLU H H 32 8.046 8.046 8.066 -0.020 25067 4481 1 8 . 1 1 33 33 ALA N N 33 122.906 122.906 123.622 -0.716 25067 4482 1 8 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.581 0.509 25067 4483 1 8 . 1 1 33 33 ALA C C 33 180.244 180.244 179.377 0.867 25067 4484 1 8 . 1 1 33 33 ALA CA C 33 55.519 55.519 54.911 0.608 25067 4485 1 8 . 1 1 33 33 ALA CB C 33 17.968 17.968 17.839 0.129 25067 4486 1 8 . 1 1 33 33 ALA H H 33 8.383 8.383 7.766 0.617 25067 4487 1 8 . 1 1 34 34 LYS N N 34 119.560 119.560 118.654 0.906 25067 4488 1 8 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.238 -0.048 25067 4489 1 8 . 1 1 34 34 LYS C C 34 179.198 179.198 178.816 0.382 25067 4490 1 8 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.102 0.379 25067 4491 1 8 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.326 0.126 25067 4492 1 8 . 1 1 34 34 LYS H H 34 7.885 7.885 7.855 0.030 25067 4493 1 8 . 1 1 35 35 GLU N N 35 121.053 121.053 120.487 0.566 25067 4494 1 8 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.123 0.058 25067 4495 1 8 . 1 1 35 35 GLU C C 35 179.288 179.288 179.257 0.031 25067 4496 1 8 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.485 -0.094 25067 4497 1 8 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.675 -0.331 25067 4498 1 8 . 1 1 35 35 GLU H H 35 8.042 8.042 7.680 0.362 25067 4499 1 8 . 1 1 36 36 LEU N N 36 121.053 121.053 120.148 0.905 25067 4500 1 8 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.242 -0.004 25067 4501 1 8 . 1 1 36 36 LEU C C 36 177.982 177.982 179.425 -1.443 25067 4502 1 8 . 1 1 36 36 LEU CA C 36 57.737 57.737 56.997 0.740 25067 4503 1 8 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.023 0.918 25067 4504 1 8 . 1 1 36 36 LEU H H 36 8.434 8.434 8.256 0.178 25067 4505 1 8 . 1 1 37 37 LEU N N 37 120.035 120.035 120.951 -0.916 25067 4506 1 8 . 1 1 37 37 LEU HA H 37 3.616 3.616 4.036 -0.420 25067 4507 1 8 . 1 1 37 37 LEU C C 37 178.070 178.070 178.405 -0.335 25067 4508 1 8 . 1 1 37 37 LEU CA C 37 59.549 59.549 59.117 0.432 25067 4509 1 8 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.928 0.220 25067 4510 1 8 . 1 1 37 37 LEU H H 37 7.883 7.883 8.578 -0.695 25067 4511 1 8 . 1 1 38 38 LYS N N 38 116.604 116.604 118.432 -1.828 25067 4512 1 8 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.948 -0.152 25067 4513 1 8 . 1 1 38 38 LYS C C 38 178.246 178.246 178.913 -0.667 25067 4514 1 8 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.197 0.319 25067 4515 1 8 . 1 1 38 38 LYS CB C 38 32.595 32.595 31.837 0.758 25067 4516 1 8 . 1 1 38 38 LYS H H 38 7.102 7.102 7.695 -0.593 25067 4517 1 8 . 1 1 39 39 LYS N N 39 118.823 118.823 119.176 -0.353 25067 4518 1 8 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.147 0.008 25067 4519 1 8 . 1 1 39 39 LYS C C 39 179.464 179.464 179.130 0.334 25067 4520 1 8 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.366 -0.240 25067 4521 1 8 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.510 0.184 25067 4522 1 8 . 1 1 39 39 LYS H H 39 7.752 7.752 7.449 0.303 25067 4523 1 8 . 1 1 40 40 VAL N N 40 119.336 119.336 119.407 -0.071 25067 4524 1 8 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.680 -0.327 25067 4525 1 8 . 1 1 40 40 VAL C C 40 178.612 178.612 177.811 0.801 25067 4526 1 8 . 1 1 40 40 VAL CA C 40 66.336 66.336 65.520 0.816 25067 4527 1 8 . 1 1 40 40 VAL CB C 40 31.152 31.152 30.982 0.170 25067 4528 1 8 . 1 1 40 40 VAL H H 40 8.925 8.925 8.234 0.691 25067 4529 1 8 . 1 1 41 41 ALA N N 41 120.709 120.709 122.412 -1.703 25067 4530 1 8 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.992 -0.097 25067 4531 1 8 . 1 1 41 41 ALA C C 41 179.163 179.163 179.997 -0.834 25067 4532 1 8 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.139 -0.114 25067 4533 1 8 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.424 0.271 25067 4534 1 8 . 1 1 41 41 ALA H H 41 8.001 8.001 8.009 -0.008 25067 4535 1 8 . 1 1 42 42 GLU N N 42 117.330 117.330 118.624 -1.294 25067 4536 1 8 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.111 -0.175 25067 4537 1 8 . 1 1 42 42 GLU C C 42 179.452 179.452 179.186 0.266 25067 4538 1 8 . 1 1 42 42 GLU CA C 42 59.611 59.611 58.963 0.648 25067 4539 1 8 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.245 0.494 25067 4540 1 8 . 1 1 42 42 GLU H H 42 8.197 8.197 7.808 0.389 25067 4541 1 8 . 1 1 43 43 LYS N N 43 119.586 119.586 118.873 0.713 25067 4542 1 8 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.610 -0.412 25067 4543 1 8 . 1 1 43 43 LYS C C 43 179.595 179.595 179.082 0.513 25067 4544 1 8 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.746 1.023 25067 4545 1 8 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.270 -0.199 25067 4546 1 8 . 1 1 43 43 LYS H H 43 8.119 8.119 7.962 0.157 25067 4547 1 8 . 1 1 44 44 ALA N N 44 121.948 121.948 120.782 1.166 25067 4548 1 8 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.086 0.180 25067 4549 1 8 . 1 1 44 44 ALA C C 44 178.937 178.937 178.780 0.157 25067 4550 1 8 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.778 0.212 25067 4551 1 8 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.276 -0.475 25067 4552 1 8 . 1 1 44 44 ALA H H 44 8.396 8.396 8.230 0.166 25067 4553 1 8 . 1 1 45 45 ALA N N 45 118.814 118.814 120.850 -2.036 25067 4554 1 8 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.925 0.032 25067 4555 1 8 . 1 1 45 45 ALA C C 45 178.887 178.887 179.201 -0.314 25067 4556 1 8 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.728 0.840 25067 4557 1 8 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.124 -0.097 25067 4558 1 8 . 1 1 45 45 ALA H H 45 8.519 8.519 7.650 0.869 25067 4559 1 8 . 1 1 46 46 ASP N N 46 116.930 116.930 119.011 -2.081 25067 4560 1 8 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.349 0.050 25067 4561 1 8 . 1 1 46 46 ASP C C 46 178.020 178.020 178.700 -0.680 25067 4562 1 8 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.741 -0.101 25067 4563 1 8 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.446 1.390 25067 4564 1 8 . 1 1 46 46 ASP H H 46 7.852 7.852 8.285 -0.433 25067 4565 1 8 . 1 1 47 47 LYS N N 47 119.467 119.467 118.575 0.892 25067 4566 1 8 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.185 -0.092 25067 4567 1 8 . 1 1 47 47 LYS C C 47 178.924 178.924 178.873 0.051 25067 4568 1 8 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.458 1.214 25067 4569 1 8 . 1 1 47 47 LYS CB C 47 32.511 32.511 31.974 0.537 25067 4570 1 8 . 1 1 47 47 LYS H H 47 7.692 7.692 7.578 0.114 25067 4571 1 8 . 1 1 48 48 ILE N N 48 119.929 119.929 118.578 1.351 25067 4572 1 8 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.973 -0.233 25067 4573 1 8 . 1 1 48 48 ILE C C 48 179.025 179.025 177.805 1.220 25067 4574 1 8 . 1 1 48 48 ILE CA C 48 64.978 64.978 62.698 2.280 25067 4575 1 8 . 1 1 48 48 ILE CB C 48 38.292 38.292 36.813 1.479 25067 4576 1 8 . 1 1 48 48 ILE H H 48 8.585 8.585 7.565 1.020 25067 4577 1 8 . 1 1 49 49 LYS N N 49 119.534 119.534 119.190 0.344 25067 4578 1 8 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.084 -0.067 25067 4579 1 8 . 1 1 49 49 LYS C C 49 179.025 179.025 178.793 0.232 25067 4580 1 8 . 1 1 49 49 LYS CA C 49 59.647 59.647 57.688 1.959 25067 4581 1 8 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.269 0.332 25067 4582 1 8 . 1 1 49 49 LYS H H 49 8.353 8.353 7.949 0.404 25067 4583 1 8 . 1 1 50 50 LYS N N 50 117.423 117.423 117.965 -0.542 25067 4584 1 8 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.127 0.089 25067 4585 1 8 . 1 1 50 50 LYS C C 50 178.510 178.510 177.673 0.837 25067 4586 1 8 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.322 0.175 25067 4587 1 8 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.800 0.522 25067 4588 1 8 . 1 1 50 50 LYS H H 50 7.996 7.996 7.857 0.139 25067 4589 1 8 . 1 1 51 51 GLN N N 51 115.137 115.137 115.184 -0.047 25067 4590 1 8 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.378 0.103 25067 4591 1 8 . 1 1 51 51 GLN C C 51 177.292 177.292 175.382 1.910 25067 4592 1 8 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.995 0.012 25067 4593 1 8 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.223 -1.283 25067 4594 1 8 . 1 1 51 51 GLN H H 51 8.384 8.384 7.603 0.781 25067 4595 1 8 . 1 1 52 52 GLY N N 52 109.119 109.119 108.397 0.722 25067 4596 1 8 . 1 1 52 52 GLY C C 52 174.391 174.391 174.781 -0.390 25067 4597 1 8 . 1 1 52 52 GLY CA C 52 46.560 46.560 44.958 1.602 25067 4598 1 8 . 1 1 52 52 GLY H H 52 8.218 8.218 7.809 0.409 25067 4599 1 8 . 1 1 53 53 CYS N N 53 116.935 116.935 121.795 -4.860 25067 4600 1 8 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.084 0.401 25067 4601 1 8 . 1 1 53 53 CYS C C 53 173.989 173.989 175.307 -1.318 25067 4602 1 8 . 1 1 53 53 CYS CA C 53 58.148 58.148 61.132 -2.984 25067 4603 1 8 . 1 1 53 53 CYS CB C 53 28.714 28.714 28.593 0.121 25067 4604 1 8 . 1 1 53 53 CYS H H 53 7.623 7.623 7.968 -0.345 25067 4605 1 8 . 1 1 54 54 LYS N N 54 120.659 120.659 113.461 7.198 25067 4606 1 8 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.031 0.469 25067 4607 1 8 . 1 1 54 54 LYS C C 54 174.793 174.793 175.164 -0.371 25067 4608 1 8 . 1 1 54 54 LYS CA C 54 56.326 56.326 58.005 -1.679 25067 4609 1 8 . 1 1 54 54 LYS CB C 54 33.710 33.710 31.356 2.354 25067 4610 1 8 . 1 1 54 54 LYS H H 54 8.765 8.765 8.321 0.444 25067 4611 1 8 . 1 1 55 55 ARG N N 55 117.927 117.927 119.224 -1.297 25067 4612 1 8 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.929 0.514 25067 4613 1 8 . 1 1 55 55 ARG C C 55 174.517 174.517 173.795 0.722 25067 4614 1 8 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.270 -0.680 25067 4615 1 8 . 1 1 55 55 ARG CB C 55 33.616 33.616 33.054 0.562 25067 4616 1 8 . 1 1 55 55 ARG H H 55 7.603 7.603 7.750 -0.147 25067 4617 1 8 . 1 1 56 56 VAL N N 56 122.079 122.079 127.214 -5.135 25067 4618 1 8 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.613 0.212 25067 4619 1 8 . 1 1 56 56 VAL C C 56 173.311 173.311 174.399 -1.088 25067 4620 1 8 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.491 -0.206 25067 4621 1 8 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.014 0.916 25067 4622 1 8 . 1 1 56 56 VAL H H 56 8.853 8.853 8.913 -0.060 25067 4623 1 8 . 1 1 57 57 LYS N N 57 125.849 125.849 127.538 -1.689 25067 4624 1 8 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.637 0.967 25067 4625 1 8 . 1 1 57 57 LYS C C 57 174.881 174.881 174.905 -0.024 25067 4626 1 8 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.061 -0.323 25067 4627 1 8 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.111 1.824 25067 4628 1 8 . 1 1 57 57 LYS H H 57 8.819 8.819 8.943 -0.124 25067 4629 1 8 . 1 1 58 58 ILE N N 58 125.213 125.213 126.245 -1.032 25067 4630 1 8 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.217 0.950 25067 4631 1 8 . 1 1 58 58 ILE C C 58 174.981 174.981 174.404 0.577 25067 4632 1 8 . 1 1 58 58 ILE CA C 58 60.596 60.596 61.009 -0.413 25067 4633 1 8 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.593 2.266 25067 4634 1 8 . 1 1 58 58 ILE H H 58 9.204 9.204 8.473 0.731 25067 4635 1 8 . 1 1 59 59 ARG N N 59 124.047 124.047 127.676 -3.629 25067 4636 1 8 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.347 0.754 25067 4637 1 8 . 1 1 59 59 ARG C C 59 175.144 175.144 174.505 0.639 25067 4638 1 8 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.226 -0.135 25067 4639 1 8 . 1 1 59 59 ARG CB C 59 36.035 36.035 34.843 1.192 25067 4640 1 8 . 1 1 59 59 ARG H H 59 9.467 9.467 8.670 0.797 25067 4641 1 8 . 1 1 60 60 PHE N N 60 113.223 113.223 122.944 -9.721 25067 4642 1 8 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.944 0.260 25067 4643 1 8 . 1 1 60 60 PHE C C 60 173.110 173.110 172.942 0.168 25067 4644 1 8 . 1 1 60 60 PHE CA C 60 56.931 56.931 57.445 -0.514 25067 4645 1 8 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.590 -1.210 25067 4646 1 8 . 1 1 60 60 PHE H H 60 8.451 8.451 9.209 -0.758 25067 4647 1 8 . 1 1 61 61 GLU N N 61 121.333 121.333 125.809 -4.476 25067 4648 1 8 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.054 0.590 25067 4649 1 8 . 1 1 61 61 GLU C C 61 177.147 177.147 174.527 2.620 25067 4650 1 8 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.943 -0.978 25067 4651 1 8 . 1 1 61 61 GLU CB C 61 30.698 30.698 29.996 0.702 25067 4652 1 8 . 1 1 61 61 GLU H H 61 9.572 9.572 7.890 1.682 25067 4653 1 8 . 1 1 62 62 LYS N N 62 121.311 121.311 127.061 -5.750 25067 4654 1 8 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.434 -0.091 25067 4655 1 8 . 1 1 62 62 LYS C C 62 177.398 177.398 175.096 2.302 25067 4656 1 8 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.225 2.960 25067 4657 1 8 . 1 1 62 62 LYS CB C 62 32.937 32.937 32.401 0.536 25067 4658 1 8 . 1 1 62 62 LYS H H 62 8.160 8.160 8.492 -0.332 25067 4659 1 8 . 1 1 63 63 LYS N N 63 120.742 120.742 123.383 -2.641 25067 4660 1 8 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.334 -0.216 25067 4661 1 8 . 1 1 63 63 LYS C C 63 177.015 177.015 176.644 0.371 25067 4662 1 8 . 1 1 63 63 LYS CA C 63 58.693 58.693 57.151 1.542 25067 4663 1 8 . 1 1 63 63 LYS CB C 63 31.677 31.677 33.858 -2.181 25067 4664 1 8 . 1 1 63 63 LYS H H 63 8.028 8.028 8.218 -0.190 25067 4665 1 8 . 1 1 64 64 GLY C C 64 174.039 174.039 174.001 0.038 25067 4666 1 8 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.085 -0.222 25067 4667 1 8 . 1 1 65 65 LEU N N 65 119.849 119.849 115.916 3.933 25067 4668 1 8 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.790 -0.166 25067 4669 1 8 . 1 1 65 65 LEU C C 65 177.493 177.493 175.590 1.903 25067 4670 1 8 . 1 1 65 65 LEU CA C 65 54.128 54.128 52.870 1.258 25067 4671 1 8 . 1 1 65 65 LEU CB C 65 43.686 43.686 43.495 0.192 25067 4672 1 8 . 1 1 65 65 LEU H H 65 7.836 7.836 7.374 0.462 25067 4673 1 8 . 1 1 66 66 ASP N N 66 123.296 123.296 120.126 3.170 25067 4674 1 8 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.672 0.000 25067 4675 1 8 . 1 1 66 66 ASP C C 66 175.471 175.471 176.845 -1.374 25067 4676 1 8 . 1 1 66 66 ASP CA C 66 52.820 52.820 53.701 -0.881 25067 4677 1 8 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.870 -1.853 25067 4678 1 8 . 1 1 66 66 ASP H H 66 8.226 8.226 8.163 0.063 25067 4679 1 8 . 1 1 67 67 ASP N N 67 118.859 118.859 121.305 -2.446 25067 4680 1 8 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.365 -0.122 25067 4681 1 8 . 1 1 67 67 ASP C C 67 178.121 178.121 177.606 0.515 25067 4682 1 8 . 1 1 67 67 ASP CA C 67 58.473 58.473 56.596 1.877 25067 4683 1 8 . 1 1 67 67 ASP CB C 67 41.067 41.067 40.973 0.094 25067 4684 1 8 . 1 1 67 67 ASP H H 67 8.529 8.529 8.740 -0.211 25067 4685 1 8 . 1 1 68 68 ASP N N 68 119.187 119.187 120.054 -0.867 25067 4686 1 8 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.426 -0.086 25067 4687 1 8 . 1 1 68 68 ASP C C 68 177.807 177.807 178.264 -0.457 25067 4688 1 8 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.602 -0.121 25067 4689 1 8 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.839 0.620 25067 4690 1 8 . 1 1 68 68 ASP H H 68 8.244 8.244 8.221 0.023 25067 4691 1 8 . 1 1 69 69 ALA N N 69 122.537 122.537 121.935 0.602 25067 4692 1 8 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.387 -0.759 25067 4693 1 8 . 1 1 69 69 ALA C C 69 179.452 179.452 179.881 -0.429 25067 4694 1 8 . 1 1 69 69 ALA CA C 69 55.016 55.016 55.005 0.011 25067 4695 1 8 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.320 0.843 25067 4696 1 8 . 1 1 69 69 ALA H H 69 8.191 8.191 8.163 0.028 25067 4697 1 8 . 1 1 70 70 ARG N N 70 115.799 115.799 118.422 -2.623 25067 4698 1 8 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.989 -0.266 25067 4699 1 8 . 1 1 70 70 ARG C C 70 178.183 178.183 177.966 0.217 25067 4700 1 8 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.590 0.758 25067 4701 1 8 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.081 0.531 25067 4702 1 8 . 1 1 70 70 ARG H H 70 8.419 8.419 8.305 0.114 25067 4703 1 8 . 1 1 71 71 LYS N N 71 118.170 118.170 119.419 -1.249 25067 4704 1 8 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.989 -0.152 25067 4705 1 8 . 1 1 71 71 LYS C C 71 179.891 179.891 178.860 1.031 25067 4706 1 8 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.562 0.088 25067 4707 1 8 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.172 0.247 25067 4708 1 8 . 1 1 71 71 LYS H H 71 7.781 7.781 7.667 0.114 25067 4709 1 8 . 1 1 72 72 LYS N N 72 119.730 119.730 118.252 1.478 25067 4710 1 8 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.127 -0.391 25067 4711 1 8 . 1 1 72 72 LYS C C 72 178.874 178.874 178.960 -0.086 25067 4712 1 8 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.489 1.085 25067 4713 1 8 . 1 1 72 72 LYS CB C 72 32.393 32.393 32.069 0.324 25067 4714 1 8 . 1 1 72 72 LYS H H 72 7.835 7.835 7.833 0.002 25067 4715 1 8 . 1 1 73 73 ALA N N 73 123.068 123.068 121.600 1.468 25067 4716 1 8 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.592 0.163 25067 4717 1 8 . 1 1 73 73 ALA C C 73 178.246 178.246 179.189 -0.943 25067 4718 1 8 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.638 0.712 25067 4719 1 8 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.703 -0.057 25067 4720 1 8 . 1 1 73 73 ALA H H 73 8.343 8.343 7.825 0.517 25067 4721 1 8 . 1 1 74 74 LYS N N 74 117.936 117.936 117.845 0.091 25067 4722 1 8 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.868 -0.224 25067 4723 1 8 . 1 1 74 74 LYS C C 74 177.694 177.694 178.765 -1.071 25067 4724 1 8 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.176 1.145 25067 4725 1 8 . 1 1 74 74 LYS CB C 74 32.675 32.675 31.709 0.966 25067 4726 1 8 . 1 1 74 74 LYS H H 74 7.934 7.934 8.004 -0.070 25067 4727 1 8 . 1 1 75 75 LYS N N 75 116.863 116.863 119.973 -3.110 25067 4728 1 8 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.052 -0.073 25067 4729 1 8 . 1 1 75 75 LYS C C 75 178.884 178.884 178.703 0.181 25067 4730 1 8 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.541 -0.132 25067 4731 1 8 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.222 0.275 25067 4732 1 8 . 1 1 75 75 LYS H H 75 7.371 7.371 7.451 -0.080 25067 4733 1 8 . 1 1 76 76 TRP N N 76 121.108 121.108 121.345 -0.237 25067 4734 1 8 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.162 0.035 25067 4735 1 8 . 1 1 76 76 TRP C C 76 177.618 177.618 177.621 -0.003 25067 4736 1 8 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.185 0.541 25067 4737 1 8 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.091 0.902 25067 4738 1 8 . 1 1 76 76 TRP H H 76 8.156 8.156 7.932 0.224 25067 4739 1 8 . 1 1 77 77 ALA N N 77 120.099 120.099 120.635 -0.536 25067 4740 1 8 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.460 0.639 25067 4741 1 8 . 1 1 77 77 ALA C C 77 179.125 179.125 179.537 -0.412 25067 4742 1 8 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.750 0.898 25067 4743 1 8 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.373 -0.054 25067 4744 1 8 . 1 1 77 77 ALA H H 77 8.883 8.883 8.210 0.673 25067 4745 1 8 . 1 1 78 78 LEU N N 78 116.584 116.584 118.260 -1.676 25067 4746 1 8 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.950 0.181 25067 4747 1 8 . 1 1 78 78 LEU C C 78 179.828 179.828 179.246 0.582 25067 4748 1 8 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.546 0.297 25067 4749 1 8 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.688 0.010 25067 4750 1 8 . 1 1 78 78 LEU H H 78 8.238 8.238 7.663 0.575 25067 4751 1 8 . 1 1 79 79 GLU N N 79 121.435 121.435 119.689 1.746 25067 4752 1 8 . 1 1 79 79 GLU HA H 79 4.103 4.103 4.065 0.038 25067 4753 1 8 . 1 1 79 79 GLU C C 79 180.004 180.004 179.505 0.499 25067 4754 1 8 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.115 0.255 25067 4755 1 8 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.258 -0.136 25067 4756 1 8 . 1 1 79 79 GLU H H 79 8.296 8.296 7.943 0.353 25067 4757 1 8 . 1 1 80 80 VAL N N 80 122.863 122.863 119.442 3.421 25067 4758 1 8 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.596 -0.241 25067 4759 1 8 . 1 1 80 80 VAL C C 80 177.044 177.044 177.879 -0.835 25067 4760 1 8 . 1 1 80 80 VAL CA C 80 66.469 66.469 65.806 0.663 25067 4761 1 8 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.388 0.310 25067 4762 1 8 . 1 1 80 80 VAL H H 80 8.603 8.603 8.232 0.371 25067 4763 1 8 . 1 1 81 81 ALA N N 81 122.490 122.490 122.430 0.060 25067 4764 1 8 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.843 -0.110 25067 4765 1 8 . 1 1 81 81 ALA C C 81 178.529 178.529 179.750 -1.221 25067 4766 1 8 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.287 0.358 25067 4767 1 8 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.293 0.123 25067 4768 1 8 . 1 1 81 81 ALA H H 81 7.684 7.684 7.615 0.069 25067 4769 1 8 . 1 1 82 82 ASN N N 82 114.569 114.569 115.353 -0.784 25067 4770 1 8 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.436 -0.058 25067 4771 1 8 . 1 1 82 82 ASN C C 82 177.505 177.505 177.535 -0.030 25067 4772 1 8 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.544 0.659 25067 4773 1 8 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.588 0.246 25067 4774 1 8 . 1 1 82 82 ASN H H 82 7.752 7.752 8.235 -0.483 25067 4775 1 8 . 1 1 83 83 LYS N N 83 121.384 121.384 122.064 -0.680 25067 4776 1 8 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.102 -0.008 25067 4777 1 8 . 1 1 83 83 LYS C C 83 179.037 179.037 178.756 0.281 25067 4778 1 8 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.445 0.630 25067 4779 1 8 . 1 1 83 83 LYS CB C 83 32.148 32.148 32.113 0.035 25067 4780 1 8 . 1 1 83 83 LYS H H 83 8.343 8.343 7.677 0.666 25067 4781 1 8 . 1 1 84 84 ILE N N 84 120.298 120.298 118.834 1.464 25067 4782 1 8 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.721 -0.236 25067 4783 1 8 . 1 1 84 84 ILE C C 84 177.063 177.063 177.503 -0.440 25067 4784 1 8 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.142 1.046 25067 4785 1 8 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.911 0.477 25067 4786 1 8 . 1 1 84 84 ILE H H 84 8.496 8.496 8.047 0.449 25067 4787 1 8 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.923 -0.107 25067 4788 1 8 . 1 1 85 85 ALA C C 85 179.891 179.891 178.938 0.953 25067 4789 1 8 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.185 0.606 25067 4790 1 8 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.307 -0.259 25067 4791 1 8 . 1 1 85 85 ALA H H 85 7.768 7.768 7.852 -0.084 25067 4792 1 8 . 1 1 86 86 ASN N N 86 116.155 116.155 115.745 0.410 25067 4793 1 8 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.392 0.143 25067 4794 1 8 . 1 1 86 86 ASN C C 86 178.423 178.423 177.479 0.944 25067 4795 1 8 . 1 1 86 86 ASN CA C 86 56.106 56.106 56.012 0.094 25067 4796 1 8 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.327 0.457 25067 4797 1 8 . 1 1 86 86 ASN H H 86 8.355 8.355 8.126 0.229 25067 4798 1 8 . 1 1 87 87 GLU N N 87 120.806 120.806 120.375 0.431 25067 4799 1 8 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.087 0.089 25067 4800 1 8 . 1 1 87 87 GLU C C 87 178.381 178.381 178.188 0.193 25067 4801 1 8 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.740 0.169 25067 4802 1 8 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.664 -0.012 25067 4803 1 8 . 1 1 87 87 GLU H H 87 8.431 8.431 7.750 0.681 25067 4804 1 8 . 1 1 88 88 LEU N N 88 115.825 115.825 116.528 -0.703 25067 4805 1 8 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.515 -0.159 25067 4806 1 8 . 1 1 88 88 LEU C C 88 177.442 177.442 177.068 0.374 25067 4807 1 8 . 1 1 88 88 LEU CA C 88 54.577 54.577 54.516 0.061 25067 4808 1 8 . 1 1 88 88 LEU CB C 88 43.500 43.500 41.966 1.534 25067 4809 1 8 . 1 1 88 88 LEU H H 88 7.547 7.547 7.536 0.011 25067 4810 1 8 . 1 1 89 89 GLY N N 89 109.579 109.579 105.726 3.853 25067 4811 1 8 . 1 1 89 89 GLY C C 89 174.321 174.321 173.566 0.755 25067 4812 1 8 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.550 0.959 25067 4813 1 8 . 1 1 89 89 GLY H H 89 7.934 7.934 7.426 0.508 25067 4814 1 8 . 1 1 90 90 ALA N N 90 120.990 120.990 119.956 1.034 25067 4815 1 8 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.515 0.134 25067 4816 1 8 . 1 1 90 90 ALA C C 90 177.053 177.053 176.199 0.854 25067 4817 1 8 . 1 1 90 90 ALA CA C 90 51.074 51.074 50.646 0.428 25067 4818 1 8 . 1 1 90 90 ALA CB C 90 21.819 21.819 21.042 0.777 25067 4819 1 8 . 1 1 90 90 ALA H H 90 8.017 8.017 7.557 0.460 25067 4820 1 8 . 1 1 91 91 LYS N N 91 120.615 120.615 118.996 1.619 25067 4821 1 8 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.246 0.170 25067 4822 1 8 . 1 1 91 91 LYS C C 91 175.765 175.765 177.019 -1.254 25067 4823 1 8 . 1 1 91 91 LYS CA C 91 56.179 56.179 56.293 -0.114 25067 4824 1 8 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.337 -0.595 25067 4825 1 8 . 1 1 91 91 LYS H H 91 8.366 8.366 8.524 -0.158 25067 4826 1 8 . 1 1 92 92 GLN N N 92 119.273 119.273 120.735 -1.462 25067 4827 1 8 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.294 0.867 25067 4828 1 8 . 1 1 92 92 GLN C C 92 175.136 175.136 176.281 -1.145 25067 4829 1 8 . 1 1 92 92 GLN CA C 92 54.110 54.110 56.606 -2.496 25067 4830 1 8 . 1 1 92 92 GLN CB C 92 30.681 30.681 29.434 1.246 25067 4831 1 8 . 1 1 92 92 GLN H H 92 8.495 8.495 8.458 0.037 25067 4832 1 8 . 1 1 93 93 SER N N 93 117.003 117.003 113.892 3.111 25067 4833 1 8 . 1 1 93 93 SER HA H 93 4.781 4.781 4.805 -0.024 25067 4834 1 8 . 1 1 93 93 SER C C 93 173.735 173.735 174.380 -0.645 25067 4835 1 8 . 1 1 93 93 SER CA C 93 57.819 57.819 57.420 0.399 25067 4836 1 8 . 1 1 93 93 SER CB C 93 64.648 64.648 64.893 -0.245 25067 4837 1 8 . 1 1 93 93 SER H H 93 8.441 8.441 8.364 0.077 25067 4838 1 8 . 1 1 94 94 THR HA H 94 4.781 4.781 4.536 0.245 25067 4839 1 8 . 1 1 94 94 THR CA C 94 61.111 61.111 61.379 -0.268 25067 4840 1 8 . 1 1 94 94 THR CB C 94 71.032 71.032 70.326 0.706 25067 4841 1 8 . 1 1 95 95 THR N N 95 119.923 119.923 121.383 -1.460 25067 4842 1 8 . 1 1 95 95 THR HA H 95 5.098 5.098 4.512 0.586 25067 4843 1 8 . 1 1 95 95 THR CA C 95 60.438 60.438 60.112 0.326 25067 4844 1 8 . 1 1 95 95 THR CB C 95 70.780 70.780 70.462 0.318 25067 4845 1 8 . 1 1 95 95 THR H H 95 8.762 8.762 8.415 0.347 25067 4846 1 8 . 1 1 96 96 THR HA H 96 4.367 4.367 4.651 -0.284 25067 4847 1 8 . 1 1 96 96 THR CA C 96 61.740 61.740 61.648 0.092 25067 4848 1 8 . 1 1 96 96 THR CB C 96 70.992 70.992 70.662 0.330 25067 4849 1 8 . 1 1 97 97 THR N N 97 120.315 120.315 120.420 -0.105 25067 4850 1 8 . 1 1 97 97 THR HA H 97 5.363 5.363 4.708 0.655 25067 4851 1 8 . 1 1 97 97 THR CA C 97 61.379 61.379 62.734 -1.355 25067 4852 1 8 . 1 1 97 97 THR CB C 97 71.216 71.216 69.606 1.610 25067 4853 1 8 . 1 1 97 97 THR H H 97 8.999 8.999 8.580 0.419 25067 4854 1 8 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.401 0.791 25067 4855 1 8 . 1 1 98 98 ASP C C 98 175.672 175.672 176.181 -0.509 25067 4856 1 8 . 1 1 98 98 ASP CA C 98 52.593 52.593 55.386 -2.793 25067 4857 1 8 . 1 1 98 98 ASP CB C 98 41.735 41.735 41.036 0.699 25067 4858 1 8 . 1 1 99 99 GLY N N 99 111.919 111.919 108.821 3.098 25067 4859 1 8 . 1 1 99 99 GLY C C 99 174.049 174.049 173.512 0.537 25067 4860 1 8 . 1 1 99 99 GLY CA C 99 45.026 45.026 44.721 0.305 25067 4861 1 8 . 1 1 99 99 GLY H H 99 7.817 7.817 8.517 -0.700 25067 4862 1 8 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.235 0.319 25067 4863 1 8 . 1 1 100 100 ASP C C 100 177.518 177.518 174.926 2.592 25067 4864 1 8 . 1 1 100 100 ASP CA C 100 57.488 57.488 54.982 2.506 25067 4865 1 8 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.197 0.440 25067 4866 1 8 . 1 1 101 101 THR N N 101 112.835 112.835 113.240 -0.405 25067 4867 1 8 . 1 1 101 101 THR HA H 101 4.613 4.613 3.874 0.739 25067 4868 1 8 . 1 1 101 101 THR C C 101 173.003 173.003 173.612 -0.609 25067 4869 1 8 . 1 1 101 101 THR CA C 101 60.857 60.857 64.028 -3.171 25067 4870 1 8 . 1 1 101 101 THR CB C 101 70.589 70.589 69.005 1.584 25067 4871 1 8 . 1 1 101 101 THR H H 101 7.819 7.819 8.289 -0.470 25067 4872 1 8 . 1 1 102 102 PHE N N 102 126.633 126.633 124.371 2.262 25067 4873 1 8 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.639 0.252 25067 4874 1 8 . 1 1 102 102 PHE C C 102 173.286 173.286 173.837 -0.551 25067 4875 1 8 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.488 -0.315 25067 4876 1 8 . 1 1 102 102 PHE CB C 102 40.719 40.719 42.120 -1.401 25067 4877 1 8 . 1 1 102 102 PHE H H 102 8.581 8.581 8.342 0.239 25067 4878 1 8 . 1 1 103 103 GLU N N 103 125.528 125.528 127.618 -2.090 25067 4879 1 8 . 1 1 103 103 GLU HA H 103 5.237 5.237 4.974 0.263 25067 4880 1 8 . 1 1 103 103 GLU C C 103 173.851 173.851 174.141 -0.290 25067 4881 1 8 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.961 -0.901 25067 4882 1 8 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.857 0.461 25067 4883 1 8 . 1 1 103 103 GLU H H 103 7.986 7.986 7.964 0.022 25067 4884 1 8 . 1 1 104 104 VAL N N 104 124.582 124.582 126.822 -2.240 25067 4885 1 8 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.283 0.361 25067 4886 1 8 . 1 1 104 104 VAL C C 104 173.763 173.763 174.082 -0.319 25067 4887 1 8 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.069 -1.106 25067 4888 1 8 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.040 1.330 25067 4889 1 8 . 1 1 104 104 VAL H H 104 9.245 9.245 8.768 0.477 25067 4890 1 8 . 1 1 105 105 GLU N N 105 127.755 127.755 129.198 -1.443 25067 4891 1 8 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.563 0.689 25067 4892 1 8 . 1 1 105 105 GLU C C 105 174.572 174.572 174.895 -0.323 25067 4893 1 8 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.849 -0.490 25067 4894 1 8 . 1 1 105 105 GLU CB C 105 32.818 32.818 32.062 0.756 25067 4895 1 8 . 1 1 105 105 GLU H H 105 9.040 9.040 8.689 0.351 25067 4896 1 8 . 1 1 106 106 VAL N N 106 127.452 127.452 127.770 -0.318 25067 4897 1 8 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.145 0.623 25067 4898 1 8 . 1 1 106 106 VAL C C 106 174.692 174.692 174.499 0.193 25067 4899 1 8 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.862 -1.439 25067 4900 1 8 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.145 1.998 25067 4901 1 8 . 1 1 106 106 VAL H H 106 9.315 9.315 8.888 0.427 25067 4902 1 8 . 1 1 107 107 ILE N N 107 127.006 127.006 128.745 -1.739 25067 4903 1 8 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.445 0.172 25067 4904 1 8 . 1 1 107 107 ILE C C 107 176.187 176.187 175.468 0.719 25067 4905 1 8 . 1 1 107 107 ILE CA C 107 60.406 60.406 58.812 1.594 25067 4906 1 8 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.700 1.821 25067 4907 1 8 . 1 1 107 107 ILE H H 107 8.814 8.814 8.560 0.254 25067 4908 1 8 . 1 1 108 108 LEU N N 108 128.313 128.313 129.333 -1.020 25067 4909 1 8 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.443 0.314 25067 4910 1 8 . 1 1 108 108 LEU C C 108 176.058 176.058 176.406 -0.348 25067 4911 1 8 . 1 1 108 108 LEU CA C 108 54.124 54.124 54.172 -0.049 25067 4912 1 8 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.570 1.504 25067 4913 1 8 . 1 1 108 108 LEU H H 108 8.652 8.652 7.964 0.688 25067 4914 1 8 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.448 0.084 25067 4915 1 8 . 1 1 109 109 GLU C C 109 175.408 175.408 175.702 -0.294 25067 4916 1 8 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.850 -0.489 25067 4917 1 8 . 1 1 109 109 GLU CB C 109 30.647 30.647 30.195 0.452 25067 4918 1 8 . 1 1 110 110 LEU N N 110 125.467 125.467 125.755 -0.288 25067 4919 1 8 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.588 -0.187 25067 4920 1 8 . 1 1 110 110 LEU C C 110 176.854 176.854 177.437 -0.583 25067 4921 1 8 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.408 0.561 25067 4922 1 8 . 1 1 110 110 LEU CB C 110 42.515 42.515 41.682 0.833 25067 4923 1 8 . 1 1 110 110 LEU H H 110 8.402 8.402 8.797 -0.395 25067 4924 1 8 . 1 1 111 111 GLU N N 111 121.575 121.575 119.575 2.000 25067 4925 1 8 . 1 1 111 111 GLU HA H 111 4.261 4.261 3.949 0.312 25067 4926 1 8 . 1 1 111 111 GLU CA C 111 56.521 56.521 58.035 -1.514 25067 4927 1 8 . 1 1 111 111 GLU CB C 111 30.291 30.291 29.612 0.679 25067 4928 1 8 . 1 1 111 111 GLU H H 111 8.607 8.607 8.139 0.468 25067 4929 1 9 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.420 -0.300 25067 4930 1 9 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.096 0.065 25067 4931 1 9 . 1 1 2 2 ALA CB C 2 19.392 19.392 17.738 1.654 25067 4932 1 9 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.363 0.015 25067 4933 1 9 . 1 1 4 4 LYS C C 4 176.563 176.563 174.820 1.743 25067 4934 1 9 . 1 1 4 4 LYS CA C 4 56.384 56.384 55.586 0.798 25067 4935 1 9 . 1 1 4 4 LYS CB C 4 33.156 33.156 34.036 -0.880 25067 4936 1 9 . 1 1 5 5 GLU N N 5 122.511 122.511 121.842 0.669 25067 4937 1 9 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.308 0.069 25067 4938 1 9 . 1 1 5 5 GLU C C 5 176.099 176.099 175.451 0.648 25067 4939 1 9 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.192 0.192 25067 4940 1 9 . 1 1 5 5 GLU CB C 5 29.803 29.803 29.021 0.782 25067 4941 1 9 . 1 1 5 5 GLU H H 5 8.601 8.601 8.606 -0.005 25067 4942 1 9 . 1 1 6 6 LEU N N 6 124.063 124.063 127.004 -2.941 25067 4943 1 9 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.470 -0.071 25067 4944 1 9 . 1 1 6 6 LEU C C 6 175.082 175.082 176.588 -1.506 25067 4945 1 9 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.676 0.049 25067 4946 1 9 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.744 0.469 25067 4947 1 9 . 1 1 6 6 LEU H H 6 8.409 8.409 8.010 0.399 25067 4948 1 9 . 1 1 7 7 ARG N N 7 122.244 122.244 124.805 -2.561 25067 4949 1 9 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.277 0.168 25067 4950 1 9 . 1 1 7 7 ARG C C 7 174.768 174.768 175.302 -0.534 25067 4951 1 9 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.882 -1.192 25067 4952 1 9 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.523 1.567 25067 4953 1 9 . 1 1 7 7 ARG H H 7 8.016 8.016 8.426 -0.410 25067 4954 1 9 . 1 1 8 8 VAL N N 8 123.767 123.767 120.633 3.134 25067 4955 1 9 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.654 -0.362 25067 4956 1 9 . 1 1 8 8 VAL C C 8 173.562 173.562 174.247 -0.685 25067 4957 1 9 . 1 1 8 8 VAL CA C 8 60.842 60.842 60.229 0.613 25067 4958 1 9 . 1 1 8 8 VAL CB C 8 34.184 34.184 33.639 0.545 25067 4959 1 9 . 1 1 8 8 VAL H H 8 8.659 8.659 7.751 0.908 25067 4960 1 9 . 1 1 9 9 GLU N N 9 127.779 127.779 126.750 1.029 25067 4961 1 9 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.674 0.216 25067 4962 1 9 . 1 1 9 9 GLU C C 9 175.446 175.446 175.227 0.219 25067 4963 1 9 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.531 0.952 25067 4964 1 9 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.942 -0.192 25067 4965 1 9 . 1 1 9 9 GLU H H 9 8.513 8.513 8.154 0.359 25067 4966 1 9 . 1 1 10 10 ILE N N 10 127.770 127.770 127.368 0.402 25067 4967 1 9 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.482 0.418 25067 4968 1 9 . 1 1 10 10 ILE C C 10 174.981 174.981 174.890 0.091 25067 4969 1 9 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.602 -1.178 25067 4970 1 9 . 1 1 10 10 ILE CB C 10 38.645 38.645 36.857 1.788 25067 4971 1 9 . 1 1 10 10 ILE H H 10 9.199 9.199 8.099 1.100 25067 4972 1 9 . 1 1 11 11 LYS N N 11 125.866 125.866 129.682 -3.816 25067 4973 1 9 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.245 0.193 25067 4974 1 9 . 1 1 11 11 LYS C C 11 175.835 175.835 174.841 0.994 25067 4975 1 9 . 1 1 11 11 LYS CA C 11 54.817 54.817 53.673 1.144 25067 4976 1 9 . 1 1 11 11 LYS CB C 11 35.060 35.060 35.574 -0.514 25067 4977 1 9 . 1 1 11 11 LYS H H 11 9.257 9.257 9.040 0.217 25067 4978 1 9 . 1 1 12 12 ILE N N 12 121.799 121.799 126.444 -4.645 25067 4979 1 9 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.312 0.987 25067 4980 1 9 . 1 1 12 12 ILE C C 12 175.132 175.132 174.405 0.727 25067 4981 1 9 . 1 1 12 12 ILE CA C 12 59.134 59.134 59.042 0.092 25067 4982 1 9 . 1 1 12 12 ILE CB C 12 39.666 39.666 38.416 1.250 25067 4983 1 9 . 1 1 12 12 ILE H H 12 9.075 9.075 8.718 0.357 25067 4984 1 9 . 1 1 13 13 ASP N N 13 129.263 129.263 126.387 2.876 25067 4985 1 9 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.963 0.246 25067 4986 1 9 . 1 1 13 13 ASP C C 13 175.898 175.898 174.482 1.416 25067 4987 1 9 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.090 -0.359 25067 4988 1 9 . 1 1 13 13 ASP CB C 13 43.750 43.750 43.804 -0.054 25067 4989 1 9 . 1 1 13 13 ASP H H 13 9.415 9.415 8.189 1.226 25067 4990 1 9 . 1 1 14 14 CYS N N 14 122.767 122.767 122.758 0.009 25067 4991 1 9 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.668 0.264 25067 4992 1 9 . 1 1 14 14 CYS C C 14 174.228 174.228 174.790 -0.562 25067 4993 1 9 . 1 1 14 14 CYS CA C 14 58.269 58.269 56.852 1.417 25067 4994 1 9 . 1 1 14 14 CYS CB C 14 28.447 28.447 30.559 -2.112 25067 4995 1 9 . 1 1 14 14 CYS H H 14 9.274 9.274 8.720 0.554 25067 4996 1 9 . 1 1 15 15 GLY N N 15 110.606 110.606 110.723 -0.117 25067 4997 1 9 . 1 1 15 15 GLY C C 15 173.986 173.986 174.249 -0.263 25067 4998 1 9 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.643 0.249 25067 4999 1 9 . 1 1 15 15 GLY H H 15 8.919 8.919 8.679 0.240 25067 5000 1 9 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.256 0.540 25067 5001 1 9 . 1 1 16 16 ASN C C 16 175.157 175.157 174.157 1.000 25067 5002 1 9 . 1 1 16 16 ASN CA C 16 53.181 53.181 54.643 -1.462 25067 5003 1 9 . 1 1 16 16 ASN CB C 16 38.955 38.955 37.939 1.016 25067 5004 1 9 . 1 1 17 17 ASP N N 17 118.767 118.767 120.278 -1.511 25067 5005 1 9 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.682 -0.093 25067 5006 1 9 . 1 1 17 17 ASP C C 17 175.493 175.493 175.514 -0.021 25067 5007 1 9 . 1 1 17 17 ASP CA C 17 54.533 54.533 53.203 1.330 25067 5008 1 9 . 1 1 17 17 ASP CB C 17 40.992 40.992 40.536 0.456 25067 5009 1 9 . 1 1 17 17 ASP H H 17 8.409 8.409 8.055 0.354 25067 5010 1 9 . 1 1 18 18 ASP N N 18 119.912 119.912 125.959 -6.047 25067 5011 1 9 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.554 0.052 25067 5012 1 9 . 1 1 18 18 ASP C C 18 175.870 175.870 175.838 0.032 25067 5013 1 9 . 1 1 18 18 ASP CA C 18 54.242 54.242 55.105 -0.863 25067 5014 1 9 . 1 1 18 18 ASP CB C 18 41.116 41.116 39.718 1.398 25067 5015 1 9 . 1 1 18 18 ASP H H 18 8.291 8.291 8.116 0.175 25067 5016 1 9 . 1 1 19 19 LYS N N 19 120.828 120.828 123.989 -3.161 25067 5017 1 9 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.350 0.089 25067 5018 1 9 . 1 1 19 19 LYS C C 19 176.121 176.121 174.813 1.308 25067 5019 1 9 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.823 -0.177 25067 5020 1 9 . 1 1 19 19 LYS CB C 19 33.015 33.015 34.625 -1.610 25067 5021 1 9 . 1 1 19 19 LYS H H 19 8.140 8.140 7.800 0.340 25067 5022 1 9 . 1 1 20 20 GLU N N 20 123.292 123.292 125.397 -2.105 25067 5023 1 9 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.476 0.064 25067 5024 1 9 . 1 1 20 20 GLU C C 20 176.413 176.413 176.540 -0.127 25067 5025 1 9 . 1 1 20 20 GLU CA C 20 56.518 56.518 55.902 0.616 25067 5026 1 9 . 1 1 20 20 GLU CB C 20 30.543 30.543 30.070 0.473 25067 5027 1 9 . 1 1 20 20 GLU H H 20 8.645 8.645 8.477 0.168 25067 5028 1 9 . 1 1 21 21 THR N N 21 119.747 119.747 119.395 0.352 25067 5029 1 9 . 1 1 21 21 THR HA H 21 4.517 4.517 4.538 -0.021 25067 5030 1 9 . 1 1 21 21 THR C C 21 173.148 173.148 173.049 0.099 25067 5031 1 9 . 1 1 21 21 THR CA C 21 61.989 61.989 62.214 -0.225 25067 5032 1 9 . 1 1 21 21 THR CB C 21 70.485 70.485 70.149 0.336 25067 5033 1 9 . 1 1 21 21 THR H H 21 8.589 8.589 8.387 0.202 25067 5034 1 9 . 1 1 22 22 THR N N 22 119.539 119.539 117.448 2.091 25067 5035 1 9 . 1 1 22 22 THR HA H 22 5.342 5.342 5.429 -0.087 25067 5036 1 9 . 1 1 22 22 THR C C 22 173.148 173.148 173.991 -0.843 25067 5037 1 9 . 1 1 22 22 THR CA C 22 60.977 60.977 59.560 1.417 25067 5038 1 9 . 1 1 22 22 THR CB C 22 70.490 70.490 70.770 -0.281 25067 5039 1 9 . 1 1 22 22 THR H H 22 8.191 8.191 7.879 0.312 25067 5040 1 9 . 1 1 23 23 TYR N N 23 123.279 123.279 123.526 -0.247 25067 5041 1 9 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.596 0.058 25067 5042 1 9 . 1 1 23 23 TYR C C 23 173.400 173.400 174.985 -1.585 25067 5043 1 9 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.422 -0.440 25067 5044 1 9 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.175 2.143 25067 5045 1 9 . 1 1 23 23 TYR H H 23 9.268 9.268 8.559 0.709 25067 5046 1 9 . 1 1 24 24 ASP N N 24 121.837 121.837 124.014 -2.177 25067 5047 1 9 . 1 1 24 24 ASP HA H 24 4.844 4.844 4.810 0.034 25067 5048 1 9 . 1 1 24 24 ASP C C 24 173.400 173.400 175.586 -2.186 25067 5049 1 9 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.397 0.072 25067 5050 1 9 . 1 1 24 24 ASP CB C 24 41.941 41.941 42.137 -0.196 25067 5051 1 9 . 1 1 24 24 ASP H H 24 8.484 8.484 8.703 -0.219 25067 5052 1 9 . 1 1 25 25 LEU N N 25 126.268 126.268 121.662 4.606 25067 5053 1 9 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.775 -0.675 25067 5054 1 9 . 1 1 25 25 LEU C C 25 174.677 174.677 173.814 0.863 25067 5055 1 9 . 1 1 25 25 LEU CA C 25 52.733 52.733 54.283 -1.550 25067 5056 1 9 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.580 -1.954 25067 5057 1 9 . 1 1 25 25 LEU H H 25 8.619 8.619 7.759 0.860 25067 5058 1 9 . 1 1 26 26 TYR N N 26 123.695 123.695 118.224 5.471 25067 5059 1 9 . 1 1 26 26 TYR HA H 26 4.635 4.635 5.204 -0.569 25067 5060 1 9 . 1 1 26 26 TYR C C 26 176.833 176.833 175.564 1.269 25067 5061 1 9 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.639 -0.357 25067 5062 1 9 . 1 1 26 26 TYR CB C 26 38.143 38.143 40.381 -2.238 25067 5063 1 9 . 1 1 26 26 TYR H H 26 8.465 8.465 8.271 0.194 25067 5064 1 9 . 1 1 27 27 PHE N N 27 119.951 119.951 126.679 -6.728 25067 5065 1 9 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.445 0.341 25067 5066 1 9 . 1 1 27 27 PHE C C 27 176.205 176.205 175.152 1.053 25067 5067 1 9 . 1 1 27 27 PHE CA C 27 60.136 60.136 58.343 1.793 25067 5068 1 9 . 1 1 27 27 PHE CB C 27 38.455 38.455 38.232 0.223 25067 5069 1 9 . 1 1 27 27 PHE H H 27 7.991 7.991 9.128 -1.137 25067 5070 1 9 . 1 1 28 28 SER N N 28 114.987 114.987 121.441 -6.454 25067 5071 1 9 . 1 1 28 28 SER HA H 28 4.455 4.455 4.334 0.121 25067 5072 1 9 . 1 1 28 28 SER C C 28 174.517 174.517 173.714 0.803 25067 5073 1 9 . 1 1 28 28 SER CA C 28 59.489 59.489 59.613 -0.124 25067 5074 1 9 . 1 1 28 28 SER CB C 28 62.828 62.828 64.117 -1.289 25067 5075 1 9 . 1 1 28 28 SER H H 28 8.508 8.508 7.968 0.540 25067 5076 1 9 . 1 1 29 29 LYS N N 29 123.721 123.721 117.905 5.816 25067 5077 1 9 . 1 1 29 29 LYS HA H 29 4.653 4.653 3.977 0.676 25067 5078 1 9 . 1 1 29 29 LYS C C 29 175.954 175.954 174.901 1.053 25067 5079 1 9 . 1 1 29 29 LYS CA C 29 54.695 54.695 55.267 -0.573 25067 5080 1 9 . 1 1 29 29 LYS CB C 29 31.548 31.548 34.307 -2.759 25067 5081 1 9 . 1 1 29 29 LYS H H 29 7.723 7.723 7.143 0.580 25067 5082 1 9 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.395 -0.323 25067 5083 1 9 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.383 0.164 25067 5084 1 9 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.361 0.410 25067 5085 1 9 . 1 1 31 31 GLU N N 31 117.703 117.703 117.616 0.087 25067 5086 1 9 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.141 0.037 25067 5087 1 9 . 1 1 31 31 GLU C C 31 179.251 179.251 179.159 0.092 25067 5088 1 9 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.120 0.476 25067 5089 1 9 . 1 1 31 31 GLU CB C 31 28.599 28.599 28.547 0.052 25067 5090 1 9 . 1 1 31 31 GLU H H 31 9.034 9.034 8.795 0.239 25067 5091 1 9 . 1 1 32 32 GLU N N 32 121.084 121.084 119.493 1.591 25067 5092 1 9 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.118 0.067 25067 5093 1 9 . 1 1 32 32 GLU C C 32 179.251 179.251 178.776 0.475 25067 5094 1 9 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.620 0.597 25067 5095 1 9 . 1 1 32 32 GLU CB C 32 29.331 29.331 28.813 0.518 25067 5096 1 9 . 1 1 32 32 GLU H H 32 8.046 8.046 7.473 0.573 25067 5097 1 9 . 1 1 33 33 ALA N N 33 122.906 122.906 122.215 0.691 25067 5098 1 9 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.002 0.088 25067 5099 1 9 . 1 1 33 33 ALA C C 33 180.244 180.244 179.764 0.480 25067 5100 1 9 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.106 0.413 25067 5101 1 9 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.206 -0.238 25067 5102 1 9 . 1 1 33 33 ALA H H 33 8.383 8.383 8.116 0.267 25067 5103 1 9 . 1 1 34 34 LYS N N 34 119.560 119.560 118.416 1.144 25067 5104 1 9 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.096 0.094 25067 5105 1 9 . 1 1 34 34 LYS C C 34 179.198 179.198 178.428 0.770 25067 5106 1 9 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.850 -0.369 25067 5107 1 9 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.271 0.181 25067 5108 1 9 . 1 1 34 34 LYS H H 34 7.885 7.885 7.939 -0.054 25067 5109 1 9 . 1 1 35 35 GLU N N 35 121.053 121.053 119.808 1.245 25067 5110 1 9 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.159 0.022 25067 5111 1 9 . 1 1 35 35 GLU C C 35 179.288 179.288 179.051 0.237 25067 5112 1 9 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.151 0.240 25067 5113 1 9 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.703 -0.359 25067 5114 1 9 . 1 1 35 35 GLU H H 35 8.042 8.042 7.643 0.399 25067 5115 1 9 . 1 1 36 36 LEU N N 36 121.053 121.053 120.604 0.449 25067 5116 1 9 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.206 0.031 25067 5117 1 9 . 1 1 36 36 LEU C C 36 177.982 177.982 179.417 -1.435 25067 5118 1 9 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.425 0.312 25067 5119 1 9 . 1 1 36 36 LEU CB C 36 41.941 41.941 40.999 0.942 25067 5120 1 9 . 1 1 36 36 LEU H H 36 8.434 8.434 7.946 0.488 25067 5121 1 9 . 1 1 37 37 LEU N N 37 120.035 120.035 120.602 -0.567 25067 5122 1 9 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.764 -0.148 25067 5123 1 9 . 1 1 37 37 LEU C C 37 178.070 178.070 178.121 -0.051 25067 5124 1 9 . 1 1 37 37 LEU CA C 37 59.549 59.549 59.115 0.434 25067 5125 1 9 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.774 0.374 25067 5126 1 9 . 1 1 37 37 LEU H H 37 7.883 7.883 8.521 -0.638 25067 5127 1 9 . 1 1 38 38 LYS N N 38 116.604 116.604 117.721 -1.117 25067 5128 1 9 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.942 -0.146 25067 5129 1 9 . 1 1 38 38 LYS C C 38 178.246 178.246 178.942 -0.696 25067 5130 1 9 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.591 -0.076 25067 5131 1 9 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.135 0.460 25067 5132 1 9 . 1 1 38 38 LYS H H 38 7.102 7.102 7.486 -0.384 25067 5133 1 9 . 1 1 39 39 LYS N N 39 118.823 118.823 120.261 -1.438 25067 5134 1 9 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.007 0.148 25067 5135 1 9 . 1 1 39 39 LYS C C 39 179.464 179.464 179.099 0.365 25067 5136 1 9 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.574 -0.448 25067 5137 1 9 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.470 0.224 25067 5138 1 9 . 1 1 39 39 LYS H H 39 7.752 7.752 7.668 0.084 25067 5139 1 9 . 1 1 40 40 VAL N N 40 119.336 119.336 118.913 0.423 25067 5140 1 9 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.150 0.203 25067 5141 1 9 . 1 1 40 40 VAL C C 40 178.612 178.612 177.462 1.150 25067 5142 1 9 . 1 1 40 40 VAL CA C 40 66.336 66.336 65.915 0.421 25067 5143 1 9 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.065 0.087 25067 5144 1 9 . 1 1 40 40 VAL H H 40 8.925 8.925 7.896 1.029 25067 5145 1 9 . 1 1 41 41 ALA N N 41 120.709 120.709 122.439 -1.730 25067 5146 1 9 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.863 0.032 25067 5147 1 9 . 1 1 41 41 ALA C C 41 179.163 179.163 179.377 -0.214 25067 5148 1 9 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.238 -0.213 25067 5149 1 9 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.215 0.480 25067 5150 1 9 . 1 1 41 41 ALA H H 41 8.001 8.001 7.681 0.320 25067 5151 1 9 . 1 1 42 42 GLU N N 42 117.330 117.330 117.565 -0.235 25067 5152 1 9 . 1 1 42 42 GLU HA H 42 3.936 3.936 3.956 -0.020 25067 5153 1 9 . 1 1 42 42 GLU C C 42 179.452 179.452 179.043 0.409 25067 5154 1 9 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.059 0.551 25067 5155 1 9 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.292 0.447 25067 5156 1 9 . 1 1 42 42 GLU H H 42 8.197 8.197 8.026 0.171 25067 5157 1 9 . 1 1 43 43 LYS N N 43 119.586 119.586 119.492 0.094 25067 5158 1 9 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.192 0.006 25067 5159 1 9 . 1 1 43 43 LYS C C 43 179.595 179.595 178.968 0.627 25067 5160 1 9 . 1 1 43 43 LYS CA C 43 58.769 58.769 58.720 0.049 25067 5161 1 9 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.547 -0.476 25067 5162 1 9 . 1 1 43 43 LYS H H 43 8.119 8.119 7.721 0.398 25067 5163 1 9 . 1 1 44 44 ALA N N 44 121.948 121.948 121.981 -0.033 25067 5164 1 9 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.411 -0.145 25067 5165 1 9 . 1 1 44 44 ALA C C 44 178.937 178.937 179.256 -0.319 25067 5166 1 9 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.564 0.426 25067 5167 1 9 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.526 -0.725 25067 5168 1 9 . 1 1 44 44 ALA H H 44 8.396 8.396 8.037 0.359 25067 5169 1 9 . 1 1 45 45 ALA N N 45 118.814 118.814 120.397 -1.583 25067 5170 1 9 . 1 1 45 45 ALA HA H 45 3.957 3.957 4.009 -0.052 25067 5171 1 9 . 1 1 45 45 ALA C C 45 178.887 178.887 179.064 -0.177 25067 5172 1 9 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.721 0.847 25067 5173 1 9 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.414 -0.387 25067 5174 1 9 . 1 1 45 45 ALA H H 45 8.519 8.519 7.874 0.645 25067 5175 1 9 . 1 1 46 46 ASP N N 46 116.930 116.930 118.234 -1.304 25067 5176 1 9 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.381 0.018 25067 5177 1 9 . 1 1 46 46 ASP C C 46 178.020 178.020 178.326 -0.306 25067 5178 1 9 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.149 0.491 25067 5179 1 9 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.934 0.902 25067 5180 1 9 . 1 1 46 46 ASP H H 46 7.852 7.852 7.786 0.066 25067 5181 1 9 . 1 1 47 47 LYS N N 47 119.467 119.467 118.591 0.876 25067 5182 1 9 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.063 0.030 25067 5183 1 9 . 1 1 47 47 LYS C C 47 178.924 178.924 179.085 -0.161 25067 5184 1 9 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.624 1.048 25067 5185 1 9 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.067 0.444 25067 5186 1 9 . 1 1 47 47 LYS H H 47 7.692 7.692 7.628 0.064 25067 5187 1 9 . 1 1 48 48 ILE N N 48 119.929 119.929 118.512 1.417 25067 5188 1 9 . 1 1 48 48 ILE HA H 48 3.740 3.740 4.175 -0.435 25067 5189 1 9 . 1 1 48 48 ILE C C 48 179.025 179.025 177.790 1.235 25067 5190 1 9 . 1 1 48 48 ILE CA C 48 64.978 64.978 63.806 1.172 25067 5191 1 9 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.804 0.488 25067 5192 1 9 . 1 1 48 48 ILE H H 48 8.585 8.585 7.308 1.277 25067 5193 1 9 . 1 1 49 49 LYS N N 49 119.534 119.534 119.332 0.202 25067 5194 1 9 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.078 -0.061 25067 5195 1 9 . 1 1 49 49 LYS C C 49 179.025 179.025 178.131 0.894 25067 5196 1 9 . 1 1 49 49 LYS CA C 49 59.647 59.647 59.050 0.597 25067 5197 1 9 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.435 0.166 25067 5198 1 9 . 1 1 49 49 LYS H H 49 8.353 8.353 7.990 0.363 25067 5199 1 9 . 1 1 50 50 LYS N N 50 117.423 117.423 117.179 0.244 25067 5200 1 9 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.195 0.021 25067 5201 1 9 . 1 1 50 50 LYS C C 50 178.510 178.510 177.077 1.433 25067 5202 1 9 . 1 1 50 50 LYS CA C 50 58.497 58.497 57.407 1.090 25067 5203 1 9 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.378 -0.056 25067 5204 1 9 . 1 1 50 50 LYS H H 50 7.996 7.996 7.646 0.350 25067 5205 1 9 . 1 1 51 51 GLN N N 51 115.137 115.137 117.399 -2.262 25067 5206 1 9 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.405 0.076 25067 5207 1 9 . 1 1 51 51 GLN C C 51 177.292 177.292 174.331 2.961 25067 5208 1 9 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.301 0.706 25067 5209 1 9 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.743 -1.803 25067 5210 1 9 . 1 1 51 51 GLN H H 51 8.384 8.384 7.522 0.862 25067 5211 1 9 . 1 1 52 52 GLY N N 52 109.119 109.119 112.134 -3.015 25067 5212 1 9 . 1 1 52 52 GLY C C 52 174.391 174.391 174.564 -0.173 25067 5213 1 9 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.813 0.747 25067 5214 1 9 . 1 1 52 52 GLY H H 52 8.218 8.218 8.845 -0.627 25067 5215 1 9 . 1 1 53 53 CYS N N 53 116.935 116.935 125.080 -8.145 25067 5216 1 9 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.336 0.149 25067 5217 1 9 . 1 1 53 53 CYS C C 53 173.989 173.989 175.294 -1.305 25067 5218 1 9 . 1 1 53 53 CYS CA C 53 58.148 58.148 58.233 -0.086 25067 5219 1 9 . 1 1 53 53 CYS CB C 53 28.714 28.714 26.023 2.691 25067 5220 1 9 . 1 1 53 53 CYS H H 53 7.623 7.623 8.011 -0.388 25067 5221 1 9 . 1 1 54 54 LYS N N 54 120.659 120.659 119.671 0.988 25067 5222 1 9 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.233 0.267 25067 5223 1 9 . 1 1 54 54 LYS C C 54 174.793 174.793 175.971 -1.178 25067 5224 1 9 . 1 1 54 54 LYS CA C 54 56.326 56.326 56.446 -0.120 25067 5225 1 9 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.172 1.538 25067 5226 1 9 . 1 1 54 54 LYS H H 54 8.765 8.765 7.725 1.040 25067 5227 1 9 . 1 1 55 55 ARG N N 55 117.927 117.927 121.004 -3.077 25067 5228 1 9 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.648 0.795 25067 5229 1 9 . 1 1 55 55 ARG C C 55 174.517 174.517 173.444 1.073 25067 5230 1 9 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.495 -0.906 25067 5231 1 9 . 1 1 55 55 ARG CB C 55 33.616 33.616 33.186 0.430 25067 5232 1 9 . 1 1 55 55 ARG H H 55 7.603 7.603 7.253 0.350 25067 5233 1 9 . 1 1 56 56 VAL N N 56 122.079 122.079 126.470 -4.391 25067 5234 1 9 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.387 0.438 25067 5235 1 9 . 1 1 56 56 VAL C C 56 173.311 173.311 174.754 -1.443 25067 5236 1 9 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.566 -0.281 25067 5237 1 9 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.404 0.526 25067 5238 1 9 . 1 1 56 56 VAL H H 56 8.853 8.853 8.925 -0.072 25067 5239 1 9 . 1 1 57 57 LYS N N 57 125.849 125.849 126.225 -0.376 25067 5240 1 9 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.665 0.939 25067 5241 1 9 . 1 1 57 57 LYS C C 57 174.881 174.881 174.791 0.090 25067 5242 1 9 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.304 -0.566 25067 5243 1 9 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.532 1.403 25067 5244 1 9 . 1 1 57 57 LYS H H 57 8.819 8.819 8.931 -0.112 25067 5245 1 9 . 1 1 58 58 ILE N N 58 125.213 125.213 125.960 -0.747 25067 5246 1 9 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.380 0.787 25067 5247 1 9 . 1 1 58 58 ILE C C 58 174.981 174.981 174.705 0.276 25067 5248 1 9 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.967 -0.371 25067 5249 1 9 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.809 2.050 25067 5250 1 9 . 1 1 58 58 ILE H H 58 9.204 9.204 8.708 0.496 25067 5251 1 9 . 1 1 59 59 ARG N N 59 124.047 124.047 126.072 -2.025 25067 5252 1 9 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.372 0.729 25067 5253 1 9 . 1 1 59 59 ARG C C 59 175.144 175.144 175.049 0.095 25067 5254 1 9 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.214 -0.123 25067 5255 1 9 . 1 1 59 59 ARG CB C 59 36.035 36.035 34.599 1.436 25067 5256 1 9 . 1 1 59 59 ARG H H 59 9.467 9.467 8.660 0.807 25067 5257 1 9 . 1 1 60 60 PHE N N 60 113.223 113.223 122.158 -8.935 25067 5258 1 9 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.882 0.322 25067 5259 1 9 . 1 1 60 60 PHE C C 60 173.110 173.110 172.939 0.171 25067 5260 1 9 . 1 1 60 60 PHE CA C 60 56.931 56.931 57.065 -0.134 25067 5261 1 9 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.871 -1.492 25067 5262 1 9 . 1 1 60 60 PHE H H 60 8.451 8.451 9.023 -0.572 25067 5263 1 9 . 1 1 61 61 GLU N N 61 121.333 121.333 126.853 -5.520 25067 5264 1 9 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.321 0.323 25067 5265 1 9 . 1 1 61 61 GLU C C 61 177.147 177.147 174.382 2.765 25067 5266 1 9 . 1 1 61 61 GLU CA C 61 55.965 55.965 55.510 0.455 25067 5267 1 9 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.793 -0.095 25067 5268 1 9 . 1 1 61 61 GLU H H 61 9.572 9.572 8.204 1.367 25067 5269 1 9 . 1 1 62 62 LYS N N 62 121.311 121.311 123.638 -2.327 25067 5270 1 9 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.381 -0.038 25067 5271 1 9 . 1 1 62 62 LYS C C 62 177.398 177.398 174.016 3.382 25067 5272 1 9 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.577 2.608 25067 5273 1 9 . 1 1 62 62 LYS CB C 62 32.937 32.937 33.705 -0.768 25067 5274 1 9 . 1 1 62 62 LYS H H 62 8.160 8.160 7.971 0.189 25067 5275 1 9 . 1 1 63 63 LYS N N 63 120.742 120.742 120.494 0.248 25067 5276 1 9 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.865 -0.747 25067 5277 1 9 . 1 1 63 63 LYS C C 63 177.015 177.015 176.663 0.352 25067 5278 1 9 . 1 1 63 63 LYS CA C 63 58.693 58.693 56.200 2.493 25067 5279 1 9 . 1 1 63 63 LYS CB C 63 31.677 31.677 34.156 -2.479 25067 5280 1 9 . 1 1 63 63 LYS H H 63 8.028 8.028 8.237 -0.209 25067 5281 1 9 . 1 1 64 64 GLY C C 64 174.039 174.039 173.992 0.047 25067 5282 1 9 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.950 -0.087 25067 5283 1 9 . 1 1 65 65 LEU N N 65 119.849 119.849 120.875 -1.026 25067 5284 1 9 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.794 -0.170 25067 5285 1 9 . 1 1 65 65 LEU C C 65 177.493 177.493 175.626 1.867 25067 5286 1 9 . 1 1 65 65 LEU CA C 65 54.128 54.128 53.519 0.609 25067 5287 1 9 . 1 1 65 65 LEU CB C 65 43.686 43.686 43.993 -0.307 25067 5288 1 9 . 1 1 65 65 LEU H H 65 7.836 7.836 7.867 -0.031 25067 5289 1 9 . 1 1 66 66 ASP N N 66 123.296 123.296 121.061 2.235 25067 5290 1 9 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.576 0.096 25067 5291 1 9 . 1 1 66 66 ASP C C 66 175.471 175.471 177.030 -1.559 25067 5292 1 9 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.123 -1.303 25067 5293 1 9 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.778 -1.761 25067 5294 1 9 . 1 1 66 66 ASP H H 66 8.226 8.226 8.388 -0.162 25067 5295 1 9 . 1 1 67 67 ASP N N 67 118.859 118.859 124.241 -5.382 25067 5296 1 9 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.264 -0.021 25067 5297 1 9 . 1 1 67 67 ASP C C 67 178.121 178.121 177.673 0.448 25067 5298 1 9 . 1 1 67 67 ASP CA C 67 58.473 58.473 56.956 1.517 25067 5299 1 9 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.171 -0.104 25067 5300 1 9 . 1 1 67 67 ASP H H 67 8.529 8.529 8.773 -0.244 25067 5301 1 9 . 1 1 68 68 ASP N N 68 119.187 119.187 119.205 -0.018 25067 5302 1 9 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.441 -0.101 25067 5303 1 9 . 1 1 68 68 ASP C C 68 177.807 177.807 177.771 0.036 25067 5304 1 9 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.205 0.276 25067 5305 1 9 . 1 1 68 68 ASP CB C 68 41.459 41.459 41.027 0.432 25067 5306 1 9 . 1 1 68 68 ASP H H 68 8.244 8.244 8.097 0.147 25067 5307 1 9 . 1 1 69 69 ALA N N 69 122.537 122.537 122.113 0.424 25067 5308 1 9 . 1 1 69 69 ALA HA H 69 3.628 3.628 3.778 -0.150 25067 5309 1 9 . 1 1 69 69 ALA C C 69 179.452 179.452 179.407 0.045 25067 5310 1 9 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.911 0.105 25067 5311 1 9 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.413 0.750 25067 5312 1 9 . 1 1 69 69 ALA H H 69 8.191 8.191 7.747 0.444 25067 5313 1 9 . 1 1 70 70 ARG N N 70 115.799 115.799 118.752 -2.953 25067 5314 1 9 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.943 -0.220 25067 5315 1 9 . 1 1 70 70 ARG C C 70 178.183 178.183 177.975 0.208 25067 5316 1 9 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.263 1.085 25067 5317 1 9 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.150 0.462 25067 5318 1 9 . 1 1 70 70 ARG H H 70 8.419 8.419 8.025 0.394 25067 5319 1 9 . 1 1 71 71 LYS N N 71 118.170 118.170 119.457 -1.287 25067 5320 1 9 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.929 -0.092 25067 5321 1 9 . 1 1 71 71 LYS C C 71 179.891 179.891 179.038 0.853 25067 5322 1 9 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.473 0.177 25067 5323 1 9 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.180 0.239 25067 5324 1 9 . 1 1 71 71 LYS H H 71 7.781 7.781 7.854 -0.073 25067 5325 1 9 . 1 1 72 72 LYS N N 72 119.730 119.730 118.355 1.375 25067 5326 1 9 . 1 1 72 72 LYS HA H 72 3.736 3.736 3.968 -0.232 25067 5327 1 9 . 1 1 72 72 LYS C C 72 178.874 178.874 178.745 0.129 25067 5328 1 9 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.651 0.922 25067 5329 1 9 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.679 0.714 25067 5330 1 9 . 1 1 72 72 LYS H H 72 7.835 7.835 8.024 -0.189 25067 5331 1 9 . 1 1 73 73 ALA N N 73 123.068 123.068 120.801 2.267 25067 5332 1 9 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.705 0.050 25067 5333 1 9 . 1 1 73 73 ALA C C 73 178.246 178.246 179.401 -1.155 25067 5334 1 9 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.528 0.822 25067 5335 1 9 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.496 0.150 25067 5336 1 9 . 1 1 73 73 ALA H H 73 8.343 8.343 7.258 1.085 25067 5337 1 9 . 1 1 74 74 LYS N N 74 117.936 117.936 118.726 -0.790 25067 5338 1 9 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.243 0.401 25067 5339 1 9 . 1 1 74 74 LYS C C 74 177.694 177.694 178.591 -0.897 25067 5340 1 9 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.194 1.127 25067 5341 1 9 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.135 0.540 25067 5342 1 9 . 1 1 74 74 LYS H H 74 7.934 7.934 7.638 0.296 25067 5343 1 9 . 1 1 75 75 LYS N N 75 116.863 116.863 119.021 -2.158 25067 5344 1 9 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.082 -0.103 25067 5345 1 9 . 1 1 75 75 LYS C C 75 178.884 178.884 178.510 0.374 25067 5346 1 9 . 1 1 75 75 LYS CA C 75 59.409 59.409 58.927 0.482 25067 5347 1 9 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.427 0.070 25067 5348 1 9 . 1 1 75 75 LYS H H 75 7.371 7.371 7.390 -0.019 25067 5349 1 9 . 1 1 76 76 TRP N N 76 121.108 121.108 122.187 -1.079 25067 5350 1 9 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.378 -0.181 25067 5351 1 9 . 1 1 76 76 TRP C C 76 177.618 177.618 177.800 -0.182 25067 5352 1 9 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.424 0.302 25067 5353 1 9 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.062 0.930 25067 5354 1 9 . 1 1 76 76 TRP H H 76 8.156 8.156 8.242 -0.086 25067 5355 1 9 . 1 1 77 77 ALA N N 77 120.099 120.099 120.480 -0.381 25067 5356 1 9 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.787 0.312 25067 5357 1 9 . 1 1 77 77 ALA C C 77 179.125 179.125 179.812 -0.687 25067 5358 1 9 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.050 0.598 25067 5359 1 9 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.221 0.098 25067 5360 1 9 . 1 1 77 77 ALA H H 77 8.883 8.883 7.820 1.063 25067 5361 1 9 . 1 1 78 78 LEU N N 78 116.584 116.584 118.411 -1.827 25067 5362 1 9 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.873 0.258 25067 5363 1 9 . 1 1 78 78 LEU C C 78 179.828 179.828 179.155 0.673 25067 5364 1 9 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.841 0.002 25067 5365 1 9 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.649 0.049 25067 5366 1 9 . 1 1 78 78 LEU H H 78 8.238 8.238 7.533 0.705 25067 5367 1 9 . 1 1 79 79 GLU N N 79 121.435 121.435 119.709 1.726 25067 5368 1 9 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.915 0.188 25067 5369 1 9 . 1 1 79 79 GLU C C 79 180.004 180.004 179.257 0.747 25067 5370 1 9 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.452 -0.082 25067 5371 1 9 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.506 -0.384 25067 5372 1 9 . 1 1 79 79 GLU H H 79 8.296 8.296 7.954 0.342 25067 5373 1 9 . 1 1 80 80 VAL N N 80 122.863 122.863 119.824 3.039 25067 5374 1 9 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.384 -0.029 25067 5375 1 9 . 1 1 80 80 VAL C C 80 177.044 177.044 177.662 -0.618 25067 5376 1 9 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.720 -0.251 25067 5377 1 9 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.911 -0.213 25067 5378 1 9 . 1 1 80 80 VAL H H 80 8.603 8.603 7.771 0.832 25067 5379 1 9 . 1 1 81 81 ALA N N 81 122.490 122.490 121.389 1.101 25067 5380 1 9 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.835 -0.102 25067 5381 1 9 . 1 1 81 81 ALA C C 81 178.529 178.529 179.809 -1.280 25067 5382 1 9 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.321 0.324 25067 5383 1 9 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.066 0.349 25067 5384 1 9 . 1 1 81 81 ALA H H 81 7.684 7.684 7.768 -0.084 25067 5385 1 9 . 1 1 82 82 ASN N N 82 114.569 114.569 115.076 -0.507 25067 5386 1 9 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.433 -0.055 25067 5387 1 9 . 1 1 82 82 ASN C C 82 177.505 177.505 177.485 0.020 25067 5388 1 9 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.742 0.461 25067 5389 1 9 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.333 0.501 25067 5390 1 9 . 1 1 82 82 ASN H H 82 7.752 7.752 7.948 -0.196 25067 5391 1 9 . 1 1 83 83 LYS N N 83 121.384 121.384 121.408 -0.024 25067 5392 1 9 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.040 0.054 25067 5393 1 9 . 1 1 83 83 LYS C C 83 179.037 179.037 178.590 0.447 25067 5394 1 9 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.516 0.560 25067 5395 1 9 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.924 0.224 25067 5396 1 9 . 1 1 83 83 LYS H H 83 8.343 8.343 7.548 0.795 25067 5397 1 9 . 1 1 84 84 ILE N N 84 120.298 120.298 118.513 1.785 25067 5398 1 9 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.674 -0.189 25067 5399 1 9 . 1 1 84 84 ILE C C 84 177.063 177.063 177.863 -0.800 25067 5400 1 9 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.145 1.043 25067 5401 1 9 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.668 0.720 25067 5402 1 9 . 1 1 84 84 ILE H H 84 8.496 8.496 7.707 0.789 25067 5403 1 9 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.877 -0.061 25067 5404 1 9 . 1 1 85 85 ALA C C 85 179.891 179.891 179.222 0.669 25067 5405 1 9 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.114 0.677 25067 5406 1 9 . 1 1 85 85 ALA CB C 85 18.048 18.048 17.930 0.118 25067 5407 1 9 . 1 1 85 85 ALA H H 85 7.768 7.768 7.812 -0.044 25067 5408 1 9 . 1 1 86 86 ASN N N 86 116.155 116.155 115.620 0.535 25067 5409 1 9 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.411 0.124 25067 5410 1 9 . 1 1 86 86 ASN C C 86 178.423 178.423 177.304 1.119 25067 5411 1 9 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.615 0.491 25067 5412 1 9 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.614 0.170 25067 5413 1 9 . 1 1 86 86 ASN H H 86 8.355 8.355 7.689 0.666 25067 5414 1 9 . 1 1 87 87 GLU N N 87 120.806 120.806 118.475 2.331 25067 5415 1 9 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.098 0.078 25067 5416 1 9 . 1 1 87 87 GLU C C 87 178.381 178.381 177.750 0.631 25067 5417 1 9 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.490 0.419 25067 5418 1 9 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.813 -0.161 25067 5419 1 9 . 1 1 87 87 GLU H H 87 8.431 8.431 7.722 0.709 25067 5420 1 9 . 1 1 88 88 LEU N N 88 115.825 115.825 115.488 0.337 25067 5421 1 9 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.561 -0.205 25067 5422 1 9 . 1 1 88 88 LEU C C 88 177.442 177.442 176.668 0.774 25067 5423 1 9 . 1 1 88 88 LEU CA C 88 54.577 54.577 54.660 -0.083 25067 5424 1 9 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.929 0.571 25067 5425 1 9 . 1 1 88 88 LEU H H 88 7.547 7.547 7.530 0.017 25067 5426 1 9 . 1 1 89 89 GLY N N 89 109.579 109.579 106.263 3.316 25067 5427 1 9 . 1 1 89 89 GLY C C 89 174.321 174.321 173.251 1.070 25067 5428 1 9 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.246 1.262 25067 5429 1 9 . 1 1 89 89 GLY H H 89 7.934 7.934 7.642 0.292 25067 5430 1 9 . 1 1 90 90 ALA N N 90 120.990 120.990 123.411 -2.421 25067 5431 1 9 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.600 0.049 25067 5432 1 9 . 1 1 90 90 ALA C C 90 177.053 177.053 175.515 1.538 25067 5433 1 9 . 1 1 90 90 ALA CA C 90 51.074 51.074 50.774 0.300 25067 5434 1 9 . 1 1 90 90 ALA CB C 90 21.819 21.819 21.486 0.333 25067 5435 1 9 . 1 1 90 90 ALA H H 90 8.017 8.017 7.893 0.124 25067 5436 1 9 . 1 1 91 91 LYS N N 91 120.615 120.615 119.051 1.564 25067 5437 1 9 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.508 -0.092 25067 5438 1 9 . 1 1 91 91 LYS C C 91 175.765 175.765 176.475 -0.710 25067 5439 1 9 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.386 0.793 25067 5440 1 9 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.131 -0.389 25067 5441 1 9 . 1 1 91 91 LYS H H 91 8.366 8.366 8.099 0.267 25067 5442 1 9 . 1 1 92 92 GLN N N 92 119.273 119.273 118.082 1.191 25067 5443 1 9 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.548 0.613 25067 5444 1 9 . 1 1 92 92 GLN C C 92 175.136 175.136 175.714 -0.578 25067 5445 1 9 . 1 1 92 92 GLN CA C 92 54.110 54.110 54.941 -0.830 25067 5446 1 9 . 1 1 92 92 GLN CB C 92 30.681 30.681 30.541 0.140 25067 5447 1 9 . 1 1 92 92 GLN H H 92 8.495 8.495 8.449 0.046 25067 5448 1 9 . 1 1 93 93 SER N N 93 117.003 117.003 114.265 2.738 25067 5449 1 9 . 1 1 93 93 SER HA H 93 4.781 4.781 4.752 0.029 25067 5450 1 9 . 1 1 93 93 SER C C 93 173.735 173.735 174.302 -0.567 25067 5451 1 9 . 1 1 93 93 SER CA C 93 57.819 57.819 57.364 0.456 25067 5452 1 9 . 1 1 93 93 SER CB C 93 64.648 64.648 64.956 -0.308 25067 5453 1 9 . 1 1 93 93 SER H H 93 8.441 8.441 8.367 0.074 25067 5454 1 9 . 1 1 94 94 THR HA H 94 4.781 4.781 4.493 0.288 25067 5455 1 9 . 1 1 94 94 THR CA C 94 61.111 61.111 61.203 -0.092 25067 5456 1 9 . 1 1 94 94 THR CB C 94 71.032 71.032 69.401 1.631 25067 5457 1 9 . 1 1 95 95 THR N N 95 119.923 119.923 123.109 -3.186 25067 5458 1 9 . 1 1 95 95 THR HA H 95 5.098 5.098 4.522 0.576 25067 5459 1 9 . 1 1 95 95 THR CA C 95 60.438 60.438 60.112 0.326 25067 5460 1 9 . 1 1 95 95 THR CB C 95 70.780 70.780 69.672 1.108 25067 5461 1 9 . 1 1 95 95 THR H H 95 8.762 8.762 8.513 0.249 25067 5462 1 9 . 1 1 96 96 THR HA H 96 4.367 4.367 4.730 -0.363 25067 5463 1 9 . 1 1 96 96 THR CA C 96 61.740 61.740 61.213 0.527 25067 5464 1 9 . 1 1 96 96 THR CB C 96 70.992 70.992 70.605 0.387 25067 5465 1 9 . 1 1 97 97 THR N N 97 120.315 120.315 120.410 -0.095 25067 5466 1 9 . 1 1 97 97 THR HA H 97 5.363 5.363 4.733 0.630 25067 5467 1 9 . 1 1 97 97 THR CA C 97 61.379 61.379 61.800 -0.421 25067 5468 1 9 . 1 1 97 97 THR CB C 97 71.216 71.216 70.241 0.975 25067 5469 1 9 . 1 1 97 97 THR H H 97 8.999 8.999 8.432 0.567 25067 5470 1 9 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.929 0.263 25067 5471 1 9 . 1 1 98 98 ASP C C 98 175.672 175.672 177.114 -1.442 25067 5472 1 9 . 1 1 98 98 ASP CA C 98 52.593 52.593 53.474 -0.881 25067 5473 1 9 . 1 1 98 98 ASP CB C 98 41.735 41.735 43.386 -1.651 25067 5474 1 9 . 1 1 99 99 GLY N N 99 111.919 111.919 110.465 1.454 25067 5475 1 9 . 1 1 99 99 GLY C C 99 174.049 174.049 175.618 -1.569 25067 5476 1 9 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.854 -1.828 25067 5477 1 9 . 1 1 99 99 GLY H H 99 7.817 7.817 8.715 -0.898 25067 5478 1 9 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.522 0.032 25067 5479 1 9 . 1 1 100 100 ASP C C 100 177.518 177.518 176.249 1.269 25067 5480 1 9 . 1 1 100 100 ASP CA C 100 57.488 57.488 56.794 0.694 25067 5481 1 9 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.654 -0.017 25067 5482 1 9 . 1 1 101 101 THR N N 101 112.835 112.835 113.246 -0.411 25067 5483 1 9 . 1 1 101 101 THR HA H 101 4.613 4.613 4.533 0.080 25067 5484 1 9 . 1 1 101 101 THR C C 101 173.003 173.003 172.922 0.081 25067 5485 1 9 . 1 1 101 101 THR CA C 101 60.857 60.857 62.057 -1.200 25067 5486 1 9 . 1 1 101 101 THR CB C 101 70.589 70.589 72.269 -1.680 25067 5487 1 9 . 1 1 101 101 THR H H 101 7.819 7.819 7.585 0.234 25067 5488 1 9 . 1 1 102 102 PHE N N 102 126.633 126.633 126.236 0.397 25067 5489 1 9 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.886 0.005 25067 5490 1 9 . 1 1 102 102 PHE C C 102 173.286 173.286 173.210 0.076 25067 5491 1 9 . 1 1 102 102 PHE CA C 102 57.173 57.173 56.385 0.788 25067 5492 1 9 . 1 1 102 102 PHE CB C 102 40.719 40.719 41.589 -0.870 25067 5493 1 9 . 1 1 102 102 PHE H H 102 8.581 8.581 8.247 0.334 25067 5494 1 9 . 1 1 103 103 GLU N N 103 125.528 125.528 126.508 -0.980 25067 5495 1 9 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.012 0.225 25067 5496 1 9 . 1 1 103 103 GLU C C 103 173.851 173.851 174.354 -0.503 25067 5497 1 9 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.305 -0.245 25067 5498 1 9 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.056 1.262 25067 5499 1 9 . 1 1 103 103 GLU H H 103 7.986 7.986 8.375 -0.389 25067 5500 1 9 . 1 1 104 104 VAL N N 104 124.582 124.582 125.275 -0.693 25067 5501 1 9 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.400 0.244 25067 5502 1 9 . 1 1 104 104 VAL C C 104 173.763 173.763 174.934 -1.171 25067 5503 1 9 . 1 1 104 104 VAL CA C 104 59.963 59.963 60.977 -1.014 25067 5504 1 9 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.134 1.236 25067 5505 1 9 . 1 1 104 104 VAL H H 104 9.245 9.245 8.675 0.570 25067 5506 1 9 . 1 1 105 105 GLU N N 105 127.755 127.755 129.076 -1.321 25067 5507 1 9 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.652 0.600 25067 5508 1 9 . 1 1 105 105 GLU C C 105 174.572 174.572 175.093 -0.521 25067 5509 1 9 . 1 1 105 105 GLU CA C 105 54.359 54.359 55.323 -0.964 25067 5510 1 9 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.379 1.439 25067 5511 1 9 . 1 1 105 105 GLU H H 105 9.040 9.040 8.577 0.463 25067 5512 1 9 . 1 1 106 106 VAL N N 106 127.452 127.452 126.179 1.273 25067 5513 1 9 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.178 0.590 25067 5514 1 9 . 1 1 106 106 VAL C C 106 174.692 174.692 174.596 0.096 25067 5515 1 9 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.912 -1.489 25067 5516 1 9 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.104 2.038 25067 5517 1 9 . 1 1 106 106 VAL H H 106 9.315 9.315 8.547 0.768 25067 5518 1 9 . 1 1 107 107 ILE N N 107 127.006 127.006 128.845 -1.839 25067 5519 1 9 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.258 0.359 25067 5520 1 9 . 1 1 107 107 ILE C C 107 176.187 176.187 175.130 1.057 25067 5521 1 9 . 1 1 107 107 ILE CA C 107 60.406 60.406 58.924 1.482 25067 5522 1 9 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.483 2.038 25067 5523 1 9 . 1 1 107 107 ILE H H 107 8.814 8.814 8.485 0.329 25067 5524 1 9 . 1 1 108 108 LEU N N 108 128.313 128.313 128.917 -0.604 25067 5525 1 9 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.512 0.245 25067 5526 1 9 . 1 1 108 108 LEU C C 108 176.058 176.058 175.972 0.086 25067 5527 1 9 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.629 0.495 25067 5528 1 9 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.690 1.384 25067 5529 1 9 . 1 1 108 108 LEU H H 108 8.652 8.652 8.099 0.553 25067 5530 1 9 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.337 0.195 25067 5531 1 9 . 1 1 109 109 GLU C C 109 175.408 175.408 175.358 0.050 25067 5532 1 9 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.773 -0.412 25067 5533 1 9 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.440 1.207 25067 5534 1 9 . 1 1 110 110 LEU N N 110 125.467 125.467 126.432 -0.965 25067 5535 1 9 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.301 0.100 25067 5536 1 9 . 1 1 110 110 LEU C C 110 176.854 176.854 176.846 0.008 25067 5537 1 9 . 1 1 110 110 LEU CA C 110 54.969 54.969 53.684 1.284 25067 5538 1 9 . 1 1 110 110 LEU CB C 110 42.515 42.515 40.053 2.462 25067 5539 1 9 . 1 1 110 110 LEU H H 110 8.402 8.402 8.139 0.263 25067 5540 1 9 . 1 1 111 111 GLU N N 111 121.575 121.575 125.555 -3.980 25067 5541 1 9 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.506 -0.245 25067 5542 1 9 . 1 1 111 111 GLU CA C 111 56.521 56.521 56.608 -0.087 25067 5543 1 9 . 1 1 111 111 GLU CB C 111 30.291 30.291 31.133 -0.842 25067 5544 1 9 . 1 1 111 111 GLU H H 111 8.607 8.607 8.703 -0.096 25067 5545 1 10 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.395 -0.275 25067 5546 1 10 . 1 1 2 2 ALA CA C 2 52.161 52.161 51.831 0.330 25067 5547 1 10 . 1 1 2 2 ALA CB C 2 19.392 19.392 18.887 0.504 25067 5548 1 10 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.347 0.031 25067 5549 1 10 . 1 1 4 4 LYS C C 4 176.563 176.563 174.837 1.726 25067 5550 1 10 . 1 1 4 4 LYS CA C 4 56.384 56.384 55.860 0.524 25067 5551 1 10 . 1 1 4 4 LYS CB C 4 33.156 33.156 33.584 -0.428 25067 5552 1 10 . 1 1 5 5 GLU N N 5 122.511 122.511 125.524 -3.013 25067 5553 1 10 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.237 0.140 25067 5554 1 10 . 1 1 5 5 GLU C C 5 176.099 176.099 175.244 0.855 25067 5555 1 10 . 1 1 5 5 GLU CA C 5 56.384 56.384 55.497 0.887 25067 5556 1 10 . 1 1 5 5 GLU CB C 5 29.803 29.803 29.907 -0.104 25067 5557 1 10 . 1 1 5 5 GLU H H 5 8.601 8.601 8.388 0.213 25067 5558 1 10 . 1 1 6 6 LEU N N 6 124.063 124.063 127.757 -3.694 25067 5559 1 10 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.388 0.011 25067 5560 1 10 . 1 1 6 6 LEU C C 6 175.082 175.082 176.574 -1.492 25067 5561 1 10 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.376 0.349 25067 5562 1 10 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.655 0.558 25067 5563 1 10 . 1 1 6 6 LEU H H 6 8.409 8.409 8.568 -0.159 25067 5564 1 10 . 1 1 7 7 ARG N N 7 122.244 122.244 124.476 -2.232 25067 5565 1 10 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.632 -0.187 25067 5566 1 10 . 1 1 7 7 ARG C C 7 174.768 174.768 175.266 -0.498 25067 5567 1 10 . 1 1 7 7 ARG CA C 7 54.690 54.690 56.824 -2.134 25067 5568 1 10 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.640 1.450 25067 5569 1 10 . 1 1 7 7 ARG H H 7 8.016 8.016 8.467 -0.451 25067 5570 1 10 . 1 1 8 8 VAL N N 8 123.767 123.767 124.343 -0.576 25067 5571 1 10 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.767 -0.475 25067 5572 1 10 . 1 1 8 8 VAL C C 8 173.562 173.562 174.583 -1.021 25067 5573 1 10 . 1 1 8 8 VAL CA C 8 60.842 60.842 61.653 -0.811 25067 5574 1 10 . 1 1 8 8 VAL CB C 8 34.184 34.184 33.411 0.773 25067 5575 1 10 . 1 1 8 8 VAL H H 8 8.659 8.659 9.013 -0.354 25067 5576 1 10 . 1 1 9 9 GLU N N 9 127.779 127.779 129.101 -1.322 25067 5577 1 10 . 1 1 9 9 GLU HA H 9 4.890 4.890 5.235 -0.345 25067 5578 1 10 . 1 1 9 9 GLU C C 9 175.446 175.446 175.675 -0.229 25067 5579 1 10 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.639 0.844 25067 5580 1 10 . 1 1 9 9 GLU CB C 9 30.750 30.750 31.026 -0.276 25067 5581 1 10 . 1 1 9 9 GLU H H 9 8.513 8.513 8.442 0.071 25067 5582 1 10 . 1 1 10 10 ILE N N 10 127.770 127.770 128.490 -0.720 25067 5583 1 10 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.355 0.545 25067 5584 1 10 . 1 1 10 10 ILE C C 10 174.981 174.981 174.688 0.293 25067 5585 1 10 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.848 -1.424 25067 5586 1 10 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.213 1.432 25067 5587 1 10 . 1 1 10 10 ILE H H 10 9.199 9.199 9.063 0.136 25067 5588 1 10 . 1 1 11 11 LYS N N 11 125.866 125.866 129.888 -4.022 25067 5589 1 10 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.668 0.770 25067 5590 1 10 . 1 1 11 11 LYS C C 11 175.835 175.835 174.514 1.321 25067 5591 1 10 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.164 0.653 25067 5592 1 10 . 1 1 11 11 LYS CB C 11 35.060 35.060 34.133 0.927 25067 5593 1 10 . 1 1 11 11 LYS H H 11 9.257 9.257 8.967 0.290 25067 5594 1 10 . 1 1 12 12 ILE N N 12 121.799 121.799 127.062 -5.263 25067 5595 1 10 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.328 0.971 25067 5596 1 10 . 1 1 12 12 ILE C C 12 175.132 175.132 173.967 1.165 25067 5597 1 10 . 1 1 12 12 ILE CA C 12 59.134 59.134 59.088 0.046 25067 5598 1 10 . 1 1 12 12 ILE CB C 12 39.666 39.666 38.378 1.288 25067 5599 1 10 . 1 1 12 12 ILE H H 12 9.075 9.075 8.670 0.405 25067 5600 1 10 . 1 1 13 13 ASP N N 13 129.263 129.263 127.281 1.982 25067 5601 1 10 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.900 0.309 25067 5602 1 10 . 1 1 13 13 ASP C C 13 175.898 175.898 175.117 0.781 25067 5603 1 10 . 1 1 13 13 ASP CA C 13 52.731 52.731 52.900 -0.169 25067 5604 1 10 . 1 1 13 13 ASP CB C 13 43.750 43.750 43.153 0.597 25067 5605 1 10 . 1 1 13 13 ASP H H 13 9.415 9.415 8.194 1.221 25067 5606 1 10 . 1 1 14 14 CYS N N 14 122.767 122.767 124.656 -1.889 25067 5607 1 10 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.796 0.136 25067 5608 1 10 . 1 1 14 14 CYS C C 14 174.228 174.228 175.027 -0.799 25067 5609 1 10 . 1 1 14 14 CYS CA C 14 58.269 58.269 56.801 1.468 25067 5610 1 10 . 1 1 14 14 CYS CB C 14 28.447 28.447 28.284 0.163 25067 5611 1 10 . 1 1 14 14 CYS H H 14 9.274 9.274 8.444 0.830 25067 5612 1 10 . 1 1 15 15 GLY N N 15 110.606 110.606 117.205 -6.599 25067 5613 1 10 . 1 1 15 15 GLY C C 15 173.986 173.986 173.787 0.199 25067 5614 1 10 . 1 1 15 15 GLY CA C 15 45.892 45.892 46.306 -0.414 25067 5615 1 10 . 1 1 15 15 GLY H H 15 8.919 8.919 8.520 0.399 25067 5616 1 10 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.676 0.120 25067 5617 1 10 . 1 1 16 16 ASN C C 16 175.157 175.157 175.252 -0.095 25067 5618 1 10 . 1 1 16 16 ASN CA C 16 53.181 53.181 53.487 -0.306 25067 5619 1 10 . 1 1 16 16 ASN CB C 16 38.955 38.955 39.233 -0.279 25067 5620 1 10 . 1 1 17 17 ASP N N 17 118.767 118.767 121.851 -3.084 25067 5621 1 10 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.772 -0.183 25067 5622 1 10 . 1 1 17 17 ASP C C 17 175.493 175.493 175.030 0.463 25067 5623 1 10 . 1 1 17 17 ASP CA C 17 54.533 54.533 53.584 0.949 25067 5624 1 10 . 1 1 17 17 ASP CB C 17 40.992 40.992 40.042 0.950 25067 5625 1 10 . 1 1 17 17 ASP H H 17 8.409 8.409 8.444 -0.035 25067 5626 1 10 . 1 1 18 18 ASP N N 18 119.912 119.912 119.929 -0.017 25067 5627 1 10 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.675 -0.069 25067 5628 1 10 . 1 1 18 18 ASP C C 18 175.870 175.870 174.961 0.909 25067 5629 1 10 . 1 1 18 18 ASP CA C 18 54.242 54.242 53.861 0.381 25067 5630 1 10 . 1 1 18 18 ASP CB C 18 41.116 41.116 43.521 -2.405 25067 5631 1 10 . 1 1 18 18 ASP H H 18 8.291 8.291 7.530 0.761 25067 5632 1 10 . 1 1 19 19 LYS N N 19 120.828 120.828 124.404 -3.576 25067 5633 1 10 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.292 0.147 25067 5634 1 10 . 1 1 19 19 LYS C C 19 176.121 176.121 176.613 -0.492 25067 5635 1 10 . 1 1 19 19 LYS CA C 19 55.646 55.646 56.587 -0.941 25067 5636 1 10 . 1 1 19 19 LYS CB C 19 33.015 33.015 32.102 0.913 25067 5637 1 10 . 1 1 19 19 LYS H H 19 8.140 8.140 8.354 -0.214 25067 5638 1 10 . 1 1 20 20 GLU N N 20 123.292 123.292 125.579 -2.287 25067 5639 1 10 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.204 0.336 25067 5640 1 10 . 1 1 20 20 GLU C C 20 176.413 176.413 176.857 -0.444 25067 5641 1 10 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.539 -0.021 25067 5642 1 10 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.994 0.548 25067 5643 1 10 . 1 1 20 20 GLU H H 20 8.645 8.645 8.598 0.047 25067 5644 1 10 . 1 1 21 21 THR N N 21 119.747 119.747 120.153 -0.406 25067 5645 1 10 . 1 1 21 21 THR HA H 21 4.517 4.517 4.514 0.003 25067 5646 1 10 . 1 1 21 21 THR C C 21 173.148 173.148 173.224 -0.076 25067 5647 1 10 . 1 1 21 21 THR CA C 21 61.989 61.989 62.081 -0.092 25067 5648 1 10 . 1 1 21 21 THR CB C 21 70.485 70.485 70.594 -0.109 25067 5649 1 10 . 1 1 21 21 THR H H 21 8.589 8.589 8.156 0.433 25067 5650 1 10 . 1 1 22 22 THR N N 22 119.539 119.539 122.645 -3.106 25067 5651 1 10 . 1 1 22 22 THR HA H 22 5.342 5.342 5.150 0.192 25067 5652 1 10 . 1 1 22 22 THR C C 22 173.148 173.148 173.278 -0.130 25067 5653 1 10 . 1 1 22 22 THR CA C 22 60.977 60.977 61.162 -0.185 25067 5654 1 10 . 1 1 22 22 THR CB C 22 70.490 70.490 70.891 -0.401 25067 5655 1 10 . 1 1 22 22 THR H H 22 8.191 8.191 8.330 -0.139 25067 5656 1 10 . 1 1 23 23 TYR N N 23 123.279 123.279 126.532 -3.253 25067 5657 1 10 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.637 0.017 25067 5658 1 10 . 1 1 23 23 TYR C C 23 173.400 173.400 174.532 -1.132 25067 5659 1 10 . 1 1 23 23 TYR CA C 23 56.982 56.982 56.818 0.164 25067 5660 1 10 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.205 2.113 25067 5661 1 10 . 1 1 23 23 TYR H H 23 9.268 9.268 9.094 0.174 25067 5662 1 10 . 1 1 24 24 ASP N N 24 121.837 121.837 124.482 -2.645 25067 5663 1 10 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.300 -0.456 25067 5664 1 10 . 1 1 24 24 ASP C C 24 173.400 173.400 175.448 -2.048 25067 5665 1 10 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.905 -0.436 25067 5666 1 10 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.287 0.654 25067 5667 1 10 . 1 1 24 24 ASP H H 24 8.484 8.484 8.670 -0.186 25067 5668 1 10 . 1 1 25 25 LEU N N 25 126.268 126.268 121.396 4.872 25067 5669 1 10 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.725 -0.625 25067 5670 1 10 . 1 1 25 25 LEU C C 25 174.677 174.677 175.319 -0.642 25067 5671 1 10 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.529 -0.796 25067 5672 1 10 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.617 -1.991 25067 5673 1 10 . 1 1 25 25 LEU H H 25 8.619 8.619 8.242 0.377 25067 5674 1 10 . 1 1 26 26 TYR N N 26 123.695 123.695 120.437 3.258 25067 5675 1 10 . 1 1 26 26 TYR HA H 26 4.635 4.635 5.188 -0.553 25067 5676 1 10 . 1 1 26 26 TYR C C 26 176.833 176.833 176.322 0.511 25067 5677 1 10 . 1 1 26 26 TYR CA C 26 56.282 56.282 55.833 0.449 25067 5678 1 10 . 1 1 26 26 TYR CB C 26 38.143 38.143 38.422 -0.279 25067 5679 1 10 . 1 1 26 26 TYR H H 26 8.465 8.465 8.324 0.141 25067 5680 1 10 . 1 1 27 27 PHE N N 27 119.951 119.951 128.296 -8.345 25067 5681 1 10 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.426 0.360 25067 5682 1 10 . 1 1 27 27 PHE C C 27 176.205 176.205 174.332 1.873 25067 5683 1 10 . 1 1 27 27 PHE CA C 27 60.136 60.136 56.711 3.425 25067 5684 1 10 . 1 1 27 27 PHE CB C 27 38.455 38.455 38.196 0.259 25067 5685 1 10 . 1 1 27 27 PHE H H 27 7.991 7.991 8.537 -0.546 25067 5686 1 10 . 1 1 28 28 SER N N 28 114.987 114.987 124.195 -9.208 25067 5687 1 10 . 1 1 28 28 SER HA H 28 4.455 4.455 4.193 0.262 25067 5688 1 10 . 1 1 28 28 SER C C 28 174.517 174.517 174.120 0.397 25067 5689 1 10 . 1 1 28 28 SER CA C 28 59.489 59.489 58.327 1.162 25067 5690 1 10 . 1 1 28 28 SER CB C 28 62.828 62.828 64.024 -1.196 25067 5691 1 10 . 1 1 28 28 SER H H 28 8.508 8.508 7.823 0.685 25067 5692 1 10 . 1 1 29 29 LYS N N 29 123.721 123.721 124.269 -0.548 25067 5693 1 10 . 1 1 29 29 LYS HA H 29 4.653 4.653 3.688 0.965 25067 5694 1 10 . 1 1 29 29 LYS C C 29 175.954 175.954 175.607 0.347 25067 5695 1 10 . 1 1 29 29 LYS CA C 29 54.695 54.695 56.966 -2.271 25067 5696 1 10 . 1 1 29 29 LYS CB C 29 31.548 31.548 30.442 1.106 25067 5697 1 10 . 1 1 29 29 LYS H H 29 7.723 7.723 8.330 -0.607 25067 5698 1 10 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.398 -0.326 25067 5699 1 10 . 1 1 30 30 ALA CA C 30 55.547 55.547 51.591 3.956 25067 5700 1 10 . 1 1 30 30 ALA CB C 30 18.771 18.771 20.280 -1.509 25067 5701 1 10 . 1 1 31 31 GLU N N 31 117.703 117.703 119.226 -1.523 25067 5702 1 10 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.093 0.085 25067 5703 1 10 . 1 1 31 31 GLU C C 31 179.251 179.251 177.857 1.394 25067 5704 1 10 . 1 1 31 31 GLU CA C 31 59.596 59.596 58.793 0.803 25067 5705 1 10 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.564 -0.966 25067 5706 1 10 . 1 1 31 31 GLU H H 31 9.034 9.034 8.774 0.260 25067 5707 1 10 . 1 1 32 32 GLU N N 32 121.084 121.084 118.581 2.503 25067 5708 1 10 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.025 0.160 25067 5709 1 10 . 1 1 32 32 GLU C C 32 179.251 179.251 178.305 0.946 25067 5710 1 10 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.959 0.258 25067 5711 1 10 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.204 0.127 25067 5712 1 10 . 1 1 32 32 GLU H H 32 8.046 8.046 8.772 -0.726 25067 5713 1 10 . 1 1 33 33 ALA N N 33 122.906 122.906 121.519 1.387 25067 5714 1 10 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.917 0.173 25067 5715 1 10 . 1 1 33 33 ALA C C 33 180.244 180.244 179.584 0.660 25067 5716 1 10 . 1 1 33 33 ALA CA C 33 55.519 55.519 54.988 0.531 25067 5717 1 10 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.117 -0.149 25067 5718 1 10 . 1 1 33 33 ALA H H 33 8.383 8.383 7.764 0.619 25067 5719 1 10 . 1 1 34 34 LYS N N 34 119.560 119.560 118.145 1.415 25067 5720 1 10 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.184 0.006 25067 5721 1 10 . 1 1 34 34 LYS C C 34 179.198 179.198 178.460 0.738 25067 5722 1 10 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.571 -0.090 25067 5723 1 10 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.218 0.234 25067 5724 1 10 . 1 1 34 34 LYS H H 34 7.885 7.885 8.011 -0.126 25067 5725 1 10 . 1 1 35 35 GLU N N 35 121.053 121.053 119.947 1.106 25067 5726 1 10 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.172 0.009 25067 5727 1 10 . 1 1 35 35 GLU C C 35 179.288 179.288 179.002 0.286 25067 5728 1 10 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.178 0.213 25067 5729 1 10 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.538 -0.194 25067 5730 1 10 . 1 1 35 35 GLU H H 35 8.042 8.042 7.486 0.556 25067 5731 1 10 . 1 1 36 36 LEU N N 36 121.053 121.053 120.717 0.336 25067 5732 1 10 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.168 0.069 25067 5733 1 10 . 1 1 36 36 LEU C C 36 177.982 177.982 179.252 -1.270 25067 5734 1 10 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.339 0.398 25067 5735 1 10 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.065 0.876 25067 5736 1 10 . 1 1 36 36 LEU H H 36 8.434 8.434 8.097 0.337 25067 5737 1 10 . 1 1 37 37 LEU N N 37 120.035 120.035 121.105 -1.070 25067 5738 1 10 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.789 -0.173 25067 5739 1 10 . 1 1 37 37 LEU C C 37 178.070 178.070 178.271 -0.201 25067 5740 1 10 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.772 0.777 25067 5741 1 10 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.782 0.365 25067 5742 1 10 . 1 1 37 37 LEU H H 37 7.883 7.883 8.536 -0.653 25067 5743 1 10 . 1 1 38 38 LYS N N 38 116.604 116.604 118.383 -1.779 25067 5744 1 10 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.908 -0.112 25067 5745 1 10 . 1 1 38 38 LYS C C 38 178.246 178.246 178.851 -0.605 25067 5746 1 10 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.502 0.013 25067 5747 1 10 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.179 0.416 25067 5748 1 10 . 1 1 38 38 LYS H H 38 7.102 7.102 7.565 -0.463 25067 5749 1 10 . 1 1 39 39 LYS N N 39 118.823 118.823 119.153 -0.330 25067 5750 1 10 . 1 1 39 39 LYS HA H 39 4.155 4.155 3.991 0.164 25067 5751 1 10 . 1 1 39 39 LYS C C 39 179.464 179.464 179.133 0.331 25067 5752 1 10 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.383 -0.257 25067 5753 1 10 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.468 0.226 25067 5754 1 10 . 1 1 39 39 LYS H H 39 7.752 7.752 7.439 0.313 25067 5755 1 10 . 1 1 40 40 VAL N N 40 119.336 119.336 118.888 0.448 25067 5756 1 10 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.369 -0.016 25067 5757 1 10 . 1 1 40 40 VAL C C 40 178.612 178.612 177.518 1.094 25067 5758 1 10 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.161 0.175 25067 5759 1 10 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.210 -0.059 25067 5760 1 10 . 1 1 40 40 VAL H H 40 8.925 8.925 7.711 1.214 25067 5761 1 10 . 1 1 41 41 ALA N N 41 120.709 120.709 122.675 -1.966 25067 5762 1 10 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.934 -0.039 25067 5763 1 10 . 1 1 41 41 ALA C C 41 179.163 179.163 179.366 -0.203 25067 5764 1 10 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.291 -0.266 25067 5765 1 10 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.386 0.309 25067 5766 1 10 . 1 1 41 41 ALA H H 41 8.001 8.001 7.760 0.241 25067 5767 1 10 . 1 1 42 42 GLU N N 42 117.330 117.330 116.729 0.601 25067 5768 1 10 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.058 -0.122 25067 5769 1 10 . 1 1 42 42 GLU C C 42 179.452 179.452 178.965 0.487 25067 5770 1 10 . 1 1 42 42 GLU CA C 42 59.611 59.611 58.540 1.071 25067 5771 1 10 . 1 1 42 42 GLU CB C 42 29.739 29.739 28.815 0.924 25067 5772 1 10 . 1 1 42 42 GLU H H 42 8.197 8.197 7.665 0.532 25067 5773 1 10 . 1 1 43 43 LYS N N 43 119.586 119.586 120.535 -0.949 25067 5774 1 10 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.307 -0.109 25067 5775 1 10 . 1 1 43 43 LYS C C 43 179.595 179.595 178.972 0.623 25067 5776 1 10 . 1 1 43 43 LYS CA C 43 58.769 58.769 58.898 -0.129 25067 5777 1 10 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.259 -0.188 25067 5778 1 10 . 1 1 43 43 LYS H H 43 8.119 8.119 7.655 0.464 25067 5779 1 10 . 1 1 44 44 ALA N N 44 121.948 121.948 120.119 1.829 25067 5780 1 10 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.178 0.088 25067 5781 1 10 . 1 1 44 44 ALA C C 44 178.937 178.937 179.070 -0.133 25067 5782 1 10 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.550 0.440 25067 5783 1 10 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.407 -0.606 25067 5784 1 10 . 1 1 44 44 ALA H H 44 8.396 8.396 8.038 0.358 25067 5785 1 10 . 1 1 45 45 ALA N N 45 118.814 118.814 121.121 -2.307 25067 5786 1 10 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.963 -0.006 25067 5787 1 10 . 1 1 45 45 ALA C C 45 178.887 178.887 179.058 -0.171 25067 5788 1 10 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.659 0.909 25067 5789 1 10 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.283 -0.256 25067 5790 1 10 . 1 1 45 45 ALA H H 45 8.519 8.519 7.539 0.980 25067 5791 1 10 . 1 1 46 46 ASP N N 46 116.930 116.930 117.721 -0.791 25067 5792 1 10 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.391 0.008 25067 5793 1 10 . 1 1 46 46 ASP C C 46 178.020 178.020 178.186 -0.166 25067 5794 1 10 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.298 0.342 25067 5795 1 10 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.502 1.334 25067 5796 1 10 . 1 1 46 46 ASP H H 46 7.852 7.852 7.953 -0.101 25067 5797 1 10 . 1 1 47 47 LYS N N 47 119.467 119.467 117.987 1.480 25067 5798 1 10 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.187 -0.094 25067 5799 1 10 . 1 1 47 47 LYS C C 47 178.924 178.924 178.624 0.300 25067 5800 1 10 . 1 1 47 47 LYS CA C 47 59.672 59.672 57.672 2.000 25067 5801 1 10 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.199 0.312 25067 5802 1 10 . 1 1 47 47 LYS H H 47 7.692 7.692 7.325 0.367 25067 5803 1 10 . 1 1 48 48 ILE N N 48 119.929 119.929 119.089 0.840 25067 5804 1 10 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.861 -0.121 25067 5805 1 10 . 1 1 48 48 ILE C C 48 179.025 179.025 177.375 1.650 25067 5806 1 10 . 1 1 48 48 ILE CA C 48 64.978 64.978 62.598 2.380 25067 5807 1 10 . 1 1 48 48 ILE CB C 48 38.292 38.292 36.683 1.609 25067 5808 1 10 . 1 1 48 48 ILE H H 48 8.585 8.585 7.759 0.826 25067 5809 1 10 . 1 1 49 49 LYS N N 49 119.534 119.534 118.495 1.039 25067 5810 1 10 . 1 1 49 49 LYS HA H 49 4.017 4.017 3.738 0.279 25067 5811 1 10 . 1 1 49 49 LYS C C 49 179.025 179.025 177.801 1.224 25067 5812 1 10 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.572 1.075 25067 5813 1 10 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.208 0.393 25067 5814 1 10 . 1 1 49 49 LYS H H 49 8.353 8.353 7.600 0.753 25067 5815 1 10 . 1 1 50 50 LYS N N 50 117.423 117.423 116.474 0.949 25067 5816 1 10 . 1 1 50 50 LYS HA H 50 4.216 4.216 3.998 0.218 25067 5817 1 10 . 1 1 50 50 LYS C C 50 178.510 178.510 177.793 0.717 25067 5818 1 10 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.339 0.158 25067 5819 1 10 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.846 0.476 25067 5820 1 10 . 1 1 50 50 LYS H H 50 7.996 7.996 7.392 0.604 25067 5821 1 10 . 1 1 51 51 GLN N N 51 115.137 115.137 113.761 1.376 25067 5822 1 10 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.617 -0.136 25067 5823 1 10 . 1 1 51 51 GLN C C 51 177.292 177.292 175.829 1.463 25067 5824 1 10 . 1 1 51 51 GLN CA C 51 56.007 56.007 56.746 -0.739 25067 5825 1 10 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.977 -2.037 25067 5826 1 10 . 1 1 51 51 GLN H H 51 8.384 8.384 7.523 0.861 25067 5827 1 10 . 1 1 52 52 GLY N N 52 109.119 109.119 106.312 2.807 25067 5828 1 10 . 1 1 52 52 GLY C C 52 174.391 174.391 173.268 1.123 25067 5829 1 10 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.426 1.134 25067 5830 1 10 . 1 1 52 52 GLY H H 52 8.218 8.218 8.473 -0.255 25067 5831 1 10 . 1 1 53 53 CYS N N 53 116.935 116.935 118.864 -1.929 25067 5832 1 10 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.151 0.334 25067 5833 1 10 . 1 1 53 53 CYS C C 53 173.989 173.989 175.155 -1.166 25067 5834 1 10 . 1 1 53 53 CYS CA C 53 58.148 58.148 59.065 -0.917 25067 5835 1 10 . 1 1 53 53 CYS CB C 53 28.714 28.714 26.572 2.142 25067 5836 1 10 . 1 1 53 53 CYS H H 53 7.623 7.623 8.156 -0.533 25067 5837 1 10 . 1 1 54 54 LYS N N 54 120.659 120.659 120.949 -0.290 25067 5838 1 10 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.487 0.013 25067 5839 1 10 . 1 1 54 54 LYS C C 54 174.793 174.793 176.447 -1.654 25067 5840 1 10 . 1 1 54 54 LYS CA C 54 56.326 56.326 56.493 -0.167 25067 5841 1 10 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.815 0.895 25067 5842 1 10 . 1 1 54 54 LYS H H 54 8.765 8.765 8.681 0.084 25067 5843 1 10 . 1 1 55 55 ARG N N 55 117.927 117.927 119.321 -1.394 25067 5844 1 10 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.500 0.943 25067 5845 1 10 . 1 1 55 55 ARG C C 55 174.517 174.517 173.273 1.244 25067 5846 1 10 . 1 1 55 55 ARG CA C 55 54.589 54.589 56.155 -1.566 25067 5847 1 10 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.849 0.767 25067 5848 1 10 . 1 1 55 55 ARG H H 55 7.603 7.603 7.624 -0.021 25067 5849 1 10 . 1 1 56 56 VAL N N 56 122.079 122.079 126.312 -4.233 25067 5850 1 10 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.466 0.359 25067 5851 1 10 . 1 1 56 56 VAL C C 56 173.311 173.311 174.197 -0.886 25067 5852 1 10 . 1 1 56 56 VAL CA C 56 60.285 60.285 61.094 -0.809 25067 5853 1 10 . 1 1 56 56 VAL CB C 56 34.930 34.930 35.555 -0.625 25067 5854 1 10 . 1 1 56 56 VAL H H 56 8.853 8.853 8.848 0.005 25067 5855 1 10 . 1 1 57 57 LYS N N 57 125.849 125.849 126.394 -0.545 25067 5856 1 10 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.700 0.904 25067 5857 1 10 . 1 1 57 57 LYS C C 57 174.881 174.881 174.808 0.073 25067 5858 1 10 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.256 -0.518 25067 5859 1 10 . 1 1 57 57 LYS CB C 57 35.935 35.935 35.374 0.561 25067 5860 1 10 . 1 1 57 57 LYS H H 57 8.819 8.819 9.022 -0.203 25067 5861 1 10 . 1 1 58 58 ILE N N 58 125.213 125.213 125.711 -0.498 25067 5862 1 10 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.352 0.815 25067 5863 1 10 . 1 1 58 58 ILE C C 58 174.981 174.981 175.049 -0.068 25067 5864 1 10 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.982 -0.386 25067 5865 1 10 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.809 2.050 25067 5866 1 10 . 1 1 58 58 ILE H H 58 9.204 9.204 8.661 0.543 25067 5867 1 10 . 1 1 59 59 ARG N N 59 124.047 124.047 127.250 -3.203 25067 5868 1 10 . 1 1 59 59 ARG HA H 59 6.101 6.101 4.841 1.260 25067 5869 1 10 . 1 1 59 59 ARG C C 59 175.144 175.144 174.857 0.287 25067 5870 1 10 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.709 -0.618 25067 5871 1 10 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.900 2.135 25067 5872 1 10 . 1 1 59 59 ARG H H 59 9.467 9.467 8.849 0.618 25067 5873 1 10 . 1 1 60 60 PHE N N 60 113.223 113.223 122.264 -9.041 25067 5874 1 10 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.047 0.157 25067 5875 1 10 . 1 1 60 60 PHE C C 60 173.110 173.110 173.337 -0.227 25067 5876 1 10 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.913 0.017 25067 5877 1 10 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.621 -1.241 25067 5878 1 10 . 1 1 60 60 PHE H H 60 8.451 8.451 8.550 -0.099 25067 5879 1 10 . 1 1 61 61 GLU N N 61 121.333 121.333 126.083 -4.750 25067 5880 1 10 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.418 0.226 25067 5881 1 10 . 1 1 61 61 GLU C C 61 177.147 177.147 175.199 1.948 25067 5882 1 10 . 1 1 61 61 GLU CA C 61 55.965 55.965 55.229 0.736 25067 5883 1 10 . 1 1 61 61 GLU CB C 61 30.698 30.698 29.742 0.956 25067 5884 1 10 . 1 1 61 61 GLU H H 61 9.572 9.572 8.401 1.171 25067 5885 1 10 . 1 1 62 62 LYS N N 62 121.311 121.311 123.435 -2.124 25067 5886 1 10 . 1 1 62 62 LYS HA H 62 4.343 4.343 3.996 0.347 25067 5887 1 10 . 1 1 62 62 LYS C C 62 177.398 177.398 175.589 1.809 25067 5888 1 10 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.846 2.339 25067 5889 1 10 . 1 1 62 62 LYS CB C 62 32.937 32.937 32.679 0.258 25067 5890 1 10 . 1 1 62 62 LYS H H 62 8.160 8.160 8.242 -0.082 25067 5891 1 10 . 1 1 63 63 LYS N N 63 120.742 120.742 119.606 1.136 25067 5892 1 10 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.236 -0.118 25067 5893 1 10 . 1 1 63 63 LYS C C 63 177.015 177.015 176.649 0.366 25067 5894 1 10 . 1 1 63 63 LYS CA C 63 58.693 58.693 56.010 2.683 25067 5895 1 10 . 1 1 63 63 LYS CB C 63 31.677 31.677 30.871 0.806 25067 5896 1 10 . 1 1 63 63 LYS H H 63 8.028 8.028 7.696 0.332 25067 5897 1 10 . 1 1 64 64 GLY C C 64 174.039 174.039 173.216 0.823 25067 5898 1 10 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.676 -0.813 25067 5899 1 10 . 1 1 65 65 LEU N N 65 119.849 119.849 118.581 1.268 25067 5900 1 10 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.797 -0.173 25067 5901 1 10 . 1 1 65 65 LEU C C 65 177.493 177.493 175.120 2.373 25067 5902 1 10 . 1 1 65 65 LEU CA C 65 54.128 54.128 53.087 1.041 25067 5903 1 10 . 1 1 65 65 LEU CB C 65 43.686 43.686 43.802 -0.116 25067 5904 1 10 . 1 1 65 65 LEU H H 65 7.836 7.836 7.773 0.063 25067 5905 1 10 . 1 1 66 66 ASP N N 66 123.296 123.296 121.042 2.254 25067 5906 1 10 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.690 -0.018 25067 5907 1 10 . 1 1 66 66 ASP C C 66 175.471 175.471 176.924 -1.453 25067 5908 1 10 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.965 -2.145 25067 5909 1 10 . 1 1 66 66 ASP CB C 66 41.017 41.017 41.902 -0.885 25067 5910 1 10 . 1 1 66 66 ASP H H 66 8.226 8.226 8.402 -0.176 25067 5911 1 10 . 1 1 67 67 ASP N N 67 118.859 118.859 122.150 -3.291 25067 5912 1 10 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.353 -0.110 25067 5913 1 10 . 1 1 67 67 ASP C C 67 178.121 178.121 177.799 0.322 25067 5914 1 10 . 1 1 67 67 ASP CA C 67 58.473 58.473 56.798 1.675 25067 5915 1 10 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.203 -0.136 25067 5916 1 10 . 1 1 67 67 ASP H H 67 8.529 8.529 8.882 -0.353 25067 5917 1 10 . 1 1 68 68 ASP N N 68 119.187 119.187 119.116 0.071 25067 5918 1 10 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.403 -0.063 25067 5919 1 10 . 1 1 68 68 ASP C C 68 177.807 177.807 177.916 -0.109 25067 5920 1 10 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.480 0.001 25067 5921 1 10 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.636 0.823 25067 5922 1 10 . 1 1 68 68 ASP H H 68 8.244 8.244 8.567 -0.323 25067 5923 1 10 . 1 1 69 69 ALA N N 69 122.537 122.537 121.908 0.629 25067 5924 1 10 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.265 -0.637 25067 5925 1 10 . 1 1 69 69 ALA C C 69 179.452 179.452 179.877 -0.425 25067 5926 1 10 . 1 1 69 69 ALA CA C 69 55.016 55.016 55.006 0.010 25067 5927 1 10 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.316 0.847 25067 5928 1 10 . 1 1 69 69 ALA H H 69 8.191 8.191 7.400 0.791 25067 5929 1 10 . 1 1 70 70 ARG N N 70 115.799 115.799 118.900 -3.101 25067 5930 1 10 . 1 1 70 70 ARG HA H 70 3.723 3.723 4.113 -0.390 25067 5931 1 10 . 1 1 70 70 ARG C C 70 178.183 178.183 178.203 -0.020 25067 5932 1 10 . 1 1 70 70 ARG CA C 70 60.348 60.348 58.699 1.649 25067 5933 1 10 . 1 1 70 70 ARG CB C 70 30.612 30.612 29.997 0.615 25067 5934 1 10 . 1 1 70 70 ARG H H 70 8.419 8.419 7.910 0.509 25067 5935 1 10 . 1 1 71 71 LYS N N 71 118.170 118.170 119.343 -1.173 25067 5936 1 10 . 1 1 71 71 LYS HA H 71 3.837 3.837 4.003 -0.166 25067 5937 1 10 . 1 1 71 71 LYS C C 71 179.891 179.891 178.685 1.206 25067 5938 1 10 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.562 0.088 25067 5939 1 10 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.337 0.083 25067 5940 1 10 . 1 1 71 71 LYS H H 71 7.781 7.781 8.011 -0.230 25067 5941 1 10 . 1 1 72 72 LYS N N 72 119.730 119.730 118.007 1.723 25067 5942 1 10 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.184 -0.448 25067 5943 1 10 . 1 1 72 72 LYS C C 72 178.874 178.874 178.692 0.182 25067 5944 1 10 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.904 0.669 25067 5945 1 10 . 1 1 72 72 LYS CB C 72 32.393 32.393 32.243 0.150 25067 5946 1 10 . 1 1 72 72 LYS H H 72 7.835 7.835 8.055 -0.220 25067 5947 1 10 . 1 1 73 73 ALA N N 73 123.068 123.068 122.501 0.567 25067 5948 1 10 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.616 0.139 25067 5949 1 10 . 1 1 73 73 ALA C C 73 178.246 178.246 179.054 -0.808 25067 5950 1 10 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.324 1.026 25067 5951 1 10 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.340 0.306 25067 5952 1 10 . 1 1 73 73 ALA H H 73 8.343 8.343 7.906 0.437 25067 5953 1 10 . 1 1 74 74 LYS N N 74 117.936 117.936 119.390 -1.454 25067 5954 1 10 . 1 1 74 74 LYS HA H 74 3.644 3.644 4.004 -0.360 25067 5955 1 10 . 1 1 74 74 LYS C C 74 177.694 177.694 178.337 -0.643 25067 5956 1 10 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.498 0.823 25067 5957 1 10 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.151 0.524 25067 5958 1 10 . 1 1 74 74 LYS H H 74 7.934 7.934 7.723 0.211 25067 5959 1 10 . 1 1 75 75 LYS N N 75 116.863 116.863 119.428 -2.565 25067 5960 1 10 . 1 1 75 75 LYS HA H 75 3.979 3.979 3.962 0.017 25067 5961 1 10 . 1 1 75 75 LYS C C 75 178.884 178.884 178.569 0.315 25067 5962 1 10 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.503 -0.094 25067 5963 1 10 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.204 0.293 25067 5964 1 10 . 1 1 75 75 LYS H H 75 7.371 7.371 7.683 -0.312 25067 5965 1 10 . 1 1 76 76 TRP N N 76 121.108 121.108 121.656 -0.548 25067 5966 1 10 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.432 -0.235 25067 5967 1 10 . 1 1 76 76 TRP C C 76 177.618 177.618 178.118 -0.500 25067 5968 1 10 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.047 0.679 25067 5969 1 10 . 1 1 76 76 TRP CB C 76 29.993 29.993 28.992 1.001 25067 5970 1 10 . 1 1 76 76 TRP H H 76 8.156 8.156 7.966 0.190 25067 5971 1 10 . 1 1 77 77 ALA N N 77 120.099 120.099 120.782 -0.683 25067 5972 1 10 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.578 0.521 25067 5973 1 10 . 1 1 77 77 ALA C C 77 179.125 179.125 179.859 -0.734 25067 5974 1 10 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.715 0.933 25067 5975 1 10 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.188 0.131 25067 5976 1 10 . 1 1 77 77 ALA H H 77 8.883 8.883 8.030 0.853 25067 5977 1 10 . 1 1 78 78 LEU N N 78 116.584 116.584 119.872 -3.288 25067 5978 1 10 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.860 0.271 25067 5979 1 10 . 1 1 78 78 LEU C C 78 179.828 179.828 179.127 0.701 25067 5980 1 10 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.975 -0.132 25067 5981 1 10 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.817 -0.119 25067 5982 1 10 . 1 1 78 78 LEU H H 78 8.238 8.238 8.204 0.034 25067 5983 1 10 . 1 1 79 79 GLU N N 79 121.435 121.435 119.366 2.069 25067 5984 1 10 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.899 0.204 25067 5985 1 10 . 1 1 79 79 GLU C C 79 180.004 180.004 179.254 0.750 25067 5986 1 10 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.478 -0.109 25067 5987 1 10 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.465 -0.344 25067 5988 1 10 . 1 1 79 79 GLU H H 79 8.296 8.296 7.847 0.449 25067 5989 1 10 . 1 1 80 80 VAL N N 80 122.863 122.863 119.835 3.028 25067 5990 1 10 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.412 -0.057 25067 5991 1 10 . 1 1 80 80 VAL C C 80 177.044 177.044 177.536 -0.492 25067 5992 1 10 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.639 -0.170 25067 5993 1 10 . 1 1 80 80 VAL CB C 80 30.698 30.698 31.010 -0.312 25067 5994 1 10 . 1 1 80 80 VAL H H 80 8.603 8.603 7.890 0.713 25067 5995 1 10 . 1 1 81 81 ALA N N 81 122.490 122.490 121.925 0.565 25067 5996 1 10 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.809 -0.076 25067 5997 1 10 . 1 1 81 81 ALA C C 81 178.529 178.529 179.517 -0.988 25067 5998 1 10 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.473 0.172 25067 5999 1 10 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.221 0.194 25067 6000 1 10 . 1 1 81 81 ALA H H 81 7.684 7.684 7.877 -0.193 25067 6001 1 10 . 1 1 82 82 ASN N N 82 114.569 114.569 115.086 -0.517 25067 6002 1 10 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.474 -0.096 25067 6003 1 10 . 1 1 82 82 ASN C C 82 177.505 177.505 177.573 -0.068 25067 6004 1 10 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.989 0.214 25067 6005 1 10 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.395 0.439 25067 6006 1 10 . 1 1 82 82 ASN H H 82 7.752 7.752 8.296 -0.544 25067 6007 1 10 . 1 1 83 83 LYS N N 83 121.384 121.384 120.381 1.003 25067 6008 1 10 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.120 -0.026 25067 6009 1 10 . 1 1 83 83 LYS C C 83 179.037 179.037 178.394 0.643 25067 6010 1 10 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.160 0.915 25067 6011 1 10 . 1 1 83 83 LYS CB C 83 32.148 32.148 32.079 0.069 25067 6012 1 10 . 1 1 83 83 LYS H H 83 8.343 8.343 7.747 0.596 25067 6013 1 10 . 1 1 84 84 ILE N N 84 120.298 120.298 118.342 1.956 25067 6014 1 10 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.860 -0.375 25067 6015 1 10 . 1 1 84 84 ILE C C 84 177.063 177.063 177.466 -0.403 25067 6016 1 10 . 1 1 84 84 ILE CA C 84 66.188 66.188 63.306 2.881 25067 6017 1 10 . 1 1 84 84 ILE CB C 84 38.388 38.388 38.299 0.089 25067 6018 1 10 . 1 1 84 84 ILE H H 84 8.496 8.496 7.850 0.646 25067 6019 1 10 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.931 -0.115 25067 6020 1 10 . 1 1 85 85 ALA C C 85 179.891 179.891 179.316 0.575 25067 6021 1 10 . 1 1 85 85 ALA CA C 85 55.791 55.791 54.916 0.875 25067 6022 1 10 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.568 -0.520 25067 6023 1 10 . 1 1 85 85 ALA H H 85 7.768 7.768 7.854 -0.086 25067 6024 1 10 . 1 1 86 86 ASN N N 86 116.155 116.155 117.392 -1.237 25067 6025 1 10 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.415 0.120 25067 6026 1 10 . 1 1 86 86 ASN C C 86 178.423 178.423 178.100 0.323 25067 6027 1 10 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.791 0.315 25067 6028 1 10 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.667 0.117 25067 6029 1 10 . 1 1 86 86 ASN H H 86 8.355 8.355 8.120 0.235 25067 6030 1 10 . 1 1 87 87 GLU N N 87 120.806 120.806 119.925 0.881 25067 6031 1 10 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.109 0.067 25067 6032 1 10 . 1 1 87 87 GLU C C 87 178.381 178.381 177.495 0.886 25067 6033 1 10 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.638 0.271 25067 6034 1 10 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.117 0.534 25067 6035 1 10 . 1 1 87 87 GLU H H 87 8.431 8.431 8.453 -0.022 25067 6036 1 10 . 1 1 88 88 LEU N N 88 115.825 115.825 117.197 -1.372 25067 6037 1 10 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.283 0.073 25067 6038 1 10 . 1 1 88 88 LEU C C 88 177.442 177.442 177.081 0.361 25067 6039 1 10 . 1 1 88 88 LEU CA C 88 54.577 54.577 53.587 0.990 25067 6040 1 10 . 1 1 88 88 LEU CB C 88 43.500 43.500 40.814 2.686 25067 6041 1 10 . 1 1 88 88 LEU H H 88 7.547 7.547 7.566 -0.019 25067 6042 1 10 . 1 1 89 89 GLY N N 89 109.579 109.579 107.737 1.842 25067 6043 1 10 . 1 1 89 89 GLY C C 89 174.321 174.321 174.435 -0.114 25067 6044 1 10 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.962 0.546 25067 6045 1 10 . 1 1 89 89 GLY H H 89 7.934 7.934 7.641 0.293 25067 6046 1 10 . 1 1 90 90 ALA N N 90 120.990 120.990 122.215 -1.225 25067 6047 1 10 . 1 1 90 90 ALA HA H 90 4.649 4.649 3.938 0.711 25067 6048 1 10 . 1 1 90 90 ALA C C 90 177.053 177.053 176.202 0.851 25067 6049 1 10 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.633 -2.559 25067 6050 1 10 . 1 1 90 90 ALA CB C 90 21.819 21.819 18.062 3.757 25067 6051 1 10 . 1 1 90 90 ALA H H 90 8.017 8.017 7.723 0.294 25067 6052 1 10 . 1 1 91 91 LYS N N 91 120.615 120.615 119.417 1.198 25067 6053 1 10 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.445 -0.029 25067 6054 1 10 . 1 1 91 91 LYS C C 91 175.765 175.765 175.506 0.259 25067 6055 1 10 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.054 1.125 25067 6056 1 10 . 1 1 91 91 LYS CB C 91 32.742 32.742 34.034 -1.292 25067 6057 1 10 . 1 1 91 91 LYS H H 91 8.366 8.366 8.243 0.123 25067 6058 1 10 . 1 1 92 92 GLN N N 92 119.273 119.273 118.775 0.498 25067 6059 1 10 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.444 0.717 25067 6060 1 10 . 1 1 92 92 GLN C C 92 175.136 175.136 175.043 0.093 25067 6061 1 10 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.181 -1.071 25067 6062 1 10 . 1 1 92 92 GLN CB C 92 30.681 30.681 30.450 0.231 25067 6063 1 10 . 1 1 92 92 GLN H H 92 8.495 8.495 8.342 0.153 25067 6064 1 10 . 1 1 93 93 SER N N 93 117.003 117.003 115.210 1.793 25067 6065 1 10 . 1 1 93 93 SER HA H 93 4.781 4.781 4.838 -0.057 25067 6066 1 10 . 1 1 93 93 SER C C 93 173.735 173.735 174.083 -0.348 25067 6067 1 10 . 1 1 93 93 SER CA C 93 57.819 57.819 56.995 0.825 25067 6068 1 10 . 1 1 93 93 SER CB C 93 64.648 64.648 65.456 -0.808 25067 6069 1 10 . 1 1 93 93 SER H H 93 8.441 8.441 8.343 0.098 25067 6070 1 10 . 1 1 94 94 THR HA H 94 4.781 4.781 4.517 0.264 25067 6071 1 10 . 1 1 94 94 THR CA C 94 61.111 61.111 61.112 -0.001 25067 6072 1 10 . 1 1 94 94 THR CB C 94 71.032 71.032 70.211 0.821 25067 6073 1 10 . 1 1 95 95 THR N N 95 119.923 119.923 118.755 1.168 25067 6074 1 10 . 1 1 95 95 THR HA H 95 5.098 5.098 4.685 0.413 25067 6075 1 10 . 1 1 95 95 THR CA C 95 60.438 60.438 60.152 0.286 25067 6076 1 10 . 1 1 95 95 THR CB C 95 70.780 70.780 70.402 0.378 25067 6077 1 10 . 1 1 95 95 THR H H 95 8.762 8.762 8.206 0.556 25067 6078 1 10 . 1 1 96 96 THR HA H 96 4.367 4.367 4.387 -0.020 25067 6079 1 10 . 1 1 96 96 THR CA C 96 61.740 61.740 62.807 -1.067 25067 6080 1 10 . 1 1 96 96 THR CB C 96 70.992 70.992 69.095 1.897 25067 6081 1 10 . 1 1 97 97 THR N N 97 120.315 120.315 120.448 -0.133 25067 6082 1 10 . 1 1 97 97 THR HA H 97 5.363 5.363 4.874 0.489 25067 6083 1 10 . 1 1 97 97 THR CA C 97 61.379 61.379 61.016 0.363 25067 6084 1 10 . 1 1 97 97 THR CB C 97 71.216 71.216 69.985 1.231 25067 6085 1 10 . 1 1 97 97 THR H H 97 8.999 8.999 8.492 0.507 25067 6086 1 10 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.742 0.450 25067 6087 1 10 . 1 1 98 98 ASP C C 98 175.672 175.672 175.300 0.372 25067 6088 1 10 . 1 1 98 98 ASP CA C 98 52.593 52.593 54.919 -2.326 25067 6089 1 10 . 1 1 98 98 ASP CB C 98 41.735 41.735 41.379 0.356 25067 6090 1 10 . 1 1 99 99 GLY N N 99 111.919 111.919 108.767 3.152 25067 6091 1 10 . 1 1 99 99 GLY C C 99 174.049 174.049 173.395 0.654 25067 6092 1 10 . 1 1 99 99 GLY CA C 99 45.026 45.026 45.518 -0.492 25067 6093 1 10 . 1 1 99 99 GLY H H 99 7.817 7.817 8.441 -0.624 25067 6094 1 10 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.442 0.112 25067 6095 1 10 . 1 1 100 100 ASP C C 100 177.518 177.518 176.074 1.444 25067 6096 1 10 . 1 1 100 100 ASP CA C 100 57.488 57.488 54.613 2.875 25067 6097 1 10 . 1 1 100 100 ASP CB C 100 41.637 41.637 39.652 1.985 25067 6098 1 10 . 1 1 101 101 THR N N 101 112.835 112.835 113.937 -1.102 25067 6099 1 10 . 1 1 101 101 THR HA H 101 4.613 4.613 4.032 0.581 25067 6100 1 10 . 1 1 101 101 THR C C 101 173.003 173.003 173.423 -0.420 25067 6101 1 10 . 1 1 101 101 THR CA C 101 60.857 60.857 62.870 -2.013 25067 6102 1 10 . 1 1 101 101 THR CB C 101 70.589 70.589 68.618 1.971 25067 6103 1 10 . 1 1 101 101 THR H H 101 7.819 7.819 8.149 -0.330 25067 6104 1 10 . 1 1 102 102 PHE N N 102 126.633 126.633 128.648 -2.015 25067 6105 1 10 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.906 -0.015 25067 6106 1 10 . 1 1 102 102 PHE C C 102 173.286 173.286 173.986 -0.700 25067 6107 1 10 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.735 -0.562 25067 6108 1 10 . 1 1 102 102 PHE CB C 102 40.719 40.719 40.887 -0.168 25067 6109 1 10 . 1 1 102 102 PHE H H 102 8.581 8.581 8.539 0.042 25067 6110 1 10 . 1 1 103 103 GLU N N 103 125.528 125.528 126.927 -1.399 25067 6111 1 10 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.081 0.156 25067 6112 1 10 . 1 1 103 103 GLU C C 103 173.851 173.851 175.094 -1.243 25067 6113 1 10 . 1 1 103 103 GLU CA C 103 54.060 54.060 53.922 0.138 25067 6114 1 10 . 1 1 103 103 GLU CB C 103 34.318 34.318 34.120 0.198 25067 6115 1 10 . 1 1 103 103 GLU H H 103 7.986 7.986 8.678 -0.692 25067 6116 1 10 . 1 1 104 104 VAL N N 104 124.582 124.582 121.111 3.471 25067 6117 1 10 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.396 0.248 25067 6118 1 10 . 1 1 104 104 VAL C C 104 173.763 173.763 174.259 -0.496 25067 6119 1 10 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.097 -1.134 25067 6120 1 10 . 1 1 104 104 VAL CB C 104 34.370 34.370 34.032 0.338 25067 6121 1 10 . 1 1 104 104 VAL H H 104 9.245 9.245 8.587 0.658 25067 6122 1 10 . 1 1 105 105 GLU N N 105 127.755 127.755 129.025 -1.270 25067 6123 1 10 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.822 0.430 25067 6124 1 10 . 1 1 105 105 GLU C C 105 174.572 174.572 175.032 -0.460 25067 6125 1 10 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.460 -0.101 25067 6126 1 10 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.698 1.119 25067 6127 1 10 . 1 1 105 105 GLU H H 105 9.040 9.040 8.664 0.376 25067 6128 1 10 . 1 1 106 106 VAL N N 106 127.452 127.452 127.918 -0.466 25067 6129 1 10 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.246 0.522 25067 6130 1 10 . 1 1 106 106 VAL C C 106 174.692 174.692 174.613 0.079 25067 6131 1 10 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.392 -0.969 25067 6132 1 10 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.278 1.864 25067 6133 1 10 . 1 1 106 106 VAL H H 106 9.315 9.315 8.577 0.738 25067 6134 1 10 . 1 1 107 107 ILE N N 107 127.006 127.006 128.581 -1.575 25067 6135 1 10 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.401 0.216 25067 6136 1 10 . 1 1 107 107 ILE C C 107 176.187 176.187 175.157 1.030 25067 6137 1 10 . 1 1 107 107 ILE CA C 107 60.406 60.406 58.856 1.550 25067 6138 1 10 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.913 1.608 25067 6139 1 10 . 1 1 107 107 ILE H H 107 8.814 8.814 8.546 0.268 25067 6140 1 10 . 1 1 108 108 LEU N N 108 128.313 128.313 128.699 -0.386 25067 6141 1 10 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.589 0.168 25067 6142 1 10 . 1 1 108 108 LEU C C 108 176.058 176.058 176.253 -0.195 25067 6143 1 10 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.438 0.686 25067 6144 1 10 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.831 1.243 25067 6145 1 10 . 1 1 108 108 LEU H H 108 8.652 8.652 8.498 0.154 25067 6146 1 10 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.258 0.274 25067 6147 1 10 . 1 1 109 109 GLU C C 109 175.408 175.408 175.432 -0.024 25067 6148 1 10 . 1 1 109 109 GLU CA C 109 55.361 55.361 56.533 -1.172 25067 6149 1 10 . 1 1 109 109 GLU CB C 109 30.647 30.647 28.960 1.687 25067 6150 1 10 . 1 1 110 110 LEU N N 110 125.467 125.467 124.879 0.588 25067 6151 1 10 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.640 -0.239 25067 6152 1 10 . 1 1 110 110 LEU C C 110 176.854 176.854 177.375 -0.521 25067 6153 1 10 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.093 0.876 25067 6154 1 10 . 1 1 110 110 LEU CB C 110 42.515 42.515 43.529 -1.014 25067 6155 1 10 . 1 1 110 110 LEU H H 110 8.402 8.402 8.033 0.369 25067 6156 1 10 . 1 1 111 111 GLU N N 111 121.575 121.575 125.423 -3.848 25067 6157 1 10 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.176 0.085 25067 6158 1 10 . 1 1 111 111 GLU CA C 111 56.521 56.521 58.603 -2.082 25067 6159 1 10 . 1 1 111 111 GLU CB C 111 30.291 30.291 30.287 0.004 25067 6160 1 10 . 1 1 111 111 GLU H H 111 8.607 8.607 8.924 -0.317 25067 6161 1 11 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.597 -0.477 25067 6162 1 11 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.794 -0.633 25067 6163 1 11 . 1 1 2 2 ALA CB C 2 19.392 19.392 19.916 -0.523 25067 6164 1 11 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.240 0.138 25067 6165 1 11 . 1 1 4 4 LYS C C 4 176.563 176.563 175.942 0.621 25067 6166 1 11 . 1 1 4 4 LYS CA C 4 56.384 56.384 57.266 -0.882 25067 6167 1 11 . 1 1 4 4 LYS CB C 4 33.156 33.156 32.686 0.470 25067 6168 1 11 . 1 1 5 5 GLU N N 5 122.511 122.511 124.386 -1.875 25067 6169 1 11 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.607 -0.230 25067 6170 1 11 . 1 1 5 5 GLU C C 5 176.099 176.099 175.424 0.675 25067 6171 1 11 . 1 1 5 5 GLU CA C 5 56.384 56.384 55.073 1.311 25067 6172 1 11 . 1 1 5 5 GLU CB C 5 29.803 29.803 33.122 -3.319 25067 6173 1 11 . 1 1 5 5 GLU H H 5 8.601 8.601 8.580 0.021 25067 6174 1 11 . 1 1 6 6 LEU N N 6 124.063 124.063 124.355 -0.292 25067 6175 1 11 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.516 -0.117 25067 6176 1 11 . 1 1 6 6 LEU C C 6 175.082 175.082 176.469 -1.387 25067 6177 1 11 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.907 -0.182 25067 6178 1 11 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.889 0.324 25067 6179 1 11 . 1 1 6 6 LEU H H 6 8.409 8.409 8.752 -0.343 25067 6180 1 11 . 1 1 7 7 ARG N N 7 122.244 122.244 124.186 -1.942 25067 6181 1 11 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.237 0.208 25067 6182 1 11 . 1 1 7 7 ARG C C 7 174.768 174.768 174.570 0.198 25067 6183 1 11 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.705 -1.015 25067 6184 1 11 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.533 1.557 25067 6185 1 11 . 1 1 7 7 ARG H H 7 8.016 8.016 8.289 -0.273 25067 6186 1 11 . 1 1 8 8 VAL N N 8 123.767 123.767 121.487 2.280 25067 6187 1 11 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.802 -0.510 25067 6188 1 11 . 1 1 8 8 VAL C C 8 173.562 173.562 174.636 -1.074 25067 6189 1 11 . 1 1 8 8 VAL CA C 8 60.842 60.842 59.698 1.144 25067 6190 1 11 . 1 1 8 8 VAL CB C 8 34.184 34.184 35.040 -0.856 25067 6191 1 11 . 1 1 8 8 VAL H H 8 8.659 8.659 8.143 0.516 25067 6192 1 11 . 1 1 9 9 GLU N N 9 127.779 127.779 127.790 -0.011 25067 6193 1 11 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.657 0.233 25067 6194 1 11 . 1 1 9 9 GLU C C 9 175.446 175.446 175.254 0.192 25067 6195 1 11 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.943 0.540 25067 6196 1 11 . 1 1 9 9 GLU CB C 9 30.750 30.750 31.294 -0.544 25067 6197 1 11 . 1 1 9 9 GLU H H 9 8.513 8.513 8.306 0.207 25067 6198 1 11 . 1 1 10 10 ILE N N 10 127.770 127.770 126.802 0.968 25067 6199 1 11 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.288 0.612 25067 6200 1 11 . 1 1 10 10 ILE C C 10 174.981 174.981 175.145 -0.164 25067 6201 1 11 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.247 -0.823 25067 6202 1 11 . 1 1 10 10 ILE CB C 10 38.645 38.645 36.964 1.681 25067 6203 1 11 . 1 1 10 10 ILE H H 10 9.199 9.199 8.937 0.262 25067 6204 1 11 . 1 1 11 11 LYS N N 11 125.866 125.866 130.189 -4.323 25067 6205 1 11 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.882 0.556 25067 6206 1 11 . 1 1 11 11 LYS C C 11 175.835 175.835 174.995 0.840 25067 6207 1 11 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.020 0.797 25067 6208 1 11 . 1 1 11 11 LYS CB C 11 35.060 35.060 33.767 1.293 25067 6209 1 11 . 1 1 11 11 LYS H H 11 9.257 9.257 8.736 0.521 25067 6210 1 11 . 1 1 12 12 ILE N N 12 121.799 121.799 127.965 -6.166 25067 6211 1 11 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.293 1.006 25067 6212 1 11 . 1 1 12 12 ILE C C 12 175.132 175.132 174.630 0.502 25067 6213 1 11 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.534 0.600 25067 6214 1 11 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.091 2.575 25067 6215 1 11 . 1 1 12 12 ILE H H 12 9.075 9.075 8.821 0.254 25067 6216 1 11 . 1 1 13 13 ASP N N 13 129.263 129.263 128.198 1.065 25067 6217 1 11 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.676 0.533 25067 6218 1 11 . 1 1 13 13 ASP C C 13 175.898 175.898 175.302 0.596 25067 6219 1 11 . 1 1 13 13 ASP CA C 13 52.731 52.731 54.239 -1.508 25067 6220 1 11 . 1 1 13 13 ASP CB C 13 43.750 43.750 41.015 2.735 25067 6221 1 11 . 1 1 13 13 ASP H H 13 9.415 9.415 8.283 1.132 25067 6222 1 11 . 1 1 14 14 CYS N N 14 122.767 122.767 124.722 -1.955 25067 6223 1 11 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.664 0.268 25067 6224 1 11 . 1 1 14 14 CYS C C 14 174.228 174.228 175.152 -0.924 25067 6225 1 11 . 1 1 14 14 CYS CA C 14 58.269 58.269 57.752 0.517 25067 6226 1 11 . 1 1 14 14 CYS CB C 14 28.447 28.447 27.762 0.685 25067 6227 1 11 . 1 1 14 14 CYS H H 14 9.274 9.274 8.197 1.077 25067 6228 1 11 . 1 1 15 15 GLY N N 15 110.606 110.606 110.640 -0.034 25067 6229 1 11 . 1 1 15 15 GLY C C 15 173.986 173.986 172.661 1.325 25067 6230 1 11 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.388 0.504 25067 6231 1 11 . 1 1 15 15 GLY H H 15 8.919 8.919 8.050 0.869 25067 6232 1 11 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.950 -0.154 25067 6233 1 11 . 1 1 16 16 ASN C C 16 175.157 175.157 174.534 0.623 25067 6234 1 11 . 1 1 16 16 ASN CA C 16 53.181 53.181 52.654 0.527 25067 6235 1 11 . 1 1 16 16 ASN CB C 16 38.955 38.955 39.396 -0.441 25067 6236 1 11 . 1 1 17 17 ASP N N 17 118.767 118.767 125.183 -6.416 25067 6237 1 11 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.537 0.052 25067 6238 1 11 . 1 1 17 17 ASP C C 17 175.493 175.493 176.349 -0.856 25067 6239 1 11 . 1 1 17 17 ASP CA C 17 54.533 54.533 55.621 -1.088 25067 6240 1 11 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.662 -0.670 25067 6241 1 11 . 1 1 17 17 ASP H H 17 8.409 8.409 8.820 -0.411 25067 6242 1 11 . 1 1 18 18 ASP N N 18 119.912 119.912 116.023 3.889 25067 6243 1 11 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.595 0.011 25067 6244 1 11 . 1 1 18 18 ASP C C 18 175.870 175.870 174.591 1.279 25067 6245 1 11 . 1 1 18 18 ASP CA C 18 54.242 54.242 54.849 -0.607 25067 6246 1 11 . 1 1 18 18 ASP CB C 18 41.116 41.116 41.607 -0.491 25067 6247 1 11 . 1 1 18 18 ASP H H 18 8.291 8.291 8.426 -0.135 25067 6248 1 11 . 1 1 19 19 LYS N N 19 120.828 120.828 119.259 1.569 25067 6249 1 11 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.553 -0.114 25067 6250 1 11 . 1 1 19 19 LYS C C 19 176.121 176.121 174.808 1.313 25067 6251 1 11 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.199 0.447 25067 6252 1 11 . 1 1 19 19 LYS CB C 19 33.015 33.015 35.170 -2.155 25067 6253 1 11 . 1 1 19 19 LYS H H 19 8.140 8.140 7.783 0.357 25067 6254 1 11 . 1 1 20 20 GLU N N 20 123.292 123.292 121.227 2.065 25067 6255 1 11 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.400 0.140 25067 6256 1 11 . 1 1 20 20 GLU C C 20 176.413 176.413 177.188 -0.775 25067 6257 1 11 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.403 0.115 25067 6258 1 11 . 1 1 20 20 GLU CB C 20 30.543 30.543 30.399 0.144 25067 6259 1 11 . 1 1 20 20 GLU H H 20 8.645 8.645 8.502 0.143 25067 6260 1 11 . 1 1 21 21 THR N N 21 119.747 119.747 118.088 1.659 25067 6261 1 11 . 1 1 21 21 THR HA H 21 4.517 4.517 4.395 0.122 25067 6262 1 11 . 1 1 21 21 THR C C 21 173.148 173.148 174.132 -0.984 25067 6263 1 11 . 1 1 21 21 THR CA C 21 61.989 61.989 61.725 0.264 25067 6264 1 11 . 1 1 21 21 THR CB C 21 70.485 70.485 68.432 2.053 25067 6265 1 11 . 1 1 21 21 THR H H 21 8.589 8.589 8.738 -0.149 25067 6266 1 11 . 1 1 22 22 THR N N 22 119.539 119.539 117.451 2.088 25067 6267 1 11 . 1 1 22 22 THR HA H 22 5.342 5.342 5.563 -0.221 25067 6268 1 11 . 1 1 22 22 THR C C 22 173.148 173.148 173.878 -0.730 25067 6269 1 11 . 1 1 22 22 THR CA C 22 60.977 60.977 59.354 1.623 25067 6270 1 11 . 1 1 22 22 THR CB C 22 70.490 70.490 71.271 -0.781 25067 6271 1 11 . 1 1 22 22 THR H H 22 8.191 8.191 7.912 0.279 25067 6272 1 11 . 1 1 23 23 TYR N N 23 123.279 123.279 123.797 -0.518 25067 6273 1 11 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.624 0.030 25067 6274 1 11 . 1 1 23 23 TYR C C 23 173.400 173.400 174.867 -1.467 25067 6275 1 11 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.167 -0.185 25067 6276 1 11 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.176 2.142 25067 6277 1 11 . 1 1 23 23 TYR H H 23 9.268 9.268 8.882 0.386 25067 6278 1 11 . 1 1 24 24 ASP N N 24 121.837 121.837 123.274 -1.437 25067 6279 1 11 . 1 1 24 24 ASP HA H 24 4.844 4.844 4.951 -0.107 25067 6280 1 11 . 1 1 24 24 ASP C C 24 173.400 173.400 175.028 -1.628 25067 6281 1 11 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.125 0.344 25067 6282 1 11 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.453 0.488 25067 6283 1 11 . 1 1 24 24 ASP H H 24 8.484 8.484 8.656 -0.172 25067 6284 1 11 . 1 1 25 25 LEU N N 25 126.268 126.268 117.871 8.397 25067 6285 1 11 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.632 -0.532 25067 6286 1 11 . 1 1 25 25 LEU C C 25 174.677 174.677 174.245 0.432 25067 6287 1 11 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.487 -0.754 25067 6288 1 11 . 1 1 25 25 LEU CB C 25 42.626 42.626 45.441 -2.815 25067 6289 1 11 . 1 1 25 25 LEU H H 25 8.619 8.619 7.796 0.823 25067 6290 1 11 . 1 1 26 26 TYR N N 26 123.695 123.695 118.320 5.375 25067 6291 1 11 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.891 -0.256 25067 6292 1 11 . 1 1 26 26 TYR C C 26 176.833 176.833 175.608 1.225 25067 6293 1 11 . 1 1 26 26 TYR CA C 26 56.282 56.282 55.937 0.345 25067 6294 1 11 . 1 1 26 26 TYR CB C 26 38.143 38.143 39.807 -1.664 25067 6295 1 11 . 1 1 26 26 TYR H H 26 8.465 8.465 8.122 0.343 25067 6296 1 11 . 1 1 27 27 PHE N N 27 119.951 119.951 126.985 -7.034 25067 6297 1 11 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.304 0.482 25067 6298 1 11 . 1 1 27 27 PHE C C 27 176.205 176.205 175.253 0.952 25067 6299 1 11 . 1 1 27 27 PHE CA C 27 60.136 60.136 58.136 2.000 25067 6300 1 11 . 1 1 27 27 PHE CB C 27 38.455 38.455 38.458 -0.003 25067 6301 1 11 . 1 1 27 27 PHE H H 27 7.991 7.991 8.840 -0.849 25067 6302 1 11 . 1 1 28 28 SER N N 28 114.987 114.987 121.670 -6.683 25067 6303 1 11 . 1 1 28 28 SER HA H 28 4.455 4.455 4.427 0.028 25067 6304 1 11 . 1 1 28 28 SER C C 28 174.517 174.517 174.208 0.309 25067 6305 1 11 . 1 1 28 28 SER CA C 28 59.489 59.489 59.002 0.487 25067 6306 1 11 . 1 1 28 28 SER CB C 28 62.828 62.828 64.048 -1.220 25067 6307 1 11 . 1 1 28 28 SER H H 28 8.508 8.508 8.117 0.391 25067 6308 1 11 . 1 1 29 29 LYS N N 29 123.721 123.721 119.581 4.140 25067 6309 1 11 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.534 0.119 25067 6310 1 11 . 1 1 29 29 LYS C C 29 175.954 175.954 175.850 0.104 25067 6311 1 11 . 1 1 29 29 LYS CA C 29 54.695 54.695 54.260 0.435 25067 6312 1 11 . 1 1 29 29 LYS CB C 29 31.548 31.548 34.708 -3.160 25067 6313 1 11 . 1 1 29 29 LYS H H 29 7.723 7.723 7.286 0.437 25067 6314 1 11 . 1 1 30 30 ALA HA H 30 4.072 4.072 3.781 0.291 25067 6315 1 11 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.111 0.436 25067 6316 1 11 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.345 0.426 25067 6317 1 11 . 1 1 31 31 GLU N N 31 117.703 117.703 119.090 -1.387 25067 6318 1 11 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.011 0.167 25067 6319 1 11 . 1 1 31 31 GLU C C 31 179.251 179.251 179.072 0.179 25067 6320 1 11 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.698 -0.102 25067 6321 1 11 . 1 1 31 31 GLU CB C 31 28.599 28.599 28.680 -0.081 25067 6322 1 11 . 1 1 31 31 GLU H H 31 9.034 9.034 8.553 0.481 25067 6323 1 11 . 1 1 32 32 GLU N N 32 121.084 121.084 118.618 2.466 25067 6324 1 11 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.009 0.176 25067 6325 1 11 . 1 1 32 32 GLU C C 32 179.251 179.251 178.550 0.701 25067 6326 1 11 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.769 0.448 25067 6327 1 11 . 1 1 32 32 GLU CB C 32 29.331 29.331 28.470 0.861 25067 6328 1 11 . 1 1 32 32 GLU H H 32 8.046 8.046 8.281 -0.235 25067 6329 1 11 . 1 1 33 33 ALA N N 33 122.906 122.906 122.472 0.434 25067 6330 1 11 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.687 0.403 25067 6331 1 11 . 1 1 33 33 ALA C C 33 180.244 180.244 179.861 0.383 25067 6332 1 11 . 1 1 33 33 ALA CA C 33 55.519 55.519 54.987 0.532 25067 6333 1 11 . 1 1 33 33 ALA CB C 33 17.968 17.968 17.934 0.034 25067 6334 1 11 . 1 1 33 33 ALA H H 33 8.383 8.383 7.688 0.695 25067 6335 1 11 . 1 1 34 34 LYS N N 34 119.560 119.560 117.281 2.279 25067 6336 1 11 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.179 0.011 25067 6337 1 11 . 1 1 34 34 LYS C C 34 179.198 179.198 179.011 0.187 25067 6338 1 11 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.632 -0.151 25067 6339 1 11 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.300 0.152 25067 6340 1 11 . 1 1 34 34 LYS H H 34 7.885 7.885 7.803 0.082 25067 6341 1 11 . 1 1 35 35 GLU N N 35 121.053 121.053 120.909 0.144 25067 6342 1 11 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.176 0.005 25067 6343 1 11 . 1 1 35 35 GLU C C 35 179.288 179.288 178.866 0.422 25067 6344 1 11 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.062 0.329 25067 6345 1 11 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.195 0.149 25067 6346 1 11 . 1 1 35 35 GLU H H 35 8.042 8.042 7.387 0.655 25067 6347 1 11 . 1 1 36 36 LEU N N 36 121.053 121.053 120.396 0.657 25067 6348 1 11 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.195 0.042 25067 6349 1 11 . 1 1 36 36 LEU C C 36 177.982 177.982 179.806 -1.824 25067 6350 1 11 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.102 0.635 25067 6351 1 11 . 1 1 36 36 LEU CB C 36 41.941 41.941 40.808 1.133 25067 6352 1 11 . 1 1 36 36 LEU H H 36 8.434 8.434 8.209 0.225 25067 6353 1 11 . 1 1 37 37 LEU N N 37 120.035 120.035 121.631 -1.596 25067 6354 1 11 . 1 1 37 37 LEU HA H 37 3.616 3.616 4.059 -0.443 25067 6355 1 11 . 1 1 37 37 LEU C C 37 178.070 178.070 178.245 -0.175 25067 6356 1 11 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.808 0.741 25067 6357 1 11 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.693 0.455 25067 6358 1 11 . 1 1 37 37 LEU H H 37 7.883 7.883 8.762 -0.879 25067 6359 1 11 . 1 1 38 38 LYS N N 38 116.604 116.604 118.392 -1.788 25067 6360 1 11 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.897 -0.101 25067 6361 1 11 . 1 1 38 38 LYS C C 38 178.246 178.246 178.925 -0.679 25067 6362 1 11 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.980 -0.465 25067 6363 1 11 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.102 0.493 25067 6364 1 11 . 1 1 38 38 LYS H H 38 7.102 7.102 7.650 -0.548 25067 6365 1 11 . 1 1 39 39 LYS N N 39 118.823 118.823 119.950 -1.127 25067 6366 1 11 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.110 0.045 25067 6367 1 11 . 1 1 39 39 LYS C C 39 179.464 179.464 178.933 0.531 25067 6368 1 11 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.654 -0.528 25067 6369 1 11 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.400 0.294 25067 6370 1 11 . 1 1 39 39 LYS H H 39 7.752 7.752 7.540 0.212 25067 6371 1 11 . 1 1 40 40 VAL N N 40 119.336 119.336 118.958 0.378 25067 6372 1 11 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.306 0.047 25067 6373 1 11 . 1 1 40 40 VAL C C 40 178.612 178.612 177.792 0.820 25067 6374 1 11 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.110 0.226 25067 6375 1 11 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.133 0.019 25067 6376 1 11 . 1 1 40 40 VAL H H 40 8.925 8.925 7.954 0.971 25067 6377 1 11 . 1 1 41 41 ALA N N 41 120.709 120.709 122.720 -2.011 25067 6378 1 11 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.939 -0.044 25067 6379 1 11 . 1 1 41 41 ALA C C 41 179.163 179.163 179.427 -0.264 25067 6380 1 11 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.222 -0.197 25067 6381 1 11 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.376 0.319 25067 6382 1 11 . 1 1 41 41 ALA H H 41 8.001 8.001 7.864 0.137 25067 6383 1 11 . 1 1 42 42 GLU N N 42 117.330 117.330 116.900 0.430 25067 6384 1 11 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.005 -0.069 25067 6385 1 11 . 1 1 42 42 GLU C C 42 179.452 179.452 179.037 0.415 25067 6386 1 11 . 1 1 42 42 GLU CA C 42 59.611 59.611 58.677 0.934 25067 6387 1 11 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.372 0.367 25067 6388 1 11 . 1 1 42 42 GLU H H 42 8.197 8.197 7.979 0.218 25067 6389 1 11 . 1 1 43 43 LYS N N 43 119.586 119.586 119.716 -0.130 25067 6390 1 11 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.478 -0.280 25067 6391 1 11 . 1 1 43 43 LYS C C 43 179.595 179.595 179.071 0.524 25067 6392 1 11 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.615 1.154 25067 6393 1 11 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.898 0.173 25067 6394 1 11 . 1 1 43 43 LYS H H 43 8.119 8.119 8.088 0.031 25067 6395 1 11 . 1 1 44 44 ALA N N 44 121.948 121.948 121.669 0.279 25067 6396 1 11 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.095 0.171 25067 6397 1 11 . 1 1 44 44 ALA C C 44 178.937 178.937 179.542 -0.605 25067 6398 1 11 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.993 -0.003 25067 6399 1 11 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.017 -0.216 25067 6400 1 11 . 1 1 44 44 ALA H H 44 8.396 8.396 7.862 0.534 25067 6401 1 11 . 1 1 45 45 ALA N N 45 118.814 118.814 120.138 -1.324 25067 6402 1 11 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.890 0.067 25067 6403 1 11 . 1 1 45 45 ALA C C 45 178.887 178.887 179.335 -0.448 25067 6404 1 11 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.834 0.734 25067 6405 1 11 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.137 -0.110 25067 6406 1 11 . 1 1 45 45 ALA H H 45 8.519 8.519 7.797 0.722 25067 6407 1 11 . 1 1 46 46 ASP N N 46 116.930 116.930 119.361 -2.431 25067 6408 1 11 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.361 0.038 25067 6409 1 11 . 1 1 46 46 ASP C C 46 178.020 178.020 178.778 -0.758 25067 6410 1 11 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.521 0.119 25067 6411 1 11 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.416 1.420 25067 6412 1 11 . 1 1 46 46 ASP H H 46 7.852 7.852 8.051 -0.199 25067 6413 1 11 . 1 1 47 47 LYS N N 47 119.467 119.467 119.372 0.095 25067 6414 1 11 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.104 -0.011 25067 6415 1 11 . 1 1 47 47 LYS C C 47 178.924 178.924 179.035 -0.111 25067 6416 1 11 . 1 1 47 47 LYS CA C 47 59.672 59.672 59.065 0.607 25067 6417 1 11 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.175 0.336 25067 6418 1 11 . 1 1 47 47 LYS H H 47 7.692 7.692 7.467 0.225 25067 6419 1 11 . 1 1 48 48 ILE N N 48 119.929 119.929 118.720 1.209 25067 6420 1 11 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.997 -0.257 25067 6421 1 11 . 1 1 48 48 ILE C C 48 179.025 179.025 178.216 0.809 25067 6422 1 11 . 1 1 48 48 ILE CA C 48 64.978 64.978 63.229 1.749 25067 6423 1 11 . 1 1 48 48 ILE CB C 48 38.292 38.292 36.834 1.458 25067 6424 1 11 . 1 1 48 48 ILE H H 48 8.585 8.585 7.815 0.770 25067 6425 1 11 . 1 1 49 49 LYS N N 49 119.534 119.534 121.562 -2.028 25067 6426 1 11 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.110 -0.093 25067 6427 1 11 . 1 1 49 49 LYS C C 49 179.025 179.025 178.323 0.702 25067 6428 1 11 . 1 1 49 49 LYS CA C 49 59.647 59.647 59.235 0.412 25067 6429 1 11 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.677 -0.076 25067 6430 1 11 . 1 1 49 49 LYS H H 49 8.353 8.353 7.942 0.411 25067 6431 1 11 . 1 1 50 50 LYS N N 50 117.423 117.423 116.970 0.453 25067 6432 1 11 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.217 -0.001 25067 6433 1 11 . 1 1 50 50 LYS C C 50 178.510 178.510 178.473 0.037 25067 6434 1 11 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.173 0.324 25067 6435 1 11 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.929 0.393 25067 6436 1 11 . 1 1 50 50 LYS H H 50 7.996 7.996 7.957 0.039 25067 6437 1 11 . 1 1 51 51 GLN N N 51 115.137 115.137 119.166 -4.029 25067 6438 1 11 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.385 0.096 25067 6439 1 11 . 1 1 51 51 GLN C C 51 177.292 177.292 176.386 0.906 25067 6440 1 11 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.948 0.059 25067 6441 1 11 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.045 -1.105 25067 6442 1 11 . 1 1 51 51 GLN H H 51 8.384 8.384 7.922 0.462 25067 6443 1 11 . 1 1 52 52 GLY N N 52 109.119 109.119 108.619 0.500 25067 6444 1 11 . 1 1 52 52 GLY C C 52 174.391 174.391 174.957 -0.566 25067 6445 1 11 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.036 1.524 25067 6446 1 11 . 1 1 52 52 GLY H H 52 8.218 8.218 7.988 0.230 25067 6447 1 11 . 1 1 53 53 CYS N N 53 116.935 116.935 119.344 -2.409 25067 6448 1 11 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.257 0.228 25067 6449 1 11 . 1 1 53 53 CYS C C 53 173.989 173.989 175.443 -1.454 25067 6450 1 11 . 1 1 53 53 CYS CA C 53 58.148 58.148 58.880 -0.732 25067 6451 1 11 . 1 1 53 53 CYS CB C 53 28.714 28.714 27.831 0.883 25067 6452 1 11 . 1 1 53 53 CYS H H 53 7.623 7.623 7.783 -0.160 25067 6453 1 11 . 1 1 54 54 LYS N N 54 120.659 120.659 115.041 5.618 25067 6454 1 11 . 1 1 54 54 LYS HA H 54 4.500 4.500 3.954 0.546 25067 6455 1 11 . 1 1 54 54 LYS C C 54 174.793 174.793 175.228 -0.435 25067 6456 1 11 . 1 1 54 54 LYS CA C 54 56.326 56.326 57.702 -1.376 25067 6457 1 11 . 1 1 54 54 LYS CB C 54 33.710 33.710 31.617 2.093 25067 6458 1 11 . 1 1 54 54 LYS H H 54 8.765 8.765 8.344 0.421 25067 6459 1 11 . 1 1 55 55 ARG N N 55 117.927 117.927 118.301 -0.374 25067 6460 1 11 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.886 0.557 25067 6461 1 11 . 1 1 55 55 ARG C C 55 174.517 174.517 173.661 0.856 25067 6462 1 11 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.403 -0.813 25067 6463 1 11 . 1 1 55 55 ARG CB C 55 33.616 33.616 33.462 0.154 25067 6464 1 11 . 1 1 55 55 ARG H H 55 7.603 7.603 7.731 -0.128 25067 6465 1 11 . 1 1 56 56 VAL N N 56 122.079 122.079 125.684 -3.605 25067 6466 1 11 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.628 0.197 25067 6467 1 11 . 1 1 56 56 VAL C C 56 173.311 173.311 174.562 -1.251 25067 6468 1 11 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.166 0.119 25067 6469 1 11 . 1 1 56 56 VAL CB C 56 34.930 34.930 35.573 -0.643 25067 6470 1 11 . 1 1 56 56 VAL H H 56 8.853 8.853 8.928 -0.075 25067 6471 1 11 . 1 1 57 57 LYS N N 57 125.849 125.849 123.907 1.942 25067 6472 1 11 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.903 0.701 25067 6473 1 11 . 1 1 57 57 LYS C C 57 174.881 174.881 174.845 0.036 25067 6474 1 11 . 1 1 57 57 LYS CA C 57 54.738 54.738 54.951 -0.213 25067 6475 1 11 . 1 1 57 57 LYS CB C 57 35.935 35.935 36.627 -0.692 25067 6476 1 11 . 1 1 57 57 LYS H H 57 8.819 8.819 9.098 -0.279 25067 6477 1 11 . 1 1 58 58 ILE N N 58 125.213 125.213 123.082 2.131 25067 6478 1 11 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.409 0.758 25067 6479 1 11 . 1 1 58 58 ILE C C 58 174.981 174.981 174.163 0.818 25067 6480 1 11 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.572 0.024 25067 6481 1 11 . 1 1 58 58 ILE CB C 58 40.859 40.859 40.300 0.559 25067 6482 1 11 . 1 1 58 58 ILE H H 58 9.204 9.204 8.531 0.673 25067 6483 1 11 . 1 1 59 59 ARG N N 59 124.047 124.047 128.328 -4.281 25067 6484 1 11 . 1 1 59 59 ARG HA H 59 6.101 6.101 4.797 1.304 25067 6485 1 11 . 1 1 59 59 ARG C C 59 175.144 175.144 174.215 0.929 25067 6486 1 11 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.817 -0.726 25067 6487 1 11 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.704 2.331 25067 6488 1 11 . 1 1 59 59 ARG H H 59 9.467 9.467 8.673 0.794 25067 6489 1 11 . 1 1 60 60 PHE N N 60 113.223 113.223 126.625 -13.402 25067 6490 1 11 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.240 -0.036 25067 6491 1 11 . 1 1 60 60 PHE C C 60 173.110 173.110 173.306 -0.196 25067 6492 1 11 . 1 1 60 60 PHE CA C 60 56.931 56.931 55.651 1.280 25067 6493 1 11 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.420 -1.040 25067 6494 1 11 . 1 1 60 60 PHE H H 60 8.451 8.451 8.517 -0.066 25067 6495 1 11 . 1 1 61 61 GLU N N 61 121.333 121.333 127.536 -6.203 25067 6496 1 11 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.554 0.090 25067 6497 1 11 . 1 1 61 61 GLU C C 61 177.147 177.147 175.853 1.294 25067 6498 1 11 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.826 -0.861 25067 6499 1 11 . 1 1 61 61 GLU CB C 61 30.698 30.698 31.222 -0.524 25067 6500 1 11 . 1 1 61 61 GLU H H 61 9.572 9.572 8.892 0.680 25067 6501 1 11 . 1 1 62 62 LYS N N 62 121.311 121.311 124.426 -3.115 25067 6502 1 11 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.420 -0.077 25067 6503 1 11 . 1 1 62 62 LYS C C 62 177.398 177.398 178.325 -0.927 25067 6504 1 11 . 1 1 62 62 LYS CA C 62 58.185 58.185 56.126 2.059 25067 6505 1 11 . 1 1 62 62 LYS CB C 62 32.937 32.937 33.121 -0.184 25067 6506 1 11 . 1 1 62 62 LYS H H 62 8.160 8.160 8.635 -0.475 25067 6507 1 11 . 1 1 63 63 LYS N N 63 120.742 120.742 121.211 -0.469 25067 6508 1 11 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.103 0.015 25067 6509 1 11 . 1 1 63 63 LYS C C 63 177.015 177.015 177.940 -0.925 25067 6510 1 11 . 1 1 63 63 LYS CA C 63 58.693 58.693 58.821 -0.128 25067 6511 1 11 . 1 1 63 63 LYS CB C 63 31.677 31.677 32.179 -0.502 25067 6512 1 11 . 1 1 63 63 LYS H H 63 8.028 8.028 7.774 0.254 25067 6513 1 11 . 1 1 64 64 GLY C C 64 174.039 174.039 173.914 0.125 25067 6514 1 11 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.042 -0.179 25067 6515 1 11 . 1 1 65 65 LEU N N 65 119.849 119.849 120.468 -0.619 25067 6516 1 11 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.448 0.176 25067 6517 1 11 . 1 1 65 65 LEU C C 65 177.493 177.493 176.796 0.697 25067 6518 1 11 . 1 1 65 65 LEU CA C 65 54.128 54.128 54.220 -0.092 25067 6519 1 11 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.546 1.140 25067 6520 1 11 . 1 1 65 65 LEU H H 65 7.836 7.836 7.162 0.674 25067 6521 1 11 . 1 1 66 66 ASP N N 66 123.296 123.296 123.654 -0.358 25067 6522 1 11 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.459 0.213 25067 6523 1 11 . 1 1 66 66 ASP C C 66 175.471 175.471 176.838 -1.367 25067 6524 1 11 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.603 -1.783 25067 6525 1 11 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.703 -1.686 25067 6526 1 11 . 1 1 66 66 ASP H H 66 8.226 8.226 8.444 -0.218 25067 6527 1 11 . 1 1 67 67 ASP N N 67 118.859 118.859 123.264 -4.405 25067 6528 1 11 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.222 0.021 25067 6529 1 11 . 1 1 67 67 ASP C C 67 178.121 178.121 178.062 0.059 25067 6530 1 11 . 1 1 67 67 ASP CA C 67 58.473 58.473 58.062 0.411 25067 6531 1 11 . 1 1 67 67 ASP CB C 67 41.067 41.067 40.779 0.288 25067 6532 1 11 . 1 1 67 67 ASP H H 67 8.529 8.529 8.718 -0.189 25067 6533 1 11 . 1 1 68 68 ASP N N 68 119.187 119.187 118.886 0.301 25067 6534 1 11 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.461 -0.121 25067 6535 1 11 . 1 1 68 68 ASP C C 68 177.807 177.807 177.687 0.120 25067 6536 1 11 . 1 1 68 68 ASP CA C 68 57.481 57.481 56.961 0.520 25067 6537 1 11 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.993 0.466 25067 6538 1 11 . 1 1 68 68 ASP H H 68 8.244 8.244 8.141 0.103 25067 6539 1 11 . 1 1 69 69 ALA N N 69 122.537 122.537 122.141 0.396 25067 6540 1 11 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.068 -0.440 25067 6541 1 11 . 1 1 69 69 ALA C C 69 179.452 179.452 179.358 0.094 25067 6542 1 11 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.884 0.132 25067 6543 1 11 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.441 0.722 25067 6544 1 11 . 1 1 69 69 ALA H H 69 8.191 8.191 7.664 0.527 25067 6545 1 11 . 1 1 70 70 ARG N N 70 115.799 115.799 118.568 -2.769 25067 6546 1 11 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.713 0.010 25067 6547 1 11 . 1 1 70 70 ARG C C 70 178.183 178.183 177.874 0.309 25067 6548 1 11 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.053 1.295 25067 6549 1 11 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.086 0.526 25067 6550 1 11 . 1 1 70 70 ARG H H 70 8.419 8.419 8.363 0.056 25067 6551 1 11 . 1 1 71 71 LYS N N 71 118.170 118.170 119.615 -1.445 25067 6552 1 11 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.918 -0.081 25067 6553 1 11 . 1 1 71 71 LYS C C 71 179.891 179.891 178.861 1.030 25067 6554 1 11 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.555 0.095 25067 6555 1 11 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.249 0.170 25067 6556 1 11 . 1 1 71 71 LYS H H 71 7.781 7.781 7.795 -0.014 25067 6557 1 11 . 1 1 72 72 LYS N N 72 119.730 119.730 118.731 0.999 25067 6558 1 11 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.119 -0.383 25067 6559 1 11 . 1 1 72 72 LYS C C 72 178.874 178.874 179.030 -0.156 25067 6560 1 11 . 1 1 72 72 LYS CA C 72 59.573 59.573 59.250 0.323 25067 6561 1 11 . 1 1 72 72 LYS CB C 72 32.393 32.393 32.567 -0.174 25067 6562 1 11 . 1 1 72 72 LYS H H 72 7.835 7.835 7.867 -0.032 25067 6563 1 11 . 1 1 73 73 ALA N N 73 123.068 123.068 121.386 1.682 25067 6564 1 11 . 1 1 73 73 ALA HA H 73 3.755 3.755 4.056 -0.301 25067 6565 1 11 . 1 1 73 73 ALA C C 73 178.246 178.246 179.140 -0.894 25067 6566 1 11 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.655 0.695 25067 6567 1 11 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.427 0.220 25067 6568 1 11 . 1 1 73 73 ALA H H 73 8.343 8.343 7.596 0.747 25067 6569 1 11 . 1 1 74 74 LYS N N 74 117.936 117.936 119.234 -1.298 25067 6570 1 11 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.969 -0.325 25067 6571 1 11 . 1 1 74 74 LYS C C 74 177.694 177.694 178.508 -0.814 25067 6572 1 11 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.401 0.920 25067 6573 1 11 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.090 0.585 25067 6574 1 11 . 1 1 74 74 LYS H H 74 7.934 7.934 7.895 0.039 25067 6575 1 11 . 1 1 75 75 LYS N N 75 116.863 116.863 120.104 -3.241 25067 6576 1 11 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.066 -0.087 25067 6577 1 11 . 1 1 75 75 LYS C C 75 178.884 178.884 178.381 0.503 25067 6578 1 11 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.663 -0.254 25067 6579 1 11 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.307 0.190 25067 6580 1 11 . 1 1 75 75 LYS H H 75 7.371 7.371 7.862 -0.491 25067 6581 1 11 . 1 1 76 76 TRP N N 76 121.108 121.108 121.173 -0.065 25067 6582 1 11 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.302 -0.105 25067 6583 1 11 . 1 1 76 76 TRP C C 76 177.618 177.618 177.926 -0.308 25067 6584 1 11 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.495 0.231 25067 6585 1 11 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.541 0.452 25067 6586 1 11 . 1 1 76 76 TRP H H 76 8.156 8.156 8.191 -0.035 25067 6587 1 11 . 1 1 77 77 ALA N N 77 120.099 120.099 121.263 -1.164 25067 6588 1 11 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.833 0.266 25067 6589 1 11 . 1 1 77 77 ALA C C 77 179.125 179.125 179.877 -0.752 25067 6590 1 11 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.077 0.571 25067 6591 1 11 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.200 0.119 25067 6592 1 11 . 1 1 77 77 ALA H H 77 8.883 8.883 8.267 0.616 25067 6593 1 11 . 1 1 78 78 LEU N N 78 116.584 116.584 118.059 -1.475 25067 6594 1 11 . 1 1 78 78 LEU HA H 78 4.131 4.131 4.061 0.070 25067 6595 1 11 . 1 1 78 78 LEU C C 78 179.828 179.828 179.273 0.555 25067 6596 1 11 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.186 0.657 25067 6597 1 11 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.697 0.001 25067 6598 1 11 . 1 1 78 78 LEU H H 78 8.238 8.238 7.675 0.563 25067 6599 1 11 . 1 1 79 79 GLU N N 79 121.435 121.435 119.603 1.832 25067 6600 1 11 . 1 1 79 79 GLU HA H 79 4.103 4.103 4.058 0.045 25067 6601 1 11 . 1 1 79 79 GLU C C 79 180.004 180.004 179.342 0.662 25067 6602 1 11 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.125 0.245 25067 6603 1 11 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.030 0.091 25067 6604 1 11 . 1 1 79 79 GLU H H 79 8.296 8.296 8.212 0.084 25067 6605 1 11 . 1 1 80 80 VAL N N 80 122.863 122.863 120.393 2.470 25067 6606 1 11 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.449 -0.094 25067 6607 1 11 . 1 1 80 80 VAL C C 80 177.044 177.044 177.573 -0.529 25067 6608 1 11 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.626 -0.157 25067 6609 1 11 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.885 -0.187 25067 6610 1 11 . 1 1 80 80 VAL H H 80 8.603 8.603 8.098 0.505 25067 6611 1 11 . 1 1 81 81 ALA N N 81 122.490 122.490 122.060 0.430 25067 6612 1 11 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.836 -0.103 25067 6613 1 11 . 1 1 81 81 ALA C C 81 178.529 178.529 179.469 -0.940 25067 6614 1 11 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.548 0.097 25067 6615 1 11 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.218 0.197 25067 6616 1 11 . 1 1 81 81 ALA H H 81 7.684 7.684 7.498 0.186 25067 6617 1 11 . 1 1 82 82 ASN N N 82 114.569 114.569 115.413 -0.844 25067 6618 1 11 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.466 -0.088 25067 6619 1 11 . 1 1 82 82 ASN C C 82 177.505 177.505 177.861 -0.356 25067 6620 1 11 . 1 1 82 82 ASN CA C 82 56.203 56.203 56.041 0.162 25067 6621 1 11 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.436 0.398 25067 6622 1 11 . 1 1 82 82 ASN H H 82 7.752 7.752 8.230 -0.478 25067 6623 1 11 . 1 1 83 83 LYS N N 83 121.384 121.384 121.072 0.312 25067 6624 1 11 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.091 0.003 25067 6625 1 11 . 1 1 83 83 LYS C C 83 179.037 179.037 178.570 0.467 25067 6626 1 11 . 1 1 83 83 LYS CA C 83 59.075 59.075 59.119 -0.044 25067 6627 1 11 . 1 1 83 83 LYS CB C 83 32.148 32.148 32.403 -0.255 25067 6628 1 11 . 1 1 83 83 LYS H H 83 8.343 8.343 7.755 0.588 25067 6629 1 11 . 1 1 84 84 ILE N N 84 120.298 120.298 118.843 1.455 25067 6630 1 11 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.784 -0.299 25067 6631 1 11 . 1 1 84 84 ILE C C 84 177.063 177.063 178.055 -0.992 25067 6632 1 11 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.048 1.140 25067 6633 1 11 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.702 0.686 25067 6634 1 11 . 1 1 84 84 ILE H H 84 8.496 8.496 8.073 0.423 25067 6635 1 11 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.938 -0.122 25067 6636 1 11 . 1 1 85 85 ALA C C 85 179.891 179.891 179.092 0.799 25067 6637 1 11 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.075 0.716 25067 6638 1 11 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.343 -0.295 25067 6639 1 11 . 1 1 85 85 ALA H H 85 7.768 7.768 8.029 -0.261 25067 6640 1 11 . 1 1 86 86 ASN N N 86 116.155 116.155 116.142 0.013 25067 6641 1 11 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.434 0.101 25067 6642 1 11 . 1 1 86 86 ASN C C 86 178.423 178.423 177.730 0.693 25067 6643 1 11 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.663 0.443 25067 6644 1 11 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.204 0.580 25067 6645 1 11 . 1 1 86 86 ASN H H 86 8.355 8.355 7.804 0.551 25067 6646 1 11 . 1 1 87 87 GLU N N 87 120.806 120.806 119.360 1.446 25067 6647 1 11 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.063 0.113 25067 6648 1 11 . 1 1 87 87 GLU C C 87 178.381 178.381 178.329 0.052 25067 6649 1 11 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.569 0.340 25067 6650 1 11 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.410 0.242 25067 6651 1 11 . 1 1 87 87 GLU H H 87 8.431 8.431 8.023 0.408 25067 6652 1 11 . 1 1 88 88 LEU N N 88 115.825 115.825 116.285 -0.460 25067 6653 1 11 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.518 -0.162 25067 6654 1 11 . 1 1 88 88 LEU C C 88 177.442 177.442 177.862 -0.420 25067 6655 1 11 . 1 1 88 88 LEU CA C 88 54.577 54.577 54.439 0.138 25067 6656 1 11 . 1 1 88 88 LEU CB C 88 43.500 43.500 41.876 1.624 25067 6657 1 11 . 1 1 88 88 LEU H H 88 7.547 7.547 7.604 -0.057 25067 6658 1 11 . 1 1 89 89 GLY N N 89 109.579 109.579 106.870 2.709 25067 6659 1 11 . 1 1 89 89 GLY C C 89 174.321 174.321 174.155 0.166 25067 6660 1 11 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.573 0.935 25067 6661 1 11 . 1 1 89 89 GLY H H 89 7.934 7.934 7.619 0.315 25067 6662 1 11 . 1 1 90 90 ALA N N 90 120.990 120.990 121.087 -0.097 25067 6663 1 11 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.566 0.083 25067 6664 1 11 . 1 1 90 90 ALA C C 90 177.053 177.053 175.884 1.169 25067 6665 1 11 . 1 1 90 90 ALA CA C 90 51.074 51.074 51.067 0.007 25067 6666 1 11 . 1 1 90 90 ALA CB C 90 21.819 21.819 20.952 0.867 25067 6667 1 11 . 1 1 90 90 ALA H H 90 8.017 8.017 7.691 0.326 25067 6668 1 11 . 1 1 91 91 LYS N N 91 120.615 120.615 117.456 3.159 25067 6669 1 11 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.390 0.026 25067 6670 1 11 . 1 1 91 91 LYS C C 91 175.765 175.765 176.555 -0.790 25067 6671 1 11 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.868 0.311 25067 6672 1 11 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.117 -0.375 25067 6673 1 11 . 1 1 91 91 LYS H H 91 8.366 8.366 8.374 -0.008 25067 6674 1 11 . 1 1 92 92 GLN N N 92 119.273 119.273 118.428 0.845 25067 6675 1 11 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.282 0.879 25067 6676 1 11 . 1 1 92 92 GLN C C 92 175.136 175.136 176.027 -0.891 25067 6677 1 11 . 1 1 92 92 GLN CA C 92 54.110 54.110 56.573 -2.463 25067 6678 1 11 . 1 1 92 92 GLN CB C 92 30.681 30.681 29.245 1.436 25067 6679 1 11 . 1 1 92 92 GLN H H 92 8.495 8.495 8.456 0.039 25067 6680 1 11 . 1 1 93 93 SER N N 93 117.003 117.003 112.133 4.870 25067 6681 1 11 . 1 1 93 93 SER HA H 93 4.781 4.781 4.840 -0.059 25067 6682 1 11 . 1 1 93 93 SER C C 93 173.735 173.735 174.058 -0.323 25067 6683 1 11 . 1 1 93 93 SER CA C 93 57.819 57.819 56.759 1.060 25067 6684 1 11 . 1 1 93 93 SER CB C 93 64.648 64.648 65.712 -1.064 25067 6685 1 11 . 1 1 93 93 SER H H 93 8.441 8.441 7.999 0.442 25067 6686 1 11 . 1 1 94 94 THR HA H 94 4.781 4.781 4.565 0.216 25067 6687 1 11 . 1 1 94 94 THR CA C 94 61.111 61.111 61.326 -0.215 25067 6688 1 11 . 1 1 94 94 THR CB C 94 71.032 71.032 70.294 0.738 25067 6689 1 11 . 1 1 95 95 THR N N 95 119.923 119.923 120.398 -0.475 25067 6690 1 11 . 1 1 95 95 THR HA H 95 5.098 5.098 4.574 0.524 25067 6691 1 11 . 1 1 95 95 THR CA C 95 60.438 60.438 60.511 -0.073 25067 6692 1 11 . 1 1 95 95 THR CB C 95 70.780 70.780 69.809 0.971 25067 6693 1 11 . 1 1 95 95 THR H H 95 8.762 8.762 8.479 0.283 25067 6694 1 11 . 1 1 96 96 THR HA H 96 4.367 4.367 4.532 -0.165 25067 6695 1 11 . 1 1 96 96 THR CA C 96 61.740 61.740 62.199 -0.459 25067 6696 1 11 . 1 1 96 96 THR CB C 96 70.992 70.992 69.821 1.171 25067 6697 1 11 . 1 1 97 97 THR N N 97 120.315 120.315 121.148 -0.833 25067 6698 1 11 . 1 1 97 97 THR HA H 97 5.363 5.363 4.630 0.733 25067 6699 1 11 . 1 1 97 97 THR CA C 97 61.379 61.379 61.475 -0.096 25067 6700 1 11 . 1 1 97 97 THR CB C 97 71.216 71.216 69.561 1.655 25067 6701 1 11 . 1 1 97 97 THR H H 97 8.999 8.999 8.649 0.350 25067 6702 1 11 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.774 0.418 25067 6703 1 11 . 1 1 98 98 ASP C C 98 175.672 175.672 177.647 -1.975 25067 6704 1 11 . 1 1 98 98 ASP CA C 98 52.593 52.593 53.266 -0.673 25067 6705 1 11 . 1 1 98 98 ASP CB C 98 41.735 41.735 41.697 0.038 25067 6706 1 11 . 1 1 99 99 GLY N N 99 111.919 111.919 108.716 3.203 25067 6707 1 11 . 1 1 99 99 GLY C C 99 174.049 174.049 174.737 -0.688 25067 6708 1 11 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.397 -1.371 25067 6709 1 11 . 1 1 99 99 GLY H H 99 7.817 7.817 8.182 -0.365 25067 6710 1 11 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.483 0.071 25067 6711 1 11 . 1 1 100 100 ASP C C 100 177.518 177.518 176.412 1.106 25067 6712 1 11 . 1 1 100 100 ASP CA C 100 57.488 57.488 56.536 0.952 25067 6713 1 11 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.519 0.118 25067 6714 1 11 . 1 1 101 101 THR N N 101 112.835 112.835 113.412 -0.577 25067 6715 1 11 . 1 1 101 101 THR HA H 101 4.613 4.613 4.605 0.008 25067 6716 1 11 . 1 1 101 101 THR C C 101 173.003 173.003 172.793 0.210 25067 6717 1 11 . 1 1 101 101 THR CA C 101 60.857 60.857 61.703 -0.846 25067 6718 1 11 . 1 1 101 101 THR CB C 101 70.589 70.589 71.832 -1.243 25067 6719 1 11 . 1 1 101 101 THR H H 101 7.819 7.819 7.923 -0.104 25067 6720 1 11 . 1 1 102 102 PHE N N 102 126.633 126.633 121.972 4.661 25067 6721 1 11 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.870 0.021 25067 6722 1 11 . 1 1 102 102 PHE C C 102 173.286 173.286 173.216 0.070 25067 6723 1 11 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.017 0.156 25067 6724 1 11 . 1 1 102 102 PHE CB C 102 40.719 40.719 42.244 -1.525 25067 6725 1 11 . 1 1 102 102 PHE H H 102 8.581 8.581 8.986 -0.405 25067 6726 1 11 . 1 1 103 103 GLU N N 103 125.528 125.528 127.873 -2.345 25067 6727 1 11 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.380 -0.143 25067 6728 1 11 . 1 1 103 103 GLU C C 103 173.851 173.851 174.616 -0.765 25067 6729 1 11 . 1 1 103 103 GLU CA C 103 54.060 54.060 53.949 0.111 25067 6730 1 11 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.405 0.913 25067 6731 1 11 . 1 1 103 103 GLU H H 103 7.986 7.986 8.688 -0.702 25067 6732 1 11 . 1 1 104 104 VAL N N 104 124.582 124.582 125.696 -1.114 25067 6733 1 11 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.100 0.544 25067 6734 1 11 . 1 1 104 104 VAL C C 104 173.763 173.763 173.997 -0.234 25067 6735 1 11 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.584 -1.621 25067 6736 1 11 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.215 1.155 25067 6737 1 11 . 1 1 104 104 VAL H H 104 9.245 9.245 8.722 0.523 25067 6738 1 11 . 1 1 105 105 GLU N N 105 127.755 127.755 128.565 -0.810 25067 6739 1 11 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.785 0.467 25067 6740 1 11 . 1 1 105 105 GLU C C 105 174.572 174.572 174.950 -0.378 25067 6741 1 11 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.508 -0.149 25067 6742 1 11 . 1 1 105 105 GLU CB C 105 32.818 32.818 32.011 0.807 25067 6743 1 11 . 1 1 105 105 GLU H H 105 9.040 9.040 8.607 0.433 25067 6744 1 11 . 1 1 106 106 VAL N N 106 127.452 127.452 127.624 -0.172 25067 6745 1 11 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.187 0.581 25067 6746 1 11 . 1 1 106 106 VAL C C 106 174.692 174.692 174.825 -0.133 25067 6747 1 11 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.657 -1.234 25067 6748 1 11 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.971 2.171 25067 6749 1 11 . 1 1 106 106 VAL H H 106 9.315 9.315 8.573 0.742 25067 6750 1 11 . 1 1 107 107 ILE N N 107 127.006 127.006 129.122 -2.116 25067 6751 1 11 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.165 0.452 25067 6752 1 11 . 1 1 107 107 ILE C C 107 176.187 176.187 175.488 0.699 25067 6753 1 11 . 1 1 107 107 ILE CA C 107 60.406 60.406 60.061 0.345 25067 6754 1 11 . 1 1 107 107 ILE CB C 107 38.521 38.521 37.487 1.034 25067 6755 1 11 . 1 1 107 107 ILE H H 107 8.814 8.814 8.472 0.342 25067 6756 1 11 . 1 1 108 108 LEU N N 108 128.313 128.313 130.078 -1.765 25067 6757 1 11 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.325 0.432 25067 6758 1 11 . 1 1 108 108 LEU C C 108 176.058 176.058 176.267 -0.209 25067 6759 1 11 . 1 1 108 108 LEU CA C 108 54.124 54.124 54.225 -0.101 25067 6760 1 11 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.276 1.798 25067 6761 1 11 . 1 1 108 108 LEU H H 108 8.652 8.652 8.175 0.477 25067 6762 1 11 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.302 0.230 25067 6763 1 11 . 1 1 109 109 GLU C C 109 175.408 175.408 174.975 0.433 25067 6764 1 11 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.467 -0.106 25067 6765 1 11 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.202 1.445 25067 6766 1 11 . 1 1 110 110 LEU N N 110 125.467 125.467 126.129 -0.662 25067 6767 1 11 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.243 0.158 25067 6768 1 11 . 1 1 110 110 LEU C C 110 176.854 176.854 176.280 0.574 25067 6769 1 11 . 1 1 110 110 LEU CA C 110 54.969 54.969 53.598 1.371 25067 6770 1 11 . 1 1 110 110 LEU CB C 110 42.515 42.515 39.822 2.693 25067 6771 1 11 . 1 1 110 110 LEU H H 110 8.402 8.402 7.842 0.560 25067 6772 1 11 . 1 1 111 111 GLU N N 111 121.575 121.575 119.888 1.687 25067 6773 1 11 . 1 1 111 111 GLU HA H 111 4.261 4.261 3.688 0.573 25067 6774 1 11 . 1 1 111 111 GLU CA C 111 56.521 56.521 56.515 0.006 25067 6775 1 11 . 1 1 111 111 GLU CB C 111 30.291 30.291 29.166 1.125 25067 6776 1 11 . 1 1 111 111 GLU H H 111 8.607 8.607 8.182 0.425 25067 6777 1 12 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.823 -0.703 25067 6778 1 12 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.252 -0.091 25067 6779 1 12 . 1 1 2 2 ALA CB C 2 19.392 19.392 20.928 -1.536 25067 6780 1 12 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.481 -0.103 25067 6781 1 12 . 1 1 4 4 LYS C C 4 176.563 176.563 176.274 0.289 25067 6782 1 12 . 1 1 4 4 LYS CA C 4 56.384 56.384 55.052 1.332 25067 6783 1 12 . 1 1 4 4 LYS CB C 4 33.156 33.156 34.472 -1.316 25067 6784 1 12 . 1 1 5 5 GLU N N 5 122.511 122.511 117.435 5.076 25067 6785 1 12 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.036 0.341 25067 6786 1 12 . 1 1 5 5 GLU C C 5 176.099 176.099 175.095 1.004 25067 6787 1 12 . 1 1 5 5 GLU CA C 5 56.384 56.384 58.528 -2.144 25067 6788 1 12 . 1 1 5 5 GLU CB C 5 29.803 29.803 29.156 0.647 25067 6789 1 12 . 1 1 5 5 GLU H H 5 8.601 8.601 8.635 -0.034 25067 6790 1 12 . 1 1 6 6 LEU N N 6 124.063 124.063 122.853 1.210 25067 6791 1 12 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.520 -0.121 25067 6792 1 12 . 1 1 6 6 LEU C C 6 175.082 175.082 175.538 -0.456 25067 6793 1 12 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.455 0.270 25067 6794 1 12 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.803 0.410 25067 6795 1 12 . 1 1 6 6 LEU H H 6 8.409 8.409 7.971 0.438 25067 6796 1 12 . 1 1 7 7 ARG N N 7 122.244 122.244 125.747 -3.503 25067 6797 1 12 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.489 -0.044 25067 6798 1 12 . 1 1 7 7 ARG C C 7 174.768 174.768 174.642 0.126 25067 6799 1 12 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.653 -0.963 25067 6800 1 12 . 1 1 7 7 ARG CB C 7 32.090 32.090 31.402 0.688 25067 6801 1 12 . 1 1 7 7 ARG H H 7 8.016 8.016 8.189 -0.173 25067 6802 1 12 . 1 1 8 8 VAL N N 8 123.767 123.767 127.433 -3.666 25067 6803 1 12 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.593 -0.301 25067 6804 1 12 . 1 1 8 8 VAL C C 8 173.562 173.562 174.911 -1.349 25067 6805 1 12 . 1 1 8 8 VAL CA C 8 60.842 60.842 62.582 -1.740 25067 6806 1 12 . 1 1 8 8 VAL CB C 8 34.184 34.184 33.001 1.183 25067 6807 1 12 . 1 1 8 8 VAL H H 8 8.659 8.659 8.500 0.159 25067 6808 1 12 . 1 1 9 9 GLU N N 9 127.779 127.779 128.936 -1.157 25067 6809 1 12 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.951 -0.061 25067 6810 1 12 . 1 1 9 9 GLU C C 9 175.446 175.446 175.131 0.315 25067 6811 1 12 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.998 0.485 25067 6812 1 12 . 1 1 9 9 GLU CB C 9 30.750 30.750 31.119 -0.369 25067 6813 1 12 . 1 1 9 9 GLU H H 9 8.513 8.513 9.070 -0.557 25067 6814 1 12 . 1 1 10 10 ILE N N 10 127.770 127.770 126.400 1.370 25067 6815 1 12 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.334 0.566 25067 6816 1 12 . 1 1 10 10 ILE C C 10 174.981 174.981 174.848 0.133 25067 6817 1 12 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.202 -0.778 25067 6818 1 12 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.062 1.583 25067 6819 1 12 . 1 1 10 10 ILE H H 10 9.199 9.199 8.666 0.533 25067 6820 1 12 . 1 1 11 11 LYS N N 11 125.866 125.866 129.080 -3.214 25067 6821 1 12 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.386 0.052 25067 6822 1 12 . 1 1 11 11 LYS C C 11 175.835 175.835 175.196 0.639 25067 6823 1 12 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.473 0.344 25067 6824 1 12 . 1 1 11 11 LYS CB C 11 35.060 35.060 36.231 -1.171 25067 6825 1 12 . 1 1 11 11 LYS H H 11 9.257 9.257 8.861 0.396 25067 6826 1 12 . 1 1 12 12 ILE N N 12 121.799 121.799 125.963 -4.164 25067 6827 1 12 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.419 0.880 25067 6828 1 12 . 1 1 12 12 ILE C C 12 175.132 175.132 174.175 0.957 25067 6829 1 12 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.688 0.446 25067 6830 1 12 . 1 1 12 12 ILE CB C 12 39.666 39.666 38.788 0.877 25067 6831 1 12 . 1 1 12 12 ILE H H 12 9.075 9.075 8.790 0.285 25067 6832 1 12 . 1 1 13 13 ASP N N 13 129.263 129.263 127.775 1.488 25067 6833 1 12 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.999 0.210 25067 6834 1 12 . 1 1 13 13 ASP C C 13 175.898 175.898 175.279 0.619 25067 6835 1 12 . 1 1 13 13 ASP CA C 13 52.731 52.731 54.066 -1.335 25067 6836 1 12 . 1 1 13 13 ASP CB C 13 43.750 43.750 41.072 2.678 25067 6837 1 12 . 1 1 13 13 ASP H H 13 9.415 9.415 8.709 0.706 25067 6838 1 12 . 1 1 14 14 CYS N N 14 122.767 122.767 123.732 -0.965 25067 6839 1 12 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.282 0.650 25067 6840 1 12 . 1 1 14 14 CYS C C 14 174.228 174.228 175.543 -1.315 25067 6841 1 12 . 1 1 14 14 CYS CA C 14 58.269 58.269 60.090 -1.821 25067 6842 1 12 . 1 1 14 14 CYS CB C 14 28.447 28.447 29.074 -0.627 25067 6843 1 12 . 1 1 14 14 CYS H H 14 9.274 9.274 8.796 0.478 25067 6844 1 12 . 1 1 15 15 GLY N N 15 110.606 110.606 108.441 2.165 25067 6845 1 12 . 1 1 15 15 GLY C C 15 173.986 173.986 174.110 -0.124 25067 6846 1 12 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.466 0.426 25067 6847 1 12 . 1 1 15 15 GLY H H 15 8.919 8.919 8.315 0.604 25067 6848 1 12 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.876 -0.080 25067 6849 1 12 . 1 1 16 16 ASN C C 16 175.157 175.157 174.567 0.590 25067 6850 1 12 . 1 1 16 16 ASN CA C 16 53.181 53.181 52.860 0.321 25067 6851 1 12 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.148 0.807 25067 6852 1 12 . 1 1 17 17 ASP N N 17 118.767 118.767 121.256 -2.489 25067 6853 1 12 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.783 -0.194 25067 6854 1 12 . 1 1 17 17 ASP C C 17 175.493 175.493 176.304 -0.811 25067 6855 1 12 . 1 1 17 17 ASP CA C 17 54.533 54.533 54.392 0.141 25067 6856 1 12 . 1 1 17 17 ASP CB C 17 40.992 40.992 39.694 1.298 25067 6857 1 12 . 1 1 17 17 ASP H H 17 8.409 8.409 7.699 0.710 25067 6858 1 12 . 1 1 18 18 ASP N N 18 119.912 119.912 121.546 -1.634 25067 6859 1 12 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.413 0.193 25067 6860 1 12 . 1 1 18 18 ASP C C 18 175.870 175.870 177.211 -1.341 25067 6861 1 12 . 1 1 18 18 ASP CA C 18 54.242 54.242 56.784 -2.542 25067 6862 1 12 . 1 1 18 18 ASP CB C 18 41.116 41.116 41.038 0.078 25067 6863 1 12 . 1 1 18 18 ASP H H 18 8.291 8.291 7.992 0.299 25067 6864 1 12 . 1 1 19 19 LYS N N 19 120.828 120.828 121.764 -0.936 25067 6865 1 12 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.258 0.181 25067 6866 1 12 . 1 1 19 19 LYS C C 19 176.121 176.121 175.589 0.532 25067 6867 1 12 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.407 0.239 25067 6868 1 12 . 1 1 19 19 LYS CB C 19 33.015 33.015 31.986 1.028 25067 6869 1 12 . 1 1 19 19 LYS H H 19 8.140 8.140 8.308 -0.168 25067 6870 1 12 . 1 1 20 20 GLU N N 20 123.292 123.292 124.815 -1.523 25067 6871 1 12 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.237 0.303 25067 6872 1 12 . 1 1 20 20 GLU C C 20 176.413 176.413 176.750 -0.337 25067 6873 1 12 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.558 -0.040 25067 6874 1 12 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.629 0.914 25067 6875 1 12 . 1 1 20 20 GLU H H 20 8.645 8.645 8.338 0.307 25067 6876 1 12 . 1 1 21 21 THR N N 21 119.747 119.747 124.201 -4.454 25067 6877 1 12 . 1 1 21 21 THR HA H 21 4.517 4.517 4.357 0.160 25067 6878 1 12 . 1 1 21 21 THR C C 21 173.148 173.148 173.271 -0.123 25067 6879 1 12 . 1 1 21 21 THR CA C 21 61.989 61.989 62.461 -0.472 25067 6880 1 12 . 1 1 21 21 THR CB C 21 70.485 70.485 68.904 1.581 25067 6881 1 12 . 1 1 21 21 THR H H 21 8.589 8.589 8.440 0.149 25067 6882 1 12 . 1 1 22 22 THR N N 22 119.539 119.539 122.456 -2.917 25067 6883 1 12 . 1 1 22 22 THR HA H 22 5.342 5.342 5.092 0.250 25067 6884 1 12 . 1 1 22 22 THR C C 22 173.148 173.148 173.343 -0.195 25067 6885 1 12 . 1 1 22 22 THR CA C 22 60.977 60.977 60.810 0.167 25067 6886 1 12 . 1 1 22 22 THR CB C 22 70.490 70.490 71.042 -0.552 25067 6887 1 12 . 1 1 22 22 THR H H 22 8.191 8.191 8.202 -0.011 25067 6888 1 12 . 1 1 23 23 TYR N N 23 123.279 123.279 125.631 -2.352 25067 6889 1 12 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.640 0.014 25067 6890 1 12 . 1 1 23 23 TYR C C 23 173.400 173.400 174.936 -1.536 25067 6891 1 12 . 1 1 23 23 TYR CA C 23 56.982 56.982 56.770 0.212 25067 6892 1 12 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.033 2.285 25067 6893 1 12 . 1 1 23 23 TYR H H 23 9.268 9.268 8.863 0.405 25067 6894 1 12 . 1 1 24 24 ASP N N 24 121.837 121.837 124.096 -2.259 25067 6895 1 12 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.371 -0.527 25067 6896 1 12 . 1 1 24 24 ASP C C 24 173.400 173.400 175.470 -2.070 25067 6897 1 12 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.008 0.461 25067 6898 1 12 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.203 0.738 25067 6899 1 12 . 1 1 24 24 ASP H H 24 8.484 8.484 8.725 -0.241 25067 6900 1 12 . 1 1 25 25 LEU N N 25 126.268 126.268 122.703 3.565 25067 6901 1 12 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.448 -0.348 25067 6902 1 12 . 1 1 25 25 LEU C C 25 174.677 174.677 176.083 -1.406 25067 6903 1 12 . 1 1 25 25 LEU CA C 25 52.733 52.733 55.159 -2.426 25067 6904 1 12 . 1 1 25 25 LEU CB C 25 42.626 42.626 43.424 -0.798 25067 6905 1 12 . 1 1 25 25 LEU H H 25 8.619 8.619 7.710 0.909 25067 6906 1 12 . 1 1 26 26 TYR N N 26 123.695 123.695 114.743 8.952 25067 6907 1 12 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.666 -0.031 25067 6908 1 12 . 1 1 26 26 TYR C C 26 176.833 176.833 175.347 1.486 25067 6909 1 12 . 1 1 26 26 TYR CA C 26 56.282 56.282 58.314 -2.032 25067 6910 1 12 . 1 1 26 26 TYR CB C 26 38.143 38.143 36.029 2.114 25067 6911 1 12 . 1 1 26 26 TYR H H 26 8.465 8.465 7.581 0.884 25067 6912 1 12 . 1 1 27 27 PHE N N 27 119.951 119.951 125.002 -5.051 25067 6913 1 12 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.496 0.290 25067 6914 1 12 . 1 1 27 27 PHE C C 27 176.205 176.205 174.310 1.895 25067 6915 1 12 . 1 1 27 27 PHE CA C 27 60.136 60.136 57.550 2.586 25067 6916 1 12 . 1 1 27 27 PHE CB C 27 38.455 38.455 41.723 -3.268 25067 6917 1 12 . 1 1 27 27 PHE H H 27 7.991 7.991 8.092 -0.101 25067 6918 1 12 . 1 1 28 28 SER N N 28 114.987 114.987 114.773 0.214 25067 6919 1 12 . 1 1 28 28 SER HA H 28 4.455 4.455 4.195 0.260 25067 6920 1 12 . 1 1 28 28 SER C C 28 174.517 174.517 172.412 2.105 25067 6921 1 12 . 1 1 28 28 SER CA C 28 59.489 59.489 57.667 1.822 25067 6922 1 12 . 1 1 28 28 SER CB C 28 62.828 62.828 64.282 -1.454 25067 6923 1 12 . 1 1 28 28 SER H H 28 8.508 8.508 7.295 1.213 25067 6924 1 12 . 1 1 29 29 LYS N N 29 123.721 123.721 120.127 3.594 25067 6925 1 12 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.432 0.221 25067 6926 1 12 . 1 1 29 29 LYS C C 29 175.954 175.954 176.040 -0.086 25067 6927 1 12 . 1 1 29 29 LYS CA C 29 54.695 54.695 53.944 0.751 25067 6928 1 12 . 1 1 29 29 LYS CB C 29 31.548 31.548 35.604 -4.056 25067 6929 1 12 . 1 1 29 29 LYS H H 29 7.723 7.723 6.992 0.731 25067 6930 1 12 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.312 -0.240 25067 6931 1 12 . 1 1 30 30 ALA CA C 30 55.547 55.547 54.961 0.586 25067 6932 1 12 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.265 0.506 25067 6933 1 12 . 1 1 31 31 GLU N N 31 117.703 117.703 118.127 -0.424 25067 6934 1 12 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.104 0.074 25067 6935 1 12 . 1 1 31 31 GLU C C 31 179.251 179.251 179.071 0.180 25067 6936 1 12 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.299 0.297 25067 6937 1 12 . 1 1 31 31 GLU CB C 31 28.599 28.599 28.606 -0.007 25067 6938 1 12 . 1 1 31 31 GLU H H 31 9.034 9.034 8.800 0.234 25067 6939 1 12 . 1 1 32 32 GLU N N 32 121.084 121.084 118.706 2.378 25067 6940 1 12 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.169 0.016 25067 6941 1 12 . 1 1 32 32 GLU C C 32 179.251 179.251 178.334 0.917 25067 6942 1 12 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.436 0.781 25067 6943 1 12 . 1 1 32 32 GLU CB C 32 29.331 29.331 28.626 0.705 25067 6944 1 12 . 1 1 32 32 GLU H H 32 8.046 8.046 8.013 0.033 25067 6945 1 12 . 1 1 33 33 ALA N N 33 122.906 122.906 123.789 -0.883 25067 6946 1 12 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.755 0.335 25067 6947 1 12 . 1 1 33 33 ALA C C 33 180.244 180.244 180.122 0.122 25067 6948 1 12 . 1 1 33 33 ALA CA C 33 55.519 55.519 54.933 0.586 25067 6949 1 12 . 1 1 33 33 ALA CB C 33 17.968 17.968 17.916 0.052 25067 6950 1 12 . 1 1 33 33 ALA H H 33 8.383 8.383 7.626 0.757 25067 6951 1 12 . 1 1 34 34 LYS N N 34 119.560 119.560 118.276 1.284 25067 6952 1 12 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.099 0.091 25067 6953 1 12 . 1 1 34 34 LYS C C 34 179.198 179.198 178.918 0.280 25067 6954 1 12 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.836 -0.355 25067 6955 1 12 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.309 0.143 25067 6956 1 12 . 1 1 34 34 LYS H H 34 7.885 7.885 8.124 -0.239 25067 6957 1 12 . 1 1 35 35 GLU N N 35 121.053 121.053 120.356 0.697 25067 6958 1 12 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.157 0.024 25067 6959 1 12 . 1 1 35 35 GLU C C 35 179.288 179.288 178.974 0.314 25067 6960 1 12 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.226 0.165 25067 6961 1 12 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.738 -0.394 25067 6962 1 12 . 1 1 35 35 GLU H H 35 8.042 8.042 7.512 0.530 25067 6963 1 12 . 1 1 36 36 LEU N N 36 121.053 121.053 120.599 0.454 25067 6964 1 12 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.179 0.058 25067 6965 1 12 . 1 1 36 36 LEU C C 36 177.982 177.982 179.489 -1.507 25067 6966 1 12 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.577 0.160 25067 6967 1 12 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.115 0.826 25067 6968 1 12 . 1 1 36 36 LEU H H 36 8.434 8.434 8.352 0.082 25067 6969 1 12 . 1 1 37 37 LEU N N 37 120.035 120.035 121.005 -0.970 25067 6970 1 12 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.946 -0.330 25067 6971 1 12 . 1 1 37 37 LEU C C 37 178.070 178.070 178.369 -0.299 25067 6972 1 12 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.809 0.740 25067 6973 1 12 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.896 0.252 25067 6974 1 12 . 1 1 37 37 LEU H H 37 7.883 7.883 8.653 -0.770 25067 6975 1 12 . 1 1 38 38 LYS N N 38 116.604 116.604 118.606 -2.002 25067 6976 1 12 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.970 -0.174 25067 6977 1 12 . 1 1 38 38 LYS C C 38 178.246 178.246 178.976 -0.730 25067 6978 1 12 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.426 0.089 25067 6979 1 12 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.244 0.351 25067 6980 1 12 . 1 1 38 38 LYS H H 38 7.102 7.102 7.686 -0.584 25067 6981 1 12 . 1 1 39 39 LYS N N 39 118.823 118.823 119.519 -0.696 25067 6982 1 12 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.061 0.094 25067 6983 1 12 . 1 1 39 39 LYS C C 39 179.464 179.464 178.826 0.638 25067 6984 1 12 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.489 -0.362 25067 6985 1 12 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.487 0.207 25067 6986 1 12 . 1 1 39 39 LYS H H 39 7.752 7.752 7.797 -0.045 25067 6987 1 12 . 1 1 40 40 VAL N N 40 119.336 119.336 119.353 -0.017 25067 6988 1 12 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.574 -0.221 25067 6989 1 12 . 1 1 40 40 VAL C C 40 178.612 178.612 177.756 0.856 25067 6990 1 12 . 1 1 40 40 VAL CA C 40 66.336 66.336 65.427 0.909 25067 6991 1 12 . 1 1 40 40 VAL CB C 40 31.152 31.152 30.746 0.406 25067 6992 1 12 . 1 1 40 40 VAL H H 40 8.925 8.925 7.947 0.978 25067 6993 1 12 . 1 1 41 41 ALA N N 41 120.709 120.709 122.757 -2.048 25067 6994 1 12 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.890 0.005 25067 6995 1 12 . 1 1 41 41 ALA C C 41 179.163 179.163 179.059 0.104 25067 6996 1 12 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.796 -0.771 25067 6997 1 12 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.310 0.385 25067 6998 1 12 . 1 1 41 41 ALA H H 41 8.001 8.001 7.840 0.161 25067 6999 1 12 . 1 1 42 42 GLU N N 42 117.330 117.330 117.305 0.025 25067 7000 1 12 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.018 -0.082 25067 7001 1 12 . 1 1 42 42 GLU C C 42 179.452 179.452 178.869 0.583 25067 7002 1 12 . 1 1 42 42 GLU CA C 42 59.611 59.611 58.486 1.125 25067 7003 1 12 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.066 0.673 25067 7004 1 12 . 1 1 42 42 GLU H H 42 8.197 8.197 8.058 0.139 25067 7005 1 12 . 1 1 43 43 LYS N N 43 119.586 119.586 120.480 -0.894 25067 7006 1 12 . 1 1 43 43 LYS HA H 43 4.198 4.198 3.949 0.249 25067 7007 1 12 . 1 1 43 43 LYS C C 43 179.595 179.595 178.967 0.628 25067 7008 1 12 . 1 1 43 43 LYS CA C 43 58.769 58.769 59.312 -0.543 25067 7009 1 12 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.211 -0.140 25067 7010 1 12 . 1 1 43 43 LYS H H 43 8.119 8.119 7.655 0.464 25067 7011 1 12 . 1 1 44 44 ALA N N 44 121.948 121.948 120.440 1.508 25067 7012 1 12 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.161 0.105 25067 7013 1 12 . 1 1 44 44 ALA C C 44 178.937 178.937 179.157 -0.220 25067 7014 1 12 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.714 0.276 25067 7015 1 12 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.486 -0.685 25067 7016 1 12 . 1 1 44 44 ALA H H 44 8.396 8.396 7.945 0.451 25067 7017 1 12 . 1 1 45 45 ALA N N 45 118.814 118.814 120.328 -1.514 25067 7018 1 12 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.906 0.051 25067 7019 1 12 . 1 1 45 45 ALA C C 45 178.887 178.887 178.812 0.075 25067 7020 1 12 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.962 0.606 25067 7021 1 12 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.072 -0.045 25067 7022 1 12 . 1 1 45 45 ALA H H 45 8.519 8.519 7.624 0.895 25067 7023 1 12 . 1 1 46 46 ASP N N 46 116.930 116.930 118.048 -1.118 25067 7024 1 12 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.377 0.022 25067 7025 1 12 . 1 1 46 46 ASP C C 46 178.020 178.020 178.231 -0.211 25067 7026 1 12 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.654 -0.014 25067 7027 1 12 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.821 1.015 25067 7028 1 12 . 1 1 46 46 ASP H H 46 7.852 7.852 7.892 -0.040 25067 7029 1 12 . 1 1 47 47 LYS N N 47 119.467 119.467 119.847 -0.380 25067 7030 1 12 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.092 0.001 25067 7031 1 12 . 1 1 47 47 LYS C C 47 178.924 178.924 179.164 -0.240 25067 7032 1 12 . 1 1 47 47 LYS CA C 47 59.672 59.672 59.291 0.382 25067 7033 1 12 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.192 0.319 25067 7034 1 12 . 1 1 47 47 LYS H H 47 7.692 7.692 7.442 0.250 25067 7035 1 12 . 1 1 48 48 ILE N N 48 119.929 119.929 118.157 1.772 25067 7036 1 12 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.694 0.046 25067 7037 1 12 . 1 1 48 48 ILE C C 48 179.025 179.025 177.970 1.055 25067 7038 1 12 . 1 1 48 48 ILE CA C 48 64.978 64.978 65.071 -0.093 25067 7039 1 12 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.643 0.649 25067 7040 1 12 . 1 1 48 48 ILE H H 48 8.585 8.585 7.685 0.900 25067 7041 1 12 . 1 1 49 49 LYS N N 49 119.534 119.534 120.224 -0.690 25067 7042 1 12 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.143 -0.126 25067 7043 1 12 . 1 1 49 49 LYS C C 49 179.025 179.025 177.983 1.042 25067 7044 1 12 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.839 0.808 25067 7045 1 12 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.598 0.003 25067 7046 1 12 . 1 1 49 49 LYS H H 49 8.353 8.353 7.735 0.618 25067 7047 1 12 . 1 1 50 50 LYS N N 50 117.423 117.423 116.186 1.237 25067 7048 1 12 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.191 0.025 25067 7049 1 12 . 1 1 50 50 LYS C C 50 178.510 178.510 177.655 0.855 25067 7050 1 12 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.452 0.045 25067 7051 1 12 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.514 -0.192 25067 7052 1 12 . 1 1 50 50 LYS H H 50 7.996 7.996 7.813 0.183 25067 7053 1 12 . 1 1 51 51 GLN N N 51 115.137 115.137 116.320 -1.183 25067 7054 1 12 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.513 -0.032 25067 7055 1 12 . 1 1 51 51 GLN C C 51 177.292 177.292 174.689 2.603 25067 7056 1 12 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.759 0.248 25067 7057 1 12 . 1 1 51 51 GLN CB C 51 29.940 29.940 32.236 -2.296 25067 7058 1 12 . 1 1 51 51 GLN H H 51 8.384 8.384 8.193 0.191 25067 7059 1 12 . 1 1 52 52 GLY N N 52 109.119 109.119 105.843 3.276 25067 7060 1 12 . 1 1 52 52 GLY C C 52 174.391 174.391 171.338 3.053 25067 7061 1 12 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.415 1.145 25067 7062 1 12 . 1 1 52 52 GLY H H 52 8.218 8.218 7.933 0.285 25067 7063 1 12 . 1 1 53 53 CYS N N 53 116.935 116.935 119.457 -2.522 25067 7064 1 12 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.885 -0.400 25067 7065 1 12 . 1 1 53 53 CYS C C 53 173.989 173.989 174.946 -0.957 25067 7066 1 12 . 1 1 53 53 CYS CA C 53 58.148 58.148 56.806 1.342 25067 7067 1 12 . 1 1 53 53 CYS CB C 53 28.714 28.714 28.815 -0.101 25067 7068 1 12 . 1 1 53 53 CYS H H 53 7.623 7.623 8.481 -0.858 25067 7069 1 12 . 1 1 54 54 LYS N N 54 120.659 120.659 122.063 -1.404 25067 7070 1 12 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.506 -0.006 25067 7071 1 12 . 1 1 54 54 LYS C C 54 174.793 174.793 176.914 -2.121 25067 7072 1 12 . 1 1 54 54 LYS CA C 54 56.326 56.326 58.152 -1.826 25067 7073 1 12 . 1 1 54 54 LYS CB C 54 33.710 33.710 33.116 0.594 25067 7074 1 12 . 1 1 54 54 LYS H H 54 8.765 8.765 8.416 0.349 25067 7075 1 12 . 1 1 55 55 ARG N N 55 117.927 117.927 118.284 -0.357 25067 7076 1 12 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.988 0.455 25067 7077 1 12 . 1 1 55 55 ARG C C 55 174.517 174.517 174.143 0.374 25067 7078 1 12 . 1 1 55 55 ARG CA C 55 54.589 54.589 54.210 0.379 25067 7079 1 12 . 1 1 55 55 ARG CB C 55 33.616 33.616 33.629 -0.013 25067 7080 1 12 . 1 1 55 55 ARG H H 55 7.603 7.603 7.741 -0.138 25067 7081 1 12 . 1 1 56 56 VAL N N 56 122.079 122.079 124.639 -2.560 25067 7082 1 12 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.630 0.195 25067 7083 1 12 . 1 1 56 56 VAL C C 56 173.311 173.311 174.147 -0.836 25067 7084 1 12 . 1 1 56 56 VAL CA C 56 60.285 60.285 61.220 -0.935 25067 7085 1 12 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.530 0.400 25067 7086 1 12 . 1 1 56 56 VAL H H 56 8.853 8.853 8.927 -0.074 25067 7087 1 12 . 1 1 57 57 LYS N N 57 125.849 125.849 128.020 -2.171 25067 7088 1 12 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.943 0.661 25067 7089 1 12 . 1 1 57 57 LYS C C 57 174.881 174.881 175.518 -0.637 25067 7090 1 12 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.142 -0.404 25067 7091 1 12 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.730 1.205 25067 7092 1 12 . 1 1 57 57 LYS H H 57 8.819 8.819 8.841 -0.022 25067 7093 1 12 . 1 1 58 58 ILE N N 58 125.213 125.213 126.144 -0.931 25067 7094 1 12 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.569 0.598 25067 7095 1 12 . 1 1 58 58 ILE C C 58 174.981 174.981 174.712 0.269 25067 7096 1 12 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.763 -0.167 25067 7097 1 12 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.626 2.233 25067 7098 1 12 . 1 1 58 58 ILE H H 58 9.204 9.204 8.895 0.309 25067 7099 1 12 . 1 1 59 59 ARG N N 59 124.047 124.047 128.960 -4.913 25067 7100 1 12 . 1 1 59 59 ARG HA H 59 6.101 6.101 4.785 1.316 25067 7101 1 12 . 1 1 59 59 ARG C C 59 175.144 175.144 173.836 1.308 25067 7102 1 12 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.998 -0.907 25067 7103 1 12 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.566 2.469 25067 7104 1 12 . 1 1 59 59 ARG H H 59 9.467 9.467 9.051 0.416 25067 7105 1 12 . 1 1 60 60 PHE N N 60 113.223 113.223 127.178 -13.955 25067 7106 1 12 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.448 -0.244 25067 7107 1 12 . 1 1 60 60 PHE C C 60 173.110 173.110 173.439 -0.329 25067 7108 1 12 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.377 0.554 25067 7109 1 12 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.662 -1.282 25067 7110 1 12 . 1 1 60 60 PHE H H 60 8.451 8.451 8.829 -0.378 25067 7111 1 12 . 1 1 61 61 GLU N N 61 121.333 121.333 125.823 -4.490 25067 7112 1 12 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.278 0.366 25067 7113 1 12 . 1 1 61 61 GLU C C 61 177.147 177.147 175.503 1.644 25067 7114 1 12 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.806 -0.841 25067 7115 1 12 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.444 0.254 25067 7116 1 12 . 1 1 61 61 GLU H H 61 9.572 9.572 7.611 1.961 25067 7117 1 12 . 1 1 62 62 LYS N N 62 121.311 121.311 120.660 0.651 25067 7118 1 12 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.522 -0.179 25067 7119 1 12 . 1 1 62 62 LYS C C 62 177.398 177.398 177.363 0.035 25067 7120 1 12 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.396 2.789 25067 7121 1 12 . 1 1 62 62 LYS CB C 62 32.937 32.937 34.461 -1.524 25067 7122 1 12 . 1 1 62 62 LYS H H 62 8.160 8.160 8.159 0.001 25067 7123 1 12 . 1 1 63 63 LYS N N 63 120.742 120.742 118.392 2.350 25067 7124 1 12 . 1 1 63 63 LYS HA H 63 4.118 4.118 3.883 0.235 25067 7125 1 12 . 1 1 63 63 LYS C C 63 177.015 177.015 176.238 0.777 25067 7126 1 12 . 1 1 63 63 LYS CA C 63 58.693 58.693 58.518 0.175 25067 7127 1 12 . 1 1 63 63 LYS CB C 63 31.677 31.677 31.543 0.134 25067 7128 1 12 . 1 1 63 63 LYS H H 63 8.028 8.028 8.205 -0.177 25067 7129 1 12 . 1 1 64 64 GLY C C 64 174.039 174.039 174.667 -0.628 25067 7130 1 12 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.787 0.076 25067 7131 1 12 . 1 1 65 65 LEU N N 65 119.849 119.849 119.246 0.603 25067 7132 1 12 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.674 -0.050 25067 7133 1 12 . 1 1 65 65 LEU C C 65 177.493 177.493 176.397 1.096 25067 7134 1 12 . 1 1 65 65 LEU CA C 65 54.128 54.128 54.462 -0.334 25067 7135 1 12 . 1 1 65 65 LEU CB C 65 43.686 43.686 41.928 1.758 25067 7136 1 12 . 1 1 65 65 LEU H H 65 7.836 7.836 7.512 0.324 25067 7137 1 12 . 1 1 66 66 ASP N N 66 123.296 123.296 119.484 3.812 25067 7138 1 12 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.528 0.144 25067 7139 1 12 . 1 1 66 66 ASP C C 66 175.471 175.471 176.960 -1.489 25067 7140 1 12 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.365 -1.545 25067 7141 1 12 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.502 -1.485 25067 7142 1 12 . 1 1 66 66 ASP H H 66 8.226 8.226 8.388 -0.162 25067 7143 1 12 . 1 1 67 67 ASP N N 67 118.859 118.859 124.139 -5.280 25067 7144 1 12 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.331 -0.088 25067 7145 1 12 . 1 1 67 67 ASP C C 67 178.121 178.121 177.663 0.458 25067 7146 1 12 . 1 1 67 67 ASP CA C 67 58.473 58.473 56.933 1.540 25067 7147 1 12 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.108 -0.042 25067 7148 1 12 . 1 1 67 67 ASP H H 67 8.529 8.529 8.791 -0.262 25067 7149 1 12 . 1 1 68 68 ASP N N 68 119.187 119.187 119.572 -0.385 25067 7150 1 12 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.430 -0.090 25067 7151 1 12 . 1 1 68 68 ASP C C 68 177.807 177.807 177.854 -0.047 25067 7152 1 12 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.500 -0.019 25067 7153 1 12 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.767 0.692 25067 7154 1 12 . 1 1 68 68 ASP H H 68 8.244 8.244 8.047 0.197 25067 7155 1 12 . 1 1 69 69 ALA N N 69 122.537 122.537 121.712 0.825 25067 7156 1 12 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.280 -0.652 25067 7157 1 12 . 1 1 69 69 ALA C C 69 179.452 179.452 179.673 -0.221 25067 7158 1 12 . 1 1 69 69 ALA CA C 69 55.016 55.016 55.073 -0.057 25067 7159 1 12 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.721 0.442 25067 7160 1 12 . 1 1 69 69 ALA H H 69 8.191 8.191 8.093 0.098 25067 7161 1 12 . 1 1 70 70 ARG N N 70 115.799 115.799 119.346 -3.547 25067 7162 1 12 . 1 1 70 70 ARG HA H 70 3.723 3.723 4.039 -0.316 25067 7163 1 12 . 1 1 70 70 ARG C C 70 178.183 178.183 177.924 0.259 25067 7164 1 12 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.637 0.711 25067 7165 1 12 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.217 0.395 25067 7166 1 12 . 1 1 70 70 ARG H H 70 8.419 8.419 8.201 0.218 25067 7167 1 12 . 1 1 71 71 LYS N N 71 118.170 118.170 118.647 -0.477 25067 7168 1 12 . 1 1 71 71 LYS HA H 71 3.837 3.837 4.016 -0.179 25067 7169 1 12 . 1 1 71 71 LYS C C 71 179.891 179.891 179.143 0.748 25067 7170 1 12 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.195 0.455 25067 7171 1 12 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.198 0.221 25067 7172 1 12 . 1 1 71 71 LYS H H 71 7.781 7.781 8.095 -0.314 25067 7173 1 12 . 1 1 72 72 LYS N N 72 119.730 119.730 119.403 0.327 25067 7174 1 12 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.091 -0.355 25067 7175 1 12 . 1 1 72 72 LYS C C 72 178.874 178.874 178.645 0.229 25067 7176 1 12 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.555 1.018 25067 7177 1 12 . 1 1 72 72 LYS CB C 72 32.393 32.393 32.062 0.331 25067 7178 1 12 . 1 1 72 72 LYS H H 72 7.835 7.835 8.251 -0.416 25067 7179 1 12 . 1 1 73 73 ALA N N 73 123.068 123.068 120.997 2.071 25067 7180 1 12 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.657 0.098 25067 7181 1 12 . 1 1 73 73 ALA C C 73 178.246 178.246 179.432 -1.186 25067 7182 1 12 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.782 0.568 25067 7183 1 12 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.864 -0.218 25067 7184 1 12 . 1 1 73 73 ALA H H 73 8.343 8.343 7.738 0.605 25067 7185 1 12 . 1 1 74 74 LYS N N 74 117.936 117.936 117.236 0.700 25067 7186 1 12 . 1 1 74 74 LYS HA H 74 3.644 3.644 2.841 0.803 25067 7187 1 12 . 1 1 74 74 LYS C C 74 177.694 177.694 178.196 -0.502 25067 7188 1 12 . 1 1 74 74 LYS CA C 74 60.321 60.321 58.659 1.662 25067 7189 1 12 . 1 1 74 74 LYS CB C 74 32.675 32.675 31.430 1.245 25067 7190 1 12 . 1 1 74 74 LYS H H 74 7.934 7.934 7.905 0.029 25067 7191 1 12 . 1 1 75 75 LYS N N 75 116.863 116.863 120.412 -3.549 25067 7192 1 12 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.053 -0.074 25067 7193 1 12 . 1 1 75 75 LYS C C 75 178.884 178.884 178.525 0.359 25067 7194 1 12 . 1 1 75 75 LYS CA C 75 59.409 59.409 58.817 0.592 25067 7195 1 12 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.567 -0.070 25067 7196 1 12 . 1 1 75 75 LYS H H 75 7.371 7.371 7.222 0.149 25067 7197 1 12 . 1 1 76 76 TRP N N 76 121.108 121.108 121.863 -0.755 25067 7198 1 12 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.308 -0.111 25067 7199 1 12 . 1 1 76 76 TRP C C 76 177.618 177.618 177.675 -0.057 25067 7200 1 12 . 1 1 76 76 TRP CA C 76 61.726 61.726 60.985 0.741 25067 7201 1 12 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.118 0.875 25067 7202 1 12 . 1 1 76 76 TRP H H 76 8.156 8.156 8.299 -0.143 25067 7203 1 12 . 1 1 77 77 ALA N N 77 120.099 120.099 120.624 -0.525 25067 7204 1 12 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.443 0.656 25067 7205 1 12 . 1 1 77 77 ALA C C 77 179.125 179.125 179.738 -0.613 25067 7206 1 12 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.739 0.909 25067 7207 1 12 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.023 0.296 25067 7208 1 12 . 1 1 77 77 ALA H H 77 8.883 8.883 8.059 0.824 25067 7209 1 12 . 1 1 78 78 LEU N N 78 116.584 116.584 118.704 -2.120 25067 7210 1 12 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.945 0.186 25067 7211 1 12 . 1 1 78 78 LEU C C 78 179.828 179.828 179.095 0.733 25067 7212 1 12 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.526 0.316 25067 7213 1 12 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.741 -0.043 25067 7214 1 12 . 1 1 78 78 LEU H H 78 8.238 8.238 7.614 0.624 25067 7215 1 12 . 1 1 79 79 GLU N N 79 121.435 121.435 119.662 1.773 25067 7216 1 12 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.967 0.136 25067 7217 1 12 . 1 1 79 79 GLU C C 79 180.004 180.004 179.274 0.730 25067 7218 1 12 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.411 -0.041 25067 7219 1 12 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.520 -0.399 25067 7220 1 12 . 1 1 79 79 GLU H H 79 8.296 8.296 7.787 0.509 25067 7221 1 12 . 1 1 80 80 VAL N N 80 122.863 122.863 120.007 2.856 25067 7222 1 12 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.461 -0.106 25067 7223 1 12 . 1 1 80 80 VAL C C 80 177.044 177.044 177.341 -0.297 25067 7224 1 12 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.578 -0.109 25067 7225 1 12 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.931 -0.233 25067 7226 1 12 . 1 1 80 80 VAL H H 80 8.603 8.603 7.971 0.632 25067 7227 1 12 . 1 1 81 81 ALA N N 81 122.490 122.490 122.482 0.008 25067 7228 1 12 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.793 -0.060 25067 7229 1 12 . 1 1 81 81 ALA C C 81 178.529 178.529 179.453 -0.924 25067 7230 1 12 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.596 0.049 25067 7231 1 12 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.206 0.210 25067 7232 1 12 . 1 1 81 81 ALA H H 81 7.684 7.684 7.640 0.044 25067 7233 1 12 . 1 1 82 82 ASN N N 82 114.569 114.569 114.636 -0.067 25067 7234 1 12 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.471 -0.093 25067 7235 1 12 . 1 1 82 82 ASN C C 82 177.505 177.505 177.506 -0.001 25067 7236 1 12 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.619 0.584 25067 7237 1 12 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.528 0.306 25067 7238 1 12 . 1 1 82 82 ASN H H 82 7.752 7.752 8.082 -0.330 25067 7239 1 12 . 1 1 83 83 LYS N N 83 121.384 121.384 122.068 -0.684 25067 7240 1 12 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.041 0.053 25067 7241 1 12 . 1 1 83 83 LYS C C 83 179.037 179.037 178.750 0.287 25067 7242 1 12 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.485 0.590 25067 7243 1 12 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.831 0.317 25067 7244 1 12 . 1 1 83 83 LYS H H 83 8.343 8.343 7.596 0.747 25067 7245 1 12 . 1 1 84 84 ILE N N 84 120.298 120.298 118.857 1.441 25067 7246 1 12 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.743 -0.258 25067 7247 1 12 . 1 1 84 84 ILE C C 84 177.063 177.063 178.374 -1.311 25067 7248 1 12 . 1 1 84 84 ILE CA C 84 66.188 66.188 64.295 1.893 25067 7249 1 12 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.826 0.562 25067 7250 1 12 . 1 1 84 84 ILE H H 84 8.496 8.496 7.890 0.606 25067 7251 1 12 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.948 -0.132 25067 7252 1 12 . 1 1 85 85 ALA C C 85 179.891 179.891 179.673 0.218 25067 7253 1 12 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.049 0.742 25067 7254 1 12 . 1 1 85 85 ALA CB C 85 18.048 18.048 17.815 0.233 25067 7255 1 12 . 1 1 85 85 ALA H H 85 7.768 7.768 7.847 -0.079 25067 7256 1 12 . 1 1 86 86 ASN N N 86 116.155 116.155 115.092 1.063 25067 7257 1 12 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.494 0.041 25067 7258 1 12 . 1 1 86 86 ASN C C 86 178.423 178.423 176.586 1.837 25067 7259 1 12 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.207 0.899 25067 7260 1 12 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.583 0.202 25067 7261 1 12 . 1 1 86 86 ASN H H 86 8.355 8.355 7.876 0.479 25067 7262 1 12 . 1 1 87 87 GLU N N 87 120.806 120.806 117.930 2.876 25067 7263 1 12 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.185 -0.009 25067 7264 1 12 . 1 1 87 87 GLU C C 87 178.381 178.381 177.086 1.295 25067 7265 1 12 . 1 1 87 87 GLU CA C 87 58.909 58.909 57.915 0.994 25067 7266 1 12 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.994 -0.342 25067 7267 1 12 . 1 1 87 87 GLU H H 87 8.431 8.431 7.948 0.483 25067 7268 1 12 . 1 1 88 88 LEU N N 88 115.825 115.825 111.673 4.152 25067 7269 1 12 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.858 -0.502 25067 7270 1 12 . 1 1 88 88 LEU C C 88 177.442 177.442 177.897 -0.455 25067 7271 1 12 . 1 1 88 88 LEU CA C 88 54.577 54.577 54.568 0.009 25067 7272 1 12 . 1 1 88 88 LEU CB C 88 43.500 43.500 43.179 0.321 25067 7273 1 12 . 1 1 88 88 LEU H H 88 7.547 7.547 7.529 0.018 25067 7274 1 12 . 1 1 89 89 GLY N N 89 109.579 109.579 109.753 -0.174 25067 7275 1 12 . 1 1 89 89 GLY C C 89 174.321 174.321 174.421 -0.100 25067 7276 1 12 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.636 0.872 25067 7277 1 12 . 1 1 89 89 GLY H H 89 7.934 7.934 8.272 -0.338 25067 7278 1 12 . 1 1 90 90 ALA N N 90 120.990 120.990 122.833 -1.843 25067 7279 1 12 . 1 1 90 90 ALA HA H 90 4.649 4.649 3.888 0.761 25067 7280 1 12 . 1 1 90 90 ALA C C 90 177.053 177.053 176.498 0.555 25067 7281 1 12 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.038 -1.964 25067 7282 1 12 . 1 1 90 90 ALA CB C 90 21.819 21.819 18.187 3.632 25067 7283 1 12 . 1 1 90 90 ALA H H 90 8.017 8.017 7.793 0.224 25067 7284 1 12 . 1 1 91 91 LYS N N 91 120.615 120.615 122.392 -1.777 25067 7285 1 12 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.358 0.058 25067 7286 1 12 . 1 1 91 91 LYS C C 91 175.765 175.765 176.992 -1.227 25067 7287 1 12 . 1 1 91 91 LYS CA C 91 56.179 56.179 56.450 -0.271 25067 7288 1 12 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.957 -1.215 25067 7289 1 12 . 1 1 91 91 LYS H H 91 8.366 8.366 8.408 -0.042 25067 7290 1 12 . 1 1 92 92 GLN N N 92 119.273 119.273 115.834 3.439 25067 7291 1 12 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.417 0.744 25067 7292 1 12 . 1 1 92 92 GLN C C 92 175.136 175.136 173.326 1.810 25067 7293 1 12 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.423 -1.313 25067 7294 1 12 . 1 1 92 92 GLN CB C 92 30.681 30.681 30.865 -0.184 25067 7295 1 12 . 1 1 92 92 GLN H H 92 8.495 8.495 7.815 0.680 25067 7296 1 12 . 1 1 93 93 SER N N 93 117.003 117.003 116.582 0.421 25067 7297 1 12 . 1 1 93 93 SER HA H 93 4.781 4.781 5.260 -0.479 25067 7298 1 12 . 1 1 93 93 SER C C 93 173.735 173.735 174.601 -0.866 25067 7299 1 12 . 1 1 93 93 SER CA C 93 57.819 57.819 56.692 1.127 25067 7300 1 12 . 1 1 93 93 SER CB C 93 64.648 64.648 64.269 0.379 25067 7301 1 12 . 1 1 93 93 SER H H 93 8.441 8.441 8.431 0.011 25067 7302 1 12 . 1 1 94 94 THR HA H 94 4.781 4.781 4.597 0.184 25067 7303 1 12 . 1 1 94 94 THR CA C 94 61.111 61.111 60.616 0.495 25067 7304 1 12 . 1 1 94 94 THR CB C 94 71.032 71.032 69.629 1.403 25067 7305 1 12 . 1 1 95 95 THR N N 95 119.923 119.923 121.994 -2.071 25067 7306 1 12 . 1 1 95 95 THR HA H 95 5.098 5.098 4.445 0.653 25067 7307 1 12 . 1 1 95 95 THR CA C 95 60.438 60.438 61.801 -1.363 25067 7308 1 12 . 1 1 95 95 THR CB C 95 70.780 70.780 70.051 0.729 25067 7309 1 12 . 1 1 95 95 THR H H 95 8.762 8.762 8.208 0.554 25067 7310 1 12 . 1 1 96 96 THR HA H 96 4.367 4.367 4.539 -0.172 25067 7311 1 12 . 1 1 96 96 THR CA C 96 61.740 61.740 61.949 -0.209 25067 7312 1 12 . 1 1 96 96 THR CB C 96 70.992 70.992 70.729 0.263 25067 7313 1 12 . 1 1 97 97 THR N N 97 120.315 120.315 120.043 0.272 25067 7314 1 12 . 1 1 97 97 THR HA H 97 5.363 5.363 4.680 0.683 25067 7315 1 12 . 1 1 97 97 THR CA C 97 61.379 61.379 60.894 0.485 25067 7316 1 12 . 1 1 97 97 THR CB C 97 71.216 71.216 70.612 0.605 25067 7317 1 12 . 1 1 97 97 THR H H 97 8.999 8.999 8.391 0.608 25067 7318 1 12 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.811 0.381 25067 7319 1 12 . 1 1 98 98 ASP C C 98 175.672 175.672 176.305 -0.633 25067 7320 1 12 . 1 1 98 98 ASP CA C 98 52.593 52.593 53.680 -1.087 25067 7321 1 12 . 1 1 98 98 ASP CB C 98 41.735 41.735 43.028 -1.293 25067 7322 1 12 . 1 1 99 99 GLY N N 99 111.919 111.919 107.635 4.284 25067 7323 1 12 . 1 1 99 99 GLY C C 99 174.049 174.049 175.161 -1.112 25067 7324 1 12 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.684 -1.658 25067 7325 1 12 . 1 1 99 99 GLY H H 99 7.817 7.817 8.652 -0.835 25067 7326 1 12 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.810 -0.256 25067 7327 1 12 . 1 1 100 100 ASP C C 100 177.518 177.518 176.247 1.271 25067 7328 1 12 . 1 1 100 100 ASP CA C 100 57.488 57.488 55.102 2.386 25067 7329 1 12 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.877 -0.240 25067 7330 1 12 . 1 1 101 101 THR N N 101 112.835 112.835 113.980 -1.145 25067 7331 1 12 . 1 1 101 101 THR HA H 101 4.613 4.613 4.624 -0.011 25067 7332 1 12 . 1 1 101 101 THR C C 101 173.003 173.003 172.484 0.519 25067 7333 1 12 . 1 1 101 101 THR CA C 101 60.857 60.857 62.174 -1.317 25067 7334 1 12 . 1 1 101 101 THR CB C 101 70.589 70.589 72.606 -2.017 25067 7335 1 12 . 1 1 101 101 THR H H 101 7.819 7.819 7.379 0.440 25067 7336 1 12 . 1 1 102 102 PHE N N 102 126.633 126.633 123.354 3.279 25067 7337 1 12 . 1 1 102 102 PHE HA H 102 4.891 4.891 5.135 -0.244 25067 7338 1 12 . 1 1 102 102 PHE C C 102 173.286 173.286 172.939 0.347 25067 7339 1 12 . 1 1 102 102 PHE CA C 102 57.173 57.173 56.864 0.310 25067 7340 1 12 . 1 1 102 102 PHE CB C 102 40.719 40.719 42.942 -2.223 25067 7341 1 12 . 1 1 102 102 PHE H H 102 8.581 8.581 9.113 -0.532 25067 7342 1 12 . 1 1 103 103 GLU N N 103 125.528 125.528 128.057 -2.529 25067 7343 1 12 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.358 -0.121 25067 7344 1 12 . 1 1 103 103 GLU C C 103 173.851 173.851 173.993 -0.142 25067 7345 1 12 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.072 -0.012 25067 7346 1 12 . 1 1 103 103 GLU CB C 103 34.318 34.318 34.590 -0.272 25067 7347 1 12 . 1 1 103 103 GLU H H 103 7.986 7.986 8.648 -0.662 25067 7348 1 12 . 1 1 104 104 VAL N N 104 124.582 124.582 124.833 -0.251 25067 7349 1 12 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.479 0.165 25067 7350 1 12 . 1 1 104 104 VAL C C 104 173.763 173.763 174.018 -0.255 25067 7351 1 12 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.095 -1.132 25067 7352 1 12 . 1 1 104 104 VAL CB C 104 34.370 34.370 34.124 0.246 25067 7353 1 12 . 1 1 104 104 VAL H H 104 9.245 9.245 8.831 0.414 25067 7354 1 12 . 1 1 105 105 GLU N N 105 127.755 127.755 128.654 -0.899 25067 7355 1 12 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.611 0.641 25067 7356 1 12 . 1 1 105 105 GLU C C 105 174.572 174.572 174.999 -0.427 25067 7357 1 12 . 1 1 105 105 GLU CA C 105 54.359 54.359 55.029 -0.670 25067 7358 1 12 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.474 1.344 25067 7359 1 12 . 1 1 105 105 GLU H H 105 9.040 9.040 8.283 0.757 25067 7360 1 12 . 1 1 106 106 VAL N N 106 127.452 127.452 128.102 -0.650 25067 7361 1 12 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.322 0.446 25067 7362 1 12 . 1 1 106 106 VAL C C 106 174.692 174.692 174.911 -0.219 25067 7363 1 12 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.119 -0.696 25067 7364 1 12 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.309 2.833 25067 7365 1 12 . 1 1 106 106 VAL H H 106 9.315 9.315 9.130 0.185 25067 7366 1 12 . 1 1 107 107 ILE N N 107 127.006 127.006 129.157 -2.151 25067 7367 1 12 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.428 0.189 25067 7368 1 12 . 1 1 107 107 ILE C C 107 176.187 176.187 174.996 1.191 25067 7369 1 12 . 1 1 107 107 ILE CA C 107 60.406 60.406 60.293 0.113 25067 7370 1 12 . 1 1 107 107 ILE CB C 107 38.521 38.521 37.388 1.133 25067 7371 1 12 . 1 1 107 107 ILE H H 107 8.814 8.814 8.220 0.594 25067 7372 1 12 . 1 1 108 108 LEU N N 108 128.313 128.313 129.164 -0.851 25067 7373 1 12 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.562 0.195 25067 7374 1 12 . 1 1 108 108 LEU C C 108 176.058 176.058 175.921 0.137 25067 7375 1 12 . 1 1 108 108 LEU CA C 108 54.124 54.124 54.090 0.034 25067 7376 1 12 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.236 1.838 25067 7377 1 12 . 1 1 108 108 LEU H H 108 8.652 8.652 8.036 0.616 25067 7378 1 12 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.511 0.021 25067 7379 1 12 . 1 1 109 109 GLU C C 109 175.408 175.408 175.481 -0.073 25067 7380 1 12 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.668 -0.307 25067 7381 1 12 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.906 0.741 25067 7382 1 12 . 1 1 110 110 LEU N N 110 125.467 125.467 124.727 0.740 25067 7383 1 12 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.505 -0.104 25067 7384 1 12 . 1 1 110 110 LEU C C 110 176.854 176.854 176.340 0.514 25067 7385 1 12 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.329 0.640 25067 7386 1 12 . 1 1 110 110 LEU CB C 110 42.515 42.515 43.559 -1.044 25067 7387 1 12 . 1 1 110 110 LEU H H 110 8.402 8.402 8.176 0.226 25067 7388 1 12 . 1 1 111 111 GLU N N 111 121.575 121.575 122.797 -1.222 25067 7389 1 12 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.447 -0.186 25067 7390 1 12 . 1 1 111 111 GLU CA C 111 56.521 56.521 55.703 0.818 25067 7391 1 12 . 1 1 111 111 GLU CB C 111 30.291 30.291 31.710 -1.419 25067 7392 1 12 . 1 1 111 111 GLU H H 111 8.607 8.607 8.353 0.254 25067 7393 1 13 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.261 -0.141 25067 7394 1 13 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.021 0.140 25067 7395 1 13 . 1 1 2 2 ALA CB C 2 19.392 19.392 18.497 0.895 25067 7396 1 13 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.002 0.376 25067 7397 1 13 . 1 1 4 4 LYS C C 4 176.563 176.563 176.162 0.401 25067 7398 1 13 . 1 1 4 4 LYS CA C 4 56.384 56.384 57.098 -0.714 25067 7399 1 13 . 1 1 4 4 LYS CB C 4 33.156 33.156 31.793 1.363 25067 7400 1 13 . 1 1 5 5 GLU N N 5 122.511 122.511 117.912 4.599 25067 7401 1 13 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.176 0.201 25067 7402 1 13 . 1 1 5 5 GLU C C 5 176.099 176.099 175.371 0.728 25067 7403 1 13 . 1 1 5 5 GLU CA C 5 56.384 56.384 57.074 -0.690 25067 7404 1 13 . 1 1 5 5 GLU CB C 5 29.803 29.803 29.595 0.208 25067 7405 1 13 . 1 1 5 5 GLU H H 5 8.601 8.601 8.619 -0.018 25067 7406 1 13 . 1 1 6 6 LEU N N 6 124.063 124.063 125.080 -1.017 25067 7407 1 13 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.692 -0.293 25067 7408 1 13 . 1 1 6 6 LEU C C 6 175.082 175.082 176.400 -1.318 25067 7409 1 13 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.685 0.040 25067 7410 1 13 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.905 0.308 25067 7411 1 13 . 1 1 6 6 LEU H H 6 8.409 8.409 8.655 -0.246 25067 7412 1 13 . 1 1 7 7 ARG N N 7 122.244 122.244 124.690 -2.446 25067 7413 1 13 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.357 0.088 25067 7414 1 13 . 1 1 7 7 ARG C C 7 174.768 174.768 175.209 -0.441 25067 7415 1 13 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.291 -0.601 25067 7416 1 13 . 1 1 7 7 ARG CB C 7 32.090 32.090 31.430 0.660 25067 7417 1 13 . 1 1 7 7 ARG H H 7 8.016 8.016 8.432 -0.416 25067 7418 1 13 . 1 1 8 8 VAL N N 8 123.767 123.767 118.104 5.663 25067 7419 1 13 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.817 -0.525 25067 7420 1 13 . 1 1 8 8 VAL C C 8 173.562 173.562 175.571 -2.009 25067 7421 1 13 . 1 1 8 8 VAL CA C 8 60.842 60.842 60.496 0.346 25067 7422 1 13 . 1 1 8 8 VAL CB C 8 34.184 34.184 34.850 -0.666 25067 7423 1 13 . 1 1 8 8 VAL H H 8 8.659 8.659 8.191 0.468 25067 7424 1 13 . 1 1 9 9 GLU N N 9 127.779 127.779 127.825 -0.046 25067 7425 1 13 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.705 0.185 25067 7426 1 13 . 1 1 9 9 GLU C C 9 175.446 175.446 175.233 0.213 25067 7427 1 13 . 1 1 9 9 GLU CA C 9 55.483 55.483 55.002 0.481 25067 7428 1 13 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.778 -0.028 25067 7429 1 13 . 1 1 9 9 GLU H H 9 8.513 8.513 8.709 -0.196 25067 7430 1 13 . 1 1 10 10 ILE N N 10 127.770 127.770 125.639 2.131 25067 7431 1 13 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.312 0.588 25067 7432 1 13 . 1 1 10 10 ILE C C 10 174.981 174.981 175.251 -0.270 25067 7433 1 13 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.969 -1.545 25067 7434 1 13 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.383 1.262 25067 7435 1 13 . 1 1 10 10 ILE H H 10 9.199 9.199 8.749 0.450 25067 7436 1 13 . 1 1 11 11 LYS N N 11 125.866 125.866 128.462 -2.596 25067 7437 1 13 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.778 0.660 25067 7438 1 13 . 1 1 11 11 LYS C C 11 175.835 175.835 174.747 1.088 25067 7439 1 13 . 1 1 11 11 LYS CA C 11 54.817 54.817 53.919 0.898 25067 7440 1 13 . 1 1 11 11 LYS CB C 11 35.060 35.060 34.541 0.519 25067 7441 1 13 . 1 1 11 11 LYS H H 11 9.257 9.257 8.732 0.525 25067 7442 1 13 . 1 1 12 12 ILE N N 12 121.799 121.799 124.916 -3.117 25067 7443 1 13 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.258 1.041 25067 7444 1 13 . 1 1 12 12 ILE C C 12 175.132 175.132 174.657 0.475 25067 7445 1 13 . 1 1 12 12 ILE CA C 12 59.134 59.134 59.907 -0.773 25067 7446 1 13 . 1 1 12 12 ILE CB C 12 39.666 39.666 38.038 1.628 25067 7447 1 13 . 1 1 12 12 ILE H H 12 9.075 9.075 8.911 0.164 25067 7448 1 13 . 1 1 13 13 ASP N N 13 129.263 129.263 129.114 0.149 25067 7449 1 13 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.965 0.244 25067 7450 1 13 . 1 1 13 13 ASP C C 13 175.898 175.898 175.460 0.438 25067 7451 1 13 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.905 -1.174 25067 7452 1 13 . 1 1 13 13 ASP CB C 13 43.750 43.750 41.907 1.843 25067 7453 1 13 . 1 1 13 13 ASP H H 13 9.415 9.415 8.736 0.679 25067 7454 1 13 . 1 1 14 14 CYS N N 14 122.767 122.767 119.363 3.404 25067 7455 1 13 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.917 0.015 25067 7456 1 13 . 1 1 14 14 CYS C C 14 174.228 174.228 175.182 -0.954 25067 7457 1 13 . 1 1 14 14 CYS CA C 14 58.269 58.269 56.642 1.627 25067 7458 1 13 . 1 1 14 14 CYS CB C 14 28.447 28.447 28.095 0.353 25067 7459 1 13 . 1 1 14 14 CYS H H 14 9.274 9.274 8.702 0.572 25067 7460 1 13 . 1 1 15 15 GLY N N 15 110.606 110.606 113.555 -2.949 25067 7461 1 13 . 1 1 15 15 GLY C C 15 173.986 173.986 174.344 -0.358 25067 7462 1 13 . 1 1 15 15 GLY CA C 15 45.892 45.892 46.216 -0.324 25067 7463 1 13 . 1 1 15 15 GLY H H 15 8.919 8.919 8.471 0.448 25067 7464 1 13 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.808 -0.012 25067 7465 1 13 . 1 1 16 16 ASN C C 16 175.157 175.157 174.180 0.977 25067 7466 1 13 . 1 1 16 16 ASN CA C 16 53.181 53.181 53.505 -0.324 25067 7467 1 13 . 1 1 16 16 ASN CB C 16 38.955 38.955 39.803 -0.848 25067 7468 1 13 . 1 1 17 17 ASP N N 17 118.767 118.767 120.067 -1.300 25067 7469 1 13 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.474 0.115 25067 7470 1 13 . 1 1 17 17 ASP C C 17 175.493 175.493 176.597 -1.104 25067 7471 1 13 . 1 1 17 17 ASP CA C 17 54.533 54.533 56.155 -1.622 25067 7472 1 13 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.851 -0.859 25067 7473 1 13 . 1 1 17 17 ASP H H 17 8.409 8.409 8.042 0.367 25067 7474 1 13 . 1 1 18 18 ASP N N 18 119.912 119.912 119.375 0.537 25067 7475 1 13 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.740 -0.134 25067 7476 1 13 . 1 1 18 18 ASP C C 18 175.870 175.870 174.958 0.912 25067 7477 1 13 . 1 1 18 18 ASP CA C 18 54.242 54.242 53.584 0.658 25067 7478 1 13 . 1 1 18 18 ASP CB C 18 41.116 41.116 42.269 -1.153 25067 7479 1 13 . 1 1 18 18 ASP H H 18 8.291 8.291 7.908 0.383 25067 7480 1 13 . 1 1 19 19 LYS N N 19 120.828 120.828 126.227 -5.399 25067 7481 1 13 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.228 0.211 25067 7482 1 13 . 1 1 19 19 LYS C C 19 176.121 176.121 176.063 0.058 25067 7483 1 13 . 1 1 19 19 LYS CA C 19 55.646 55.646 56.363 -0.717 25067 7484 1 13 . 1 1 19 19 LYS CB C 19 33.015 33.015 33.520 -0.506 25067 7485 1 13 . 1 1 19 19 LYS H H 19 8.140 8.140 8.570 -0.430 25067 7486 1 13 . 1 1 20 20 GLU N N 20 123.292 123.292 123.733 -0.441 25067 7487 1 13 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.154 0.386 25067 7488 1 13 . 1 1 20 20 GLU C C 20 176.413 176.413 175.883 0.530 25067 7489 1 13 . 1 1 20 20 GLU CA C 20 56.518 56.518 57.040 -0.522 25067 7490 1 13 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.749 0.794 25067 7491 1 13 . 1 1 20 20 GLU H H 20 8.645 8.645 8.540 0.105 25067 7492 1 13 . 1 1 21 21 THR N N 21 119.747 119.747 120.682 -0.935 25067 7493 1 13 . 1 1 21 21 THR HA H 21 4.517 4.517 4.334 0.183 25067 7494 1 13 . 1 1 21 21 THR C C 21 173.148 173.148 173.531 -0.383 25067 7495 1 13 . 1 1 21 21 THR CA C 21 61.989 61.989 60.480 1.509 25067 7496 1 13 . 1 1 21 21 THR CB C 21 70.485 70.485 69.195 1.290 25067 7497 1 13 . 1 1 21 21 THR H H 21 8.589 8.589 8.216 0.373 25067 7498 1 13 . 1 1 22 22 THR N N 22 119.539 119.539 120.136 -0.597 25067 7499 1 13 . 1 1 22 22 THR HA H 22 5.342 5.342 4.670 0.672 25067 7500 1 13 . 1 1 22 22 THR C C 22 173.148 173.148 173.854 -0.706 25067 7501 1 13 . 1 1 22 22 THR CA C 22 60.977 60.977 61.157 -0.180 25067 7502 1 13 . 1 1 22 22 THR CB C 22 70.490 70.490 69.573 0.917 25067 7503 1 13 . 1 1 22 22 THR H H 22 8.191 8.191 7.989 0.202 25067 7504 1 13 . 1 1 23 23 TYR N N 23 123.279 123.279 122.851 0.428 25067 7505 1 13 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.534 0.120 25067 7506 1 13 . 1 1 23 23 TYR C C 23 173.400 173.400 175.490 -2.090 25067 7507 1 13 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.374 -0.392 25067 7508 1 13 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.008 2.311 25067 7509 1 13 . 1 1 23 23 TYR H H 23 9.268 9.268 8.479 0.789 25067 7510 1 13 . 1 1 24 24 ASP N N 24 121.837 121.837 125.280 -3.443 25067 7511 1 13 . 1 1 24 24 ASP HA H 24 4.844 4.844 4.573 0.271 25067 7512 1 13 . 1 1 24 24 ASP C C 24 173.400 173.400 175.315 -1.915 25067 7513 1 13 . 1 1 24 24 ASP CA C 24 53.469 53.469 54.597 -1.128 25067 7514 1 13 . 1 1 24 24 ASP CB C 24 41.941 41.941 40.622 1.319 25067 7515 1 13 . 1 1 24 24 ASP H H 24 8.484 8.484 8.688 -0.204 25067 7516 1 13 . 1 1 25 25 LEU N N 25 126.268 126.268 121.340 4.928 25067 7517 1 13 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.696 -0.596 25067 7518 1 13 . 1 1 25 25 LEU C C 25 174.677 174.677 174.046 0.631 25067 7519 1 13 . 1 1 25 25 LEU CA C 25 52.733 52.733 54.141 -1.408 25067 7520 1 13 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.686 -2.060 25067 7521 1 13 . 1 1 25 25 LEU H H 25 8.619 8.619 7.412 1.207 25067 7522 1 13 . 1 1 26 26 TYR N N 26 123.695 123.695 117.926 5.769 25067 7523 1 13 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.829 -0.194 25067 7524 1 13 . 1 1 26 26 TYR C C 26 176.833 176.833 175.633 1.200 25067 7525 1 13 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.329 -0.047 25067 7526 1 13 . 1 1 26 26 TYR CB C 26 38.143 38.143 41.444 -3.301 25067 7527 1 13 . 1 1 26 26 TYR H H 26 8.465 8.465 7.900 0.565 25067 7528 1 13 . 1 1 27 27 PHE N N 27 119.951 119.951 119.418 0.533 25067 7529 1 13 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.712 0.074 25067 7530 1 13 . 1 1 27 27 PHE C C 27 176.205 176.205 176.081 0.124 25067 7531 1 13 . 1 1 27 27 PHE CA C 27 60.136 60.136 57.352 2.784 25067 7532 1 13 . 1 1 27 27 PHE CB C 27 38.455 38.455 40.516 -2.061 25067 7533 1 13 . 1 1 27 27 PHE H H 27 7.991 7.991 8.671 -0.680 25067 7534 1 13 . 1 1 28 28 SER N N 28 114.987 114.987 115.328 -0.341 25067 7535 1 13 . 1 1 28 28 SER HA H 28 4.455 4.455 4.655 -0.200 25067 7536 1 13 . 1 1 28 28 SER C C 28 174.517 174.517 174.310 0.207 25067 7537 1 13 . 1 1 28 28 SER CA C 28 59.489 59.489 58.486 1.003 25067 7538 1 13 . 1 1 28 28 SER CB C 28 62.828 62.828 64.551 -1.723 25067 7539 1 13 . 1 1 28 28 SER H H 28 8.508 8.508 8.696 -0.188 25067 7540 1 13 . 1 1 29 29 LYS N N 29 123.721 123.721 120.443 3.278 25067 7541 1 13 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.509 0.144 25067 7542 1 13 . 1 1 29 29 LYS C C 29 175.954 175.954 175.898 0.056 25067 7543 1 13 . 1 1 29 29 LYS CA C 29 54.695 54.695 56.738 -2.043 25067 7544 1 13 . 1 1 29 29 LYS CB C 29 31.548 31.548 35.038 -3.490 25067 7545 1 13 . 1 1 29 29 LYS H H 29 7.723 7.723 8.078 -0.355 25067 7546 1 13 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.629 -0.557 25067 7547 1 13 . 1 1 30 30 ALA CA C 30 55.547 55.547 53.191 2.356 25067 7548 1 13 . 1 1 30 30 ALA CB C 30 18.771 18.771 19.728 -0.957 25067 7549 1 13 . 1 1 31 31 GLU N N 31 117.703 117.703 119.965 -2.262 25067 7550 1 13 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.104 0.074 25067 7551 1 13 . 1 1 31 31 GLU C C 31 179.251 179.251 178.144 1.107 25067 7552 1 13 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.435 0.161 25067 7553 1 13 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.371 -0.772 25067 7554 1 13 . 1 1 31 31 GLU H H 31 9.034 9.034 8.818 0.216 25067 7555 1 13 . 1 1 32 32 GLU N N 32 121.084 121.084 119.584 1.500 25067 7556 1 13 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.147 0.038 25067 7557 1 13 . 1 1 32 32 GLU C C 32 179.251 179.251 178.701 0.550 25067 7558 1 13 . 1 1 32 32 GLU CA C 32 59.217 59.217 59.279 -0.062 25067 7559 1 13 . 1 1 32 32 GLU CB C 32 29.331 29.331 28.717 0.614 25067 7560 1 13 . 1 1 32 32 GLU H H 32 8.046 8.046 8.730 -0.684 25067 7561 1 13 . 1 1 33 33 ALA N N 33 122.906 122.906 121.816 1.090 25067 7562 1 13 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.061 0.029 25067 7563 1 13 . 1 1 33 33 ALA C C 33 180.244 180.244 179.782 0.462 25067 7564 1 13 . 1 1 33 33 ALA CA C 33 55.519 55.519 54.997 0.522 25067 7565 1 13 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.360 -0.392 25067 7566 1 13 . 1 1 33 33 ALA H H 33 8.383 8.383 8.379 0.004 25067 7567 1 13 . 1 1 34 34 LYS N N 34 119.560 119.560 118.146 1.414 25067 7568 1 13 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.162 0.028 25067 7569 1 13 . 1 1 34 34 LYS C C 34 179.198 179.198 178.595 0.603 25067 7570 1 13 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.559 -0.078 25067 7571 1 13 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.434 0.018 25067 7572 1 13 . 1 1 34 34 LYS H H 34 7.885 7.885 8.052 -0.167 25067 7573 1 13 . 1 1 35 35 GLU N N 35 121.053 121.053 120.635 0.418 25067 7574 1 13 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.121 0.060 25067 7575 1 13 . 1 1 35 35 GLU C C 35 179.288 179.288 178.947 0.341 25067 7576 1 13 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.024 0.367 25067 7577 1 13 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.284 0.060 25067 7578 1 13 . 1 1 35 35 GLU H H 35 8.042 8.042 7.522 0.520 25067 7579 1 13 . 1 1 36 36 LEU N N 36 121.053 121.053 120.583 0.470 25067 7580 1 13 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.092 0.145 25067 7581 1 13 . 1 1 36 36 LEU C C 36 177.982 177.982 179.599 -1.617 25067 7582 1 13 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.476 0.261 25067 7583 1 13 . 1 1 36 36 LEU CB C 36 41.941 41.941 40.943 0.998 25067 7584 1 13 . 1 1 36 36 LEU H H 36 8.434 8.434 7.693 0.741 25067 7585 1 13 . 1 1 37 37 LEU N N 37 120.035 120.035 120.439 -0.404 25067 7586 1 13 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.524 0.092 25067 7587 1 13 . 1 1 37 37 LEU C C 37 178.070 178.070 178.319 -0.249 25067 7588 1 13 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.477 1.072 25067 7589 1 13 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.546 0.602 25067 7590 1 13 . 1 1 37 37 LEU H H 37 7.883 7.883 8.463 -0.580 25067 7591 1 13 . 1 1 38 38 LYS N N 38 116.604 116.604 118.746 -2.142 25067 7592 1 13 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.843 -0.047 25067 7593 1 13 . 1 1 38 38 LYS C C 38 178.246 178.246 178.736 -0.490 25067 7594 1 13 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.502 0.013 25067 7595 1 13 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.218 0.377 25067 7596 1 13 . 1 1 38 38 LYS H H 38 7.102 7.102 7.592 -0.490 25067 7597 1 13 . 1 1 39 39 LYS N N 39 118.823 118.823 118.240 0.583 25067 7598 1 13 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.028 0.127 25067 7599 1 13 . 1 1 39 39 LYS C C 39 179.464 179.464 179.224 0.240 25067 7600 1 13 . 1 1 39 39 LYS CA C 39 59.126 59.126 58.331 0.795 25067 7601 1 13 . 1 1 39 39 LYS CB C 39 32.694 32.694 31.801 0.893 25067 7602 1 13 . 1 1 39 39 LYS H H 39 7.752 7.752 7.631 0.121 25067 7603 1 13 . 1 1 40 40 VAL N N 40 119.336 119.336 119.903 -0.567 25067 7604 1 13 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.470 -0.117 25067 7605 1 13 . 1 1 40 40 VAL C C 40 178.612 178.612 177.514 1.098 25067 7606 1 13 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.154 0.182 25067 7607 1 13 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.163 -0.011 25067 7608 1 13 . 1 1 40 40 VAL H H 40 8.925 8.925 7.943 0.982 25067 7609 1 13 . 1 1 41 41 ALA N N 41 120.709 120.709 121.809 -1.100 25067 7610 1 13 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.924 -0.029 25067 7611 1 13 . 1 1 41 41 ALA C C 41 179.163 179.163 179.794 -0.631 25067 7612 1 13 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.188 -0.163 25067 7613 1 13 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.116 0.579 25067 7614 1 13 . 1 1 41 41 ALA H H 41 8.001 8.001 7.687 0.314 25067 7615 1 13 . 1 1 42 42 GLU N N 42 117.330 117.330 118.555 -1.225 25067 7616 1 13 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.048 -0.112 25067 7617 1 13 . 1 1 42 42 GLU C C 42 179.452 179.452 179.433 0.019 25067 7618 1 13 . 1 1 42 42 GLU CA C 42 59.611 59.611 58.990 0.621 25067 7619 1 13 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.134 0.605 25067 7620 1 13 . 1 1 42 42 GLU H H 42 8.197 8.197 8.259 -0.062 25067 7621 1 13 . 1 1 43 43 LYS N N 43 119.586 119.586 118.896 0.690 25067 7622 1 13 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.145 0.053 25067 7623 1 13 . 1 1 43 43 LYS C C 43 179.595 179.595 178.970 0.625 25067 7624 1 13 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.953 0.816 25067 7625 1 13 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.862 0.209 25067 7626 1 13 . 1 1 43 43 LYS H H 43 8.119 8.119 7.542 0.577 25067 7627 1 13 . 1 1 44 44 ALA N N 44 121.948 121.948 121.639 0.309 25067 7628 1 13 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.074 0.192 25067 7629 1 13 . 1 1 44 44 ALA C C 44 178.937 178.937 179.030 -0.093 25067 7630 1 13 . 1 1 44 44 ALA CA C 44 54.990 54.990 55.051 -0.061 25067 7631 1 13 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.237 -0.436 25067 7632 1 13 . 1 1 44 44 ALA H H 44 8.396 8.396 8.190 0.206 25067 7633 1 13 . 1 1 45 45 ALA N N 45 118.814 118.814 120.181 -1.367 25067 7634 1 13 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.924 0.033 25067 7635 1 13 . 1 1 45 45 ALA C C 45 178.887 178.887 178.871 0.016 25067 7636 1 13 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.859 0.709 25067 7637 1 13 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.211 -0.184 25067 7638 1 13 . 1 1 45 45 ALA H H 45 8.519 8.519 7.756 0.763 25067 7639 1 13 . 1 1 46 46 ASP N N 46 116.930 116.930 118.725 -1.795 25067 7640 1 13 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.398 0.001 25067 7641 1 13 . 1 1 46 46 ASP C C 46 178.020 178.020 178.364 -0.344 25067 7642 1 13 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.316 0.324 25067 7643 1 13 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.935 0.901 25067 7644 1 13 . 1 1 46 46 ASP H H 46 7.852 7.852 7.749 0.103 25067 7645 1 13 . 1 1 47 47 LYS N N 47 119.467 119.467 118.986 0.481 25067 7646 1 13 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.138 -0.045 25067 7647 1 13 . 1 1 47 47 LYS C C 47 178.924 178.924 179.246 -0.322 25067 7648 1 13 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.651 1.021 25067 7649 1 13 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.091 0.420 25067 7650 1 13 . 1 1 47 47 LYS H H 47 7.692 7.692 7.774 -0.082 25067 7651 1 13 . 1 1 48 48 ILE N N 48 119.929 119.929 118.240 1.689 25067 7652 1 13 . 1 1 48 48 ILE HA H 48 3.740 3.740 4.031 -0.291 25067 7653 1 13 . 1 1 48 48 ILE C C 48 179.025 179.025 178.159 0.866 25067 7654 1 13 . 1 1 48 48 ILE CA C 48 64.978 64.978 64.502 0.476 25067 7655 1 13 . 1 1 48 48 ILE CB C 48 38.292 38.292 38.015 0.277 25067 7656 1 13 . 1 1 48 48 ILE H H 48 8.585 8.585 7.536 1.049 25067 7657 1 13 . 1 1 49 49 LYS N N 49 119.534 119.534 119.364 0.170 25067 7658 1 13 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.105 -0.088 25067 7659 1 13 . 1 1 49 49 LYS C C 49 179.025 179.025 177.724 1.301 25067 7660 1 13 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.613 1.034 25067 7661 1 13 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.362 0.239 25067 7662 1 13 . 1 1 49 49 LYS H H 49 8.353 8.353 7.521 0.832 25067 7663 1 13 . 1 1 50 50 LYS N N 50 117.423 117.423 117.904 -0.481 25067 7664 1 13 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.229 -0.013 25067 7665 1 13 . 1 1 50 50 LYS C C 50 178.510 178.510 176.479 2.031 25067 7666 1 13 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.097 0.400 25067 7667 1 13 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.322 -0.000 25067 7668 1 13 . 1 1 50 50 LYS H H 50 7.996 7.996 7.544 0.452 25067 7669 1 13 . 1 1 51 51 GLN N N 51 115.137 115.137 116.954 -1.817 25067 7670 1 13 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.504 -0.023 25067 7671 1 13 . 1 1 51 51 GLN C C 51 177.292 177.292 174.847 2.445 25067 7672 1 13 . 1 1 51 51 GLN CA C 51 56.007 56.007 54.811 1.196 25067 7673 1 13 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.029 -1.089 25067 7674 1 13 . 1 1 51 51 GLN H H 51 8.384 8.384 8.295 0.089 25067 7675 1 13 . 1 1 52 52 GLY N N 52 109.119 109.119 113.637 -4.518 25067 7676 1 13 . 1 1 52 52 GLY C C 52 174.391 174.391 174.452 -0.061 25067 7677 1 13 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.488 1.072 25067 7678 1 13 . 1 1 52 52 GLY H H 52 8.218 8.218 8.775 -0.557 25067 7679 1 13 . 1 1 53 53 CYS N N 53 116.935 116.935 124.745 -7.810 25067 7680 1 13 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.469 0.016 25067 7681 1 13 . 1 1 53 53 CYS C C 53 173.989 173.989 175.351 -1.362 25067 7682 1 13 . 1 1 53 53 CYS CA C 53 58.148 58.148 56.462 1.686 25067 7683 1 13 . 1 1 53 53 CYS CB C 53 28.714 28.714 26.584 2.130 25067 7684 1 13 . 1 1 53 53 CYS H H 53 7.623 7.623 7.908 -0.285 25067 7685 1 13 . 1 1 54 54 LYS N N 54 120.659 120.659 122.061 -1.402 25067 7686 1 13 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.191 0.309 25067 7687 1 13 . 1 1 54 54 LYS C C 54 174.793 174.793 176.242 -1.449 25067 7688 1 13 . 1 1 54 54 LYS CA C 54 56.326 56.326 57.490 -1.164 25067 7689 1 13 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.686 1.024 25067 7690 1 13 . 1 1 54 54 LYS H H 54 8.765 8.765 7.861 0.904 25067 7691 1 13 . 1 1 55 55 ARG N N 55 117.927 117.927 120.435 -2.508 25067 7692 1 13 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.942 0.501 25067 7693 1 13 . 1 1 55 55 ARG C C 55 174.517 174.517 173.713 0.804 25067 7694 1 13 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.355 -0.766 25067 7695 1 13 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.771 0.845 25067 7696 1 13 . 1 1 55 55 ARG H H 55 7.603 7.603 7.346 0.258 25067 7697 1 13 . 1 1 56 56 VAL N N 56 122.079 122.079 125.744 -3.665 25067 7698 1 13 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.387 0.438 25067 7699 1 13 . 1 1 56 56 VAL C C 56 173.311 173.311 174.747 -1.436 25067 7700 1 13 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.376 -0.091 25067 7701 1 13 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.291 0.639 25067 7702 1 13 . 1 1 56 56 VAL H H 56 8.853 8.853 8.903 -0.050 25067 7703 1 13 . 1 1 57 57 LYS N N 57 125.849 125.849 125.286 0.563 25067 7704 1 13 . 1 1 57 57 LYS HA H 57 5.604 5.604 5.234 0.370 25067 7705 1 13 . 1 1 57 57 LYS C C 57 174.881 174.881 174.937 -0.056 25067 7706 1 13 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.427 -0.689 25067 7707 1 13 . 1 1 57 57 LYS CB C 57 35.935 35.935 36.497 -0.562 25067 7708 1 13 . 1 1 57 57 LYS H H 57 8.819 8.819 8.140 0.679 25067 7709 1 13 . 1 1 58 58 ILE N N 58 125.213 125.213 123.472 1.741 25067 7710 1 13 . 1 1 58 58 ILE HA H 58 5.167 5.167 5.001 0.166 25067 7711 1 13 . 1 1 58 58 ILE C C 58 174.981 174.981 173.799 1.182 25067 7712 1 13 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.409 0.187 25067 7713 1 13 . 1 1 58 58 ILE CB C 58 40.859 40.859 42.057 -1.198 25067 7714 1 13 . 1 1 58 58 ILE H H 58 9.204 9.204 8.873 0.331 25067 7715 1 13 . 1 1 59 59 ARG N N 59 124.047 124.047 124.831 -0.784 25067 7716 1 13 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.745 0.356 25067 7717 1 13 . 1 1 59 59 ARG C C 59 175.144 175.144 174.005 1.139 25067 7718 1 13 . 1 1 59 59 ARG CA C 59 54.091 54.091 53.851 0.240 25067 7719 1 13 . 1 1 59 59 ARG CB C 59 36.035 36.035 34.765 1.270 25067 7720 1 13 . 1 1 59 59 ARG H H 59 9.467 9.467 9.253 0.214 25067 7721 1 13 . 1 1 60 60 PHE N N 60 113.223 113.223 121.217 -7.994 25067 7722 1 13 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.940 0.264 25067 7723 1 13 . 1 1 60 60 PHE C C 60 173.110 173.110 173.222 -0.112 25067 7724 1 13 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.919 0.012 25067 7725 1 13 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.443 -1.063 25067 7726 1 13 . 1 1 60 60 PHE H H 60 8.451 8.451 8.760 -0.309 25067 7727 1 13 . 1 1 61 61 GLU N N 61 121.333 121.333 125.079 -3.746 25067 7728 1 13 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.230 0.414 25067 7729 1 13 . 1 1 61 61 GLU C C 61 177.147 177.147 176.183 0.964 25067 7730 1 13 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.471 -0.506 25067 7731 1 13 . 1 1 61 61 GLU CB C 61 30.698 30.698 29.417 1.281 25067 7732 1 13 . 1 1 61 61 GLU H H 61 9.572 9.572 8.137 1.435 25067 7733 1 13 . 1 1 62 62 LYS N N 62 121.311 121.311 127.454 -6.143 25067 7734 1 13 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.423 -0.080 25067 7735 1 13 . 1 1 62 62 LYS C C 62 177.398 177.398 174.626 2.772 25067 7736 1 13 . 1 1 62 62 LYS CA C 62 58.185 58.185 54.611 3.575 25067 7737 1 13 . 1 1 62 62 LYS CB C 62 32.937 32.937 32.216 0.721 25067 7738 1 13 . 1 1 62 62 LYS H H 62 8.160 8.160 8.106 0.054 25067 7739 1 13 . 1 1 63 63 LYS N N 63 120.742 120.742 119.932 0.810 25067 7740 1 13 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.247 -0.129 25067 7741 1 13 . 1 1 63 63 LYS C C 63 177.015 177.015 175.800 1.215 25067 7742 1 13 . 1 1 63 63 LYS CA C 63 58.693 58.693 56.616 2.077 25067 7743 1 13 . 1 1 63 63 LYS CB C 63 31.677 31.677 33.700 -2.023 25067 7744 1 13 . 1 1 63 63 LYS H H 63 8.028 8.028 7.509 0.519 25067 7745 1 13 . 1 1 64 64 GLY C C 64 174.039 174.039 174.412 -0.373 25067 7746 1 13 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.791 -0.928 25067 7747 1 13 . 1 1 65 65 LEU N N 65 119.849 119.849 118.856 0.993 25067 7748 1 13 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.305 0.319 25067 7749 1 13 . 1 1 65 65 LEU C C 65 177.493 177.493 176.550 0.943 25067 7750 1 13 . 1 1 65 65 LEU CA C 65 54.128 54.128 55.641 -1.513 25067 7751 1 13 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.292 1.394 25067 7752 1 13 . 1 1 65 65 LEU H H 65 7.836 7.836 7.671 0.165 25067 7753 1 13 . 1 1 66 66 ASP N N 66 123.296 123.296 113.948 9.348 25067 7754 1 13 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.594 0.078 25067 7755 1 13 . 1 1 66 66 ASP C C 66 175.471 175.471 174.991 0.480 25067 7756 1 13 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.019 -1.199 25067 7757 1 13 . 1 1 66 66 ASP CB C 66 41.017 41.017 41.862 -0.845 25067 7758 1 13 . 1 1 66 66 ASP H H 66 8.226 8.226 7.739 0.487 25067 7759 1 13 . 1 1 67 67 ASP N N 67 118.859 118.859 120.622 -1.763 25067 7760 1 13 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.294 -0.051 25067 7761 1 13 . 1 1 67 67 ASP C C 67 178.121 178.121 177.385 0.736 25067 7762 1 13 . 1 1 67 67 ASP CA C 67 58.473 58.473 56.990 1.483 25067 7763 1 13 . 1 1 67 67 ASP CB C 67 41.067 41.067 40.905 0.162 25067 7764 1 13 . 1 1 67 67 ASP H H 67 8.529 8.529 8.642 -0.113 25067 7765 1 13 . 1 1 68 68 ASP N N 68 119.187 119.187 120.684 -1.497 25067 7766 1 13 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.435 -0.095 25067 7767 1 13 . 1 1 68 68 ASP C C 68 177.807 177.807 177.751 0.056 25067 7768 1 13 . 1 1 68 68 ASP CA C 68 57.481 57.481 56.738 0.743 25067 7769 1 13 . 1 1 68 68 ASP CB C 68 41.459 41.459 41.216 0.243 25067 7770 1 13 . 1 1 68 68 ASP H H 68 8.244 8.244 8.024 0.220 25067 7771 1 13 . 1 1 69 69 ALA N N 69 122.537 122.537 122.119 0.418 25067 7772 1 13 . 1 1 69 69 ALA HA H 69 3.628 3.628 3.917 -0.289 25067 7773 1 13 . 1 1 69 69 ALA C C 69 179.452 179.452 179.149 0.303 25067 7774 1 13 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.712 0.304 25067 7775 1 13 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.417 0.746 25067 7776 1 13 . 1 1 69 69 ALA H H 69 8.191 8.191 7.672 0.519 25067 7777 1 13 . 1 1 70 70 ARG N N 70 115.799 115.799 118.465 -2.666 25067 7778 1 13 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.944 -0.221 25067 7779 1 13 . 1 1 70 70 ARG C C 70 178.183 178.183 178.021 0.162 25067 7780 1 13 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.473 0.875 25067 7781 1 13 . 1 1 70 70 ARG CB C 70 30.612 30.612 29.727 0.885 25067 7782 1 13 . 1 1 70 70 ARG H H 70 8.419 8.419 8.091 0.328 25067 7783 1 13 . 1 1 71 71 LYS N N 71 118.170 118.170 118.687 -0.517 25067 7784 1 13 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.996 -0.159 25067 7785 1 13 . 1 1 71 71 LYS C C 71 179.891 179.891 178.747 1.144 25067 7786 1 13 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.441 0.209 25067 7787 1 13 . 1 1 71 71 LYS CB C 71 32.419 32.419 31.998 0.421 25067 7788 1 13 . 1 1 71 71 LYS H H 71 7.781 7.781 7.704 0.077 25067 7789 1 13 . 1 1 72 72 LYS N N 72 119.730 119.730 119.230 0.500 25067 7790 1 13 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.028 -0.292 25067 7791 1 13 . 1 1 72 72 LYS C C 72 178.874 178.874 178.890 -0.016 25067 7792 1 13 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.743 0.830 25067 7793 1 13 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.925 0.468 25067 7794 1 13 . 1 1 72 72 LYS H H 72 7.835 7.835 7.858 -0.023 25067 7795 1 13 . 1 1 73 73 ALA N N 73 123.068 123.068 121.017 2.051 25067 7796 1 13 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.652 0.103 25067 7797 1 13 . 1 1 73 73 ALA C C 73 178.246 178.246 179.216 -0.970 25067 7798 1 13 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.547 0.803 25067 7799 1 13 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.790 -0.144 25067 7800 1 13 . 1 1 73 73 ALA H H 73 8.343 8.343 7.932 0.411 25067 7801 1 13 . 1 1 74 74 LYS N N 74 117.936 117.936 119.472 -1.536 25067 7802 1 13 . 1 1 74 74 LYS HA H 74 3.644 3.644 2.805 0.839 25067 7803 1 13 . 1 1 74 74 LYS C C 74 177.694 177.694 178.097 -0.403 25067 7804 1 13 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.339 0.982 25067 7805 1 13 . 1 1 74 74 LYS CB C 74 32.675 32.675 31.941 0.734 25067 7806 1 13 . 1 1 74 74 LYS H H 74 7.934 7.934 7.776 0.158 25067 7807 1 13 . 1 1 75 75 LYS N N 75 116.863 116.863 119.370 -2.507 25067 7808 1 13 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.051 -0.072 25067 7809 1 13 . 1 1 75 75 LYS C C 75 178.884 178.884 178.343 0.541 25067 7810 1 13 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.388 0.021 25067 7811 1 13 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.255 0.242 25067 7812 1 13 . 1 1 75 75 LYS H H 75 7.371 7.371 7.796 -0.425 25067 7813 1 13 . 1 1 76 76 TRP N N 76 121.108 121.108 121.251 -0.143 25067 7814 1 13 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.167 0.030 25067 7815 1 13 . 1 1 76 76 TRP C C 76 177.618 177.618 177.651 -0.033 25067 7816 1 13 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.660 0.066 25067 7817 1 13 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.420 0.573 25067 7818 1 13 . 1 1 76 76 TRP H H 76 8.156 8.156 8.111 0.045 25067 7819 1 13 . 1 1 77 77 ALA N N 77 120.099 120.099 120.806 -0.707 25067 7820 1 13 . 1 1 77 77 ALA HA H 77 4.099 4.099 4.045 0.054 25067 7821 1 13 . 1 1 77 77 ALA C C 77 179.125 179.125 180.008 -0.883 25067 7822 1 13 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.018 0.630 25067 7823 1 13 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.329 -0.010 25067 7824 1 13 . 1 1 77 77 ALA H H 77 8.883 8.883 7.920 0.963 25067 7825 1 13 . 1 1 78 78 LEU N N 78 116.584 116.584 119.378 -2.794 25067 7826 1 13 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.956 0.175 25067 7827 1 13 . 1 1 78 78 LEU C C 78 179.828 179.828 179.217 0.611 25067 7828 1 13 . 1 1 78 78 LEU CA C 78 57.843 57.843 58.024 -0.181 25067 7829 1 13 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.679 0.019 25067 7830 1 13 . 1 1 78 78 LEU H H 78 8.238 8.238 7.964 0.274 25067 7831 1 13 . 1 1 79 79 GLU N N 79 121.435 121.435 119.335 2.100 25067 7832 1 13 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.984 0.119 25067 7833 1 13 . 1 1 79 79 GLU C C 79 180.004 180.004 179.413 0.591 25067 7834 1 13 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.494 -0.124 25067 7835 1 13 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.283 -0.161 25067 7836 1 13 . 1 1 79 79 GLU H H 79 8.296 8.296 8.193 0.103 25067 7837 1 13 . 1 1 80 80 VAL N N 80 122.863 122.863 119.876 2.987 25067 7838 1 13 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.455 -0.100 25067 7839 1 13 . 1 1 80 80 VAL C C 80 177.044 177.044 177.811 -0.767 25067 7840 1 13 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.648 -0.179 25067 7841 1 13 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.887 -0.189 25067 7842 1 13 . 1 1 80 80 VAL H H 80 8.603 8.603 8.019 0.584 25067 7843 1 13 . 1 1 81 81 ALA N N 81 122.490 122.490 121.557 0.933 25067 7844 1 13 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.907 -0.174 25067 7845 1 13 . 1 1 81 81 ALA C C 81 178.529 178.529 179.924 -1.395 25067 7846 1 13 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.368 0.277 25067 7847 1 13 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.100 0.315 25067 7848 1 13 . 1 1 81 81 ALA H H 81 7.684 7.684 7.883 -0.199 25067 7849 1 13 . 1 1 82 82 ASN N N 82 114.569 114.569 115.233 -0.664 25067 7850 1 13 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.461 -0.083 25067 7851 1 13 . 1 1 82 82 ASN C C 82 177.505 177.505 177.619 -0.114 25067 7852 1 13 . 1 1 82 82 ASN CA C 82 56.203 56.203 56.091 0.112 25067 7853 1 13 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.528 0.306 25067 7854 1 13 . 1 1 82 82 ASN H H 82 7.752 7.752 8.152 -0.400 25067 7855 1 13 . 1 1 83 83 LYS N N 83 121.384 121.384 121.100 0.284 25067 7856 1 13 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.073 0.021 25067 7857 1 13 . 1 1 83 83 LYS C C 83 179.037 179.037 178.685 0.352 25067 7858 1 13 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.752 0.323 25067 7859 1 13 . 1 1 83 83 LYS CB C 83 32.148 32.148 32.001 0.147 25067 7860 1 13 . 1 1 83 83 LYS H H 83 8.343 8.343 7.872 0.471 25067 7861 1 13 . 1 1 84 84 ILE N N 84 120.298 120.298 118.267 2.031 25067 7862 1 13 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.709 -0.224 25067 7863 1 13 . 1 1 84 84 ILE C C 84 177.063 177.063 178.250 -1.187 25067 7864 1 13 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.237 0.951 25067 7865 1 13 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.669 0.719 25067 7866 1 13 . 1 1 84 84 ILE H H 84 8.496 8.496 8.029 0.467 25067 7867 1 13 . 1 1 85 85 ALA HA H 85 3.816 3.816 4.037 -0.221 25067 7868 1 13 . 1 1 85 85 ALA C C 85 179.891 179.891 179.111 0.780 25067 7869 1 13 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.019 0.772 25067 7870 1 13 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.248 -0.200 25067 7871 1 13 . 1 1 85 85 ALA H H 85 7.768 7.768 7.861 -0.093 25067 7872 1 13 . 1 1 86 86 ASN N N 86 116.155 116.155 115.496 0.659 25067 7873 1 13 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.490 0.045 25067 7874 1 13 . 1 1 86 86 ASN C C 86 178.423 178.423 177.090 1.333 25067 7875 1 13 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.217 0.889 25067 7876 1 13 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.943 -0.159 25067 7877 1 13 . 1 1 86 86 ASN H H 86 8.355 8.355 7.966 0.389 25067 7878 1 13 . 1 1 87 87 GLU N N 87 120.806 120.806 118.296 2.510 25067 7879 1 13 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.103 0.073 25067 7880 1 13 . 1 1 87 87 GLU C C 87 178.381 178.381 177.831 0.550 25067 7881 1 13 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.235 0.674 25067 7882 1 13 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.410 0.242 25067 7883 1 13 . 1 1 87 87 GLU H H 87 8.431 8.431 8.071 0.360 25067 7884 1 13 . 1 1 88 88 LEU N N 88 115.825 115.825 116.318 -0.493 25067 7885 1 13 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.525 -0.169 25067 7886 1 13 . 1 1 88 88 LEU C C 88 177.442 177.442 177.861 -0.419 25067 7887 1 13 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.326 -0.749 25067 7888 1 13 . 1 1 88 88 LEU CB C 88 43.500 43.500 43.084 0.416 25067 7889 1 13 . 1 1 88 88 LEU H H 88 7.547 7.547 7.456 0.091 25067 7890 1 13 . 1 1 89 89 GLY N N 89 109.579 109.579 106.490 3.089 25067 7891 1 13 . 1 1 89 89 GLY C C 89 174.321 174.321 174.091 0.230 25067 7892 1 13 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.258 1.250 25067 7893 1 13 . 1 1 89 89 GLY H H 89 7.934 7.934 7.887 0.047 25067 7894 1 13 . 1 1 90 90 ALA N N 90 120.990 120.990 122.517 -1.527 25067 7895 1 13 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.389 0.260 25067 7896 1 13 . 1 1 90 90 ALA C C 90 177.053 177.053 175.986 1.067 25067 7897 1 13 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.472 -2.398 25067 7898 1 13 . 1 1 90 90 ALA CB C 90 21.819 21.819 20.529 1.290 25067 7899 1 13 . 1 1 90 90 ALA H H 90 8.017 8.017 7.838 0.179 25067 7900 1 13 . 1 1 91 91 LYS N N 91 120.615 120.615 116.510 4.105 25067 7901 1 13 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.423 -0.007 25067 7902 1 13 . 1 1 91 91 LYS C C 91 175.765 175.765 174.358 1.407 25067 7903 1 13 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.406 0.773 25067 7904 1 13 . 1 1 91 91 LYS CB C 91 32.742 32.742 32.926 -0.184 25067 7905 1 13 . 1 1 91 91 LYS H H 91 8.366 8.366 7.878 0.488 25067 7906 1 13 . 1 1 92 92 GLN N N 92 119.273 119.273 120.169 -0.896 25067 7907 1 13 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.499 0.662 25067 7908 1 13 . 1 1 92 92 GLN C C 92 175.136 175.136 175.899 -0.763 25067 7909 1 13 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.803 -1.692 25067 7910 1 13 . 1 1 92 92 GLN CB C 92 30.681 30.681 30.098 0.583 25067 7911 1 13 . 1 1 92 92 GLN H H 92 8.495 8.495 8.481 0.014 25067 7912 1 13 . 1 1 93 93 SER N N 93 117.003 117.003 116.157 0.846 25067 7913 1 13 . 1 1 93 93 SER HA H 93 4.781 4.781 4.613 0.168 25067 7914 1 13 . 1 1 93 93 SER C C 93 173.735 173.735 174.510 -0.775 25067 7915 1 13 . 1 1 93 93 SER CA C 93 57.819 57.819 57.402 0.417 25067 7916 1 13 . 1 1 93 93 SER CB C 93 64.648 64.648 65.078 -0.430 25067 7917 1 13 . 1 1 93 93 SER H H 93 8.441 8.441 8.247 0.194 25067 7918 1 13 . 1 1 94 94 THR HA H 94 4.781 4.781 4.503 0.278 25067 7919 1 13 . 1 1 94 94 THR CA C 94 61.111 61.111 62.299 -1.188 25067 7920 1 13 . 1 1 94 94 THR CB C 94 71.032 71.032 69.526 1.506 25067 7921 1 13 . 1 1 95 95 THR N N 95 119.923 119.923 119.593 0.330 25067 7922 1 13 . 1 1 95 95 THR HA H 95 5.098 5.098 4.618 0.480 25067 7923 1 13 . 1 1 95 95 THR CA C 95 60.438 60.438 60.369 0.069 25067 7924 1 13 . 1 1 95 95 THR CB C 95 70.780 70.780 69.641 1.139 25067 7925 1 13 . 1 1 95 95 THR H H 95 8.762 8.762 8.587 0.175 25067 7926 1 13 . 1 1 96 96 THR HA H 96 4.367 4.367 4.264 0.103 25067 7927 1 13 . 1 1 96 96 THR CA C 96 61.740 61.740 62.692 -0.952 25067 7928 1 13 . 1 1 96 96 THR CB C 96 70.992 70.992 69.137 1.855 25067 7929 1 13 . 1 1 97 97 THR N N 97 120.315 120.315 118.864 1.451 25067 7930 1 13 . 1 1 97 97 THR HA H 97 5.363 5.363 3.833 1.530 25067 7931 1 13 . 1 1 97 97 THR CA C 97 61.379 61.379 60.728 0.651 25067 7932 1 13 . 1 1 97 97 THR CB C 97 71.216 71.216 70.313 0.903 25067 7933 1 13 . 1 1 97 97 THR H H 97 8.999 8.999 8.276 0.723 25067 7934 1 13 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.423 0.769 25067 7935 1 13 . 1 1 98 98 ASP C C 98 175.672 175.672 176.058 -0.386 25067 7936 1 13 . 1 1 98 98 ASP CA C 98 52.593 52.593 56.221 -3.627 25067 7937 1 13 . 1 1 98 98 ASP CB C 98 41.735 41.735 41.026 0.709 25067 7938 1 13 . 1 1 99 99 GLY N N 99 111.919 111.919 107.464 4.455 25067 7939 1 13 . 1 1 99 99 GLY C C 99 174.049 174.049 174.652 -0.603 25067 7940 1 13 . 1 1 99 99 GLY CA C 99 45.026 45.026 45.342 -0.316 25067 7941 1 13 . 1 1 99 99 GLY H H 99 7.817 7.817 8.306 -0.489 25067 7942 1 13 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.427 0.127 25067 7943 1 13 . 1 1 100 100 ASP C C 100 177.518 177.518 176.062 1.456 25067 7944 1 13 . 1 1 100 100 ASP CA C 100 57.488 57.488 56.046 1.442 25067 7945 1 13 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.203 0.434 25067 7946 1 13 . 1 1 101 101 THR N N 101 112.835 112.835 108.853 3.982 25067 7947 1 13 . 1 1 101 101 THR HA H 101 4.613 4.613 4.873 -0.260 25067 7948 1 13 . 1 1 101 101 THR C C 101 173.003 173.003 173.325 -0.322 25067 7949 1 13 . 1 1 101 101 THR CA C 101 60.857 60.857 60.096 0.761 25067 7950 1 13 . 1 1 101 101 THR CB C 101 70.589 70.589 71.545 -0.956 25067 7951 1 13 . 1 1 101 101 THR H H 101 7.819 7.819 7.260 0.559 25067 7952 1 13 . 1 1 102 102 PHE N N 102 126.633 126.633 126.781 -0.148 25067 7953 1 13 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.635 0.256 25067 7954 1 13 . 1 1 102 102 PHE C C 102 173.286 173.286 173.682 -0.396 25067 7955 1 13 . 1 1 102 102 PHE CA C 102 57.173 57.173 58.842 -1.669 25067 7956 1 13 . 1 1 102 102 PHE CB C 102 40.719 40.719 40.495 0.224 25067 7957 1 13 . 1 1 102 102 PHE H H 102 8.581 8.581 8.833 -0.252 25067 7958 1 13 . 1 1 103 103 GLU N N 103 125.528 125.528 129.795 -4.267 25067 7959 1 13 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.128 0.109 25067 7960 1 13 . 1 1 103 103 GLU C C 103 173.851 173.851 174.465 -0.614 25067 7961 1 13 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.758 -0.698 25067 7962 1 13 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.382 0.936 25067 7963 1 13 . 1 1 103 103 GLU H H 103 7.986 7.986 8.734 -0.748 25067 7964 1 13 . 1 1 104 104 VAL N N 104 124.582 124.582 127.408 -2.826 25067 7965 1 13 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.250 0.394 25067 7966 1 13 . 1 1 104 104 VAL C C 104 173.763 173.763 174.942 -1.179 25067 7967 1 13 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.636 -1.673 25067 7968 1 13 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.056 1.314 25067 7969 1 13 . 1 1 104 104 VAL H H 104 9.245 9.245 9.111 0.134 25067 7970 1 13 . 1 1 105 105 GLU N N 105 127.755 127.755 128.308 -0.553 25067 7971 1 13 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.984 0.268 25067 7972 1 13 . 1 1 105 105 GLU C C 105 174.572 174.572 175.799 -1.227 25067 7973 1 13 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.385 -0.025 25067 7974 1 13 . 1 1 105 105 GLU CB C 105 32.818 32.818 30.490 2.328 25067 7975 1 13 . 1 1 105 105 GLU H H 105 9.040 9.040 8.690 0.350 25067 7976 1 13 . 1 1 106 106 VAL N N 106 127.452 127.452 125.549 1.903 25067 7977 1 13 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.257 0.511 25067 7978 1 13 . 1 1 106 106 VAL C C 106 174.692 174.692 174.801 -0.109 25067 7979 1 13 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.496 -1.073 25067 7980 1 13 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.278 1.864 25067 7981 1 13 . 1 1 106 106 VAL H H 106 9.315 9.315 8.668 0.647 25067 7982 1 13 . 1 1 107 107 ILE N N 107 127.006 127.006 128.868 -1.862 25067 7983 1 13 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.346 0.271 25067 7984 1 13 . 1 1 107 107 ILE C C 107 176.187 176.187 175.411 0.776 25067 7985 1 13 . 1 1 107 107 ILE CA C 107 60.406 60.406 58.990 1.416 25067 7986 1 13 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.172 2.349 25067 7987 1 13 . 1 1 107 107 ILE H H 107 8.814 8.814 8.603 0.211 25067 7988 1 13 . 1 1 108 108 LEU N N 108 128.313 128.313 129.566 -1.253 25067 7989 1 13 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.508 0.249 25067 7990 1 13 . 1 1 108 108 LEU C C 108 176.058 176.058 175.865 0.193 25067 7991 1 13 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.803 0.321 25067 7992 1 13 . 1 1 108 108 LEU CB C 108 43.074 43.074 42.047 1.027 25067 7993 1 13 . 1 1 108 108 LEU H H 108 8.652 8.652 8.198 0.454 25067 7994 1 13 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.451 0.081 25067 7995 1 13 . 1 1 109 109 GLU C C 109 175.408 175.408 176.077 -0.669 25067 7996 1 13 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.607 -0.246 25067 7997 1 13 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.452 1.195 25067 7998 1 13 . 1 1 110 110 LEU N N 110 125.467 125.467 125.652 -0.185 25067 7999 1 13 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.097 0.304 25067 8000 1 13 . 1 1 110 110 LEU C C 110 176.854 176.854 177.001 -0.147 25067 8001 1 13 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.313 0.656 25067 8002 1 13 . 1 1 110 110 LEU CB C 110 42.515 42.515 40.421 2.094 25067 8003 1 13 . 1 1 110 110 LEU H H 110 8.402 8.402 8.633 -0.231 25067 8004 1 13 . 1 1 111 111 GLU N N 111 121.575 121.575 118.669 2.906 25067 8005 1 13 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.054 0.207 25067 8006 1 13 . 1 1 111 111 GLU CA C 111 56.521 56.521 57.291 -0.770 25067 8007 1 13 . 1 1 111 111 GLU CB C 111 30.291 30.291 29.219 1.072 25067 8008 1 13 . 1 1 111 111 GLU H H 111 8.607 8.607 8.445 0.162 25067 8009 1 14 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.144 -0.024 25067 8010 1 14 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.434 -0.273 25067 8011 1 14 . 1 1 2 2 ALA CB C 2 19.392 19.392 18.496 0.896 25067 8012 1 14 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.178 0.200 25067 8013 1 14 . 1 1 4 4 LYS C C 4 176.563 176.563 175.605 0.958 25067 8014 1 14 . 1 1 4 4 LYS CA C 4 56.384 56.384 56.949 -0.565 25067 8015 1 14 . 1 1 4 4 LYS CB C 4 33.156 33.156 31.470 1.686 25067 8016 1 14 . 1 1 5 5 GLU N N 5 122.511 122.511 120.601 1.910 25067 8017 1 14 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.491 -0.114 25067 8018 1 14 . 1 1 5 5 GLU C C 5 176.099 176.099 175.722 0.377 25067 8019 1 14 . 1 1 5 5 GLU CA C 5 56.384 56.384 55.321 1.063 25067 8020 1 14 . 1 1 5 5 GLU CB C 5 29.803 29.803 29.101 0.702 25067 8021 1 14 . 1 1 5 5 GLU H H 5 8.601 8.601 8.230 0.371 25067 8022 1 14 . 1 1 6 6 LEU N N 6 124.063 124.063 125.134 -1.071 25067 8023 1 14 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.382 0.017 25067 8024 1 14 . 1 1 6 6 LEU C C 6 175.082 175.082 176.781 -1.699 25067 8025 1 14 . 1 1 6 6 LEU CA C 6 54.725 54.725 55.475 -0.750 25067 8026 1 14 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.717 0.497 25067 8027 1 14 . 1 1 6 6 LEU H H 6 8.409 8.409 8.162 0.247 25067 8028 1 14 . 1 1 7 7 ARG N N 7 122.244 122.244 123.746 -1.502 25067 8029 1 14 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.165 0.280 25067 8030 1 14 . 1 1 7 7 ARG C C 7 174.768 174.768 175.115 -0.347 25067 8031 1 14 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.543 -0.853 25067 8032 1 14 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.607 1.483 25067 8033 1 14 . 1 1 7 7 ARG H H 7 8.016 8.016 8.073 -0.057 25067 8034 1 14 . 1 1 8 8 VAL N N 8 123.767 123.767 123.378 0.389 25067 8035 1 14 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.510 -0.218 25067 8036 1 14 . 1 1 8 8 VAL C C 8 173.562 173.562 174.561 -0.999 25067 8037 1 14 . 1 1 8 8 VAL CA C 8 60.842 60.842 61.379 -0.537 25067 8038 1 14 . 1 1 8 8 VAL CB C 8 34.184 34.184 33.538 0.646 25067 8039 1 14 . 1 1 8 8 VAL H H 8 8.659 8.659 8.316 0.343 25067 8040 1 14 . 1 1 9 9 GLU N N 9 127.779 127.779 128.164 -0.385 25067 8041 1 14 . 1 1 9 9 GLU HA H 9 4.890 4.890 5.099 -0.209 25067 8042 1 14 . 1 1 9 9 GLU C C 9 175.446 175.446 175.660 -0.214 25067 8043 1 14 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.507 0.976 25067 8044 1 14 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.150 0.600 25067 8045 1 14 . 1 1 9 9 GLU H H 9 8.513 8.513 8.338 0.175 25067 8046 1 14 . 1 1 10 10 ILE N N 10 127.770 127.770 126.426 1.344 25067 8047 1 14 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.483 0.417 25067 8048 1 14 . 1 1 10 10 ILE C C 10 174.981 174.981 175.715 -0.734 25067 8049 1 14 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.304 -0.880 25067 8050 1 14 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.795 0.850 25067 8051 1 14 . 1 1 10 10 ILE H H 10 9.199 9.199 8.582 0.617 25067 8052 1 14 . 1 1 11 11 LYS N N 11 125.866 125.866 128.884 -3.018 25067 8053 1 14 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.961 0.477 25067 8054 1 14 . 1 1 11 11 LYS C C 11 175.835 175.835 175.696 0.139 25067 8055 1 14 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.503 0.314 25067 8056 1 14 . 1 1 11 11 LYS CB C 11 35.060 35.060 33.252 1.808 25067 8057 1 14 . 1 1 11 11 LYS H H 11 9.257 9.257 8.787 0.470 25067 8058 1 14 . 1 1 12 12 ILE N N 12 121.799 121.799 125.806 -4.007 25067 8059 1 14 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.236 1.063 25067 8060 1 14 . 1 1 12 12 ILE C C 12 175.132 175.132 174.867 0.265 25067 8061 1 14 . 1 1 12 12 ILE CA C 12 59.134 59.134 59.078 0.056 25067 8062 1 14 . 1 1 12 12 ILE CB C 12 39.666 39.666 36.798 2.868 25067 8063 1 14 . 1 1 12 12 ILE H H 12 9.075 9.075 8.266 0.809 25067 8064 1 14 . 1 1 13 13 ASP N N 13 129.263 129.263 128.862 0.401 25067 8065 1 14 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.727 0.482 25067 8066 1 14 . 1 1 13 13 ASP C C 13 175.898 175.898 175.171 0.727 25067 8067 1 14 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.365 -0.634 25067 8068 1 14 . 1 1 13 13 ASP CB C 13 43.750 43.750 41.768 1.982 25067 8069 1 14 . 1 1 13 13 ASP H H 13 9.415 9.415 8.183 1.232 25067 8070 1 14 . 1 1 14 14 CYS N N 14 122.767 122.767 125.660 -2.893 25067 8071 1 14 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.655 0.277 25067 8072 1 14 . 1 1 14 14 CYS C C 14 174.228 174.228 173.936 0.292 25067 8073 1 14 . 1 1 14 14 CYS CA C 14 58.269 58.269 57.449 0.820 25067 8074 1 14 . 1 1 14 14 CYS CB C 14 28.447 28.447 30.140 -1.693 25067 8075 1 14 . 1 1 14 14 CYS H H 14 9.274 9.274 8.265 1.009 25067 8076 1 14 . 1 1 15 15 GLY N N 15 110.606 110.606 107.449 3.157 25067 8077 1 14 . 1 1 15 15 GLY C C 15 173.986 173.986 171.984 2.002 25067 8078 1 14 . 1 1 15 15 GLY CA C 15 45.892 45.892 44.891 1.001 25067 8079 1 14 . 1 1 15 15 GLY H H 15 8.919 8.919 7.993 0.926 25067 8080 1 14 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.451 0.345 25067 8081 1 14 . 1 1 16 16 ASN C C 16 175.157 175.157 173.687 1.470 25067 8082 1 14 . 1 1 16 16 ASN CA C 16 53.181 53.181 53.544 -0.363 25067 8083 1 14 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.876 0.079 25067 8084 1 14 . 1 1 17 17 ASP N N 17 118.767 118.767 120.742 -1.975 25067 8085 1 14 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.438 0.151 25067 8086 1 14 . 1 1 17 17 ASP C C 17 175.493 175.493 176.630 -1.137 25067 8087 1 14 . 1 1 17 17 ASP CA C 17 54.533 54.533 55.714 -1.181 25067 8088 1 14 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.087 -0.095 25067 8089 1 14 . 1 1 17 17 ASP H H 17 8.409 8.409 8.717 -0.308 25067 8090 1 14 . 1 1 18 18 ASP N N 18 119.912 119.912 118.507 1.405 25067 8091 1 14 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.426 0.180 25067 8092 1 14 . 1 1 18 18 ASP C C 18 175.870 175.870 177.494 -1.624 25067 8093 1 14 . 1 1 18 18 ASP CA C 18 54.242 54.242 56.011 -1.769 25067 8094 1 14 . 1 1 18 18 ASP CB C 18 41.116 41.116 40.611 0.505 25067 8095 1 14 . 1 1 18 18 ASP H H 18 8.291 8.291 8.255 0.036 25067 8096 1 14 . 1 1 19 19 LYS N N 19 120.828 120.828 120.672 0.156 25067 8097 1 14 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.346 0.093 25067 8098 1 14 . 1 1 19 19 LYS C C 19 176.121 176.121 175.502 0.619 25067 8099 1 14 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.356 0.290 25067 8100 1 14 . 1 1 19 19 LYS CB C 19 33.015 33.015 31.515 1.500 25067 8101 1 14 . 1 1 19 19 LYS H H 19 8.140 8.140 7.666 0.474 25067 8102 1 14 . 1 1 20 20 GLU N N 20 123.292 123.292 123.447 -0.155 25067 8103 1 14 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.335 0.205 25067 8104 1 14 . 1 1 20 20 GLU C C 20 176.413 176.413 176.263 0.150 25067 8105 1 14 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.112 0.406 25067 8106 1 14 . 1 1 20 20 GLU CB C 20 30.543 30.543 30.458 0.085 25067 8107 1 14 . 1 1 20 20 GLU H H 20 8.645 8.645 7.857 0.788 25067 8108 1 14 . 1 1 21 21 THR N N 21 119.747 119.747 118.746 1.001 25067 8109 1 14 . 1 1 21 21 THR HA H 21 4.517 4.517 4.599 -0.082 25067 8110 1 14 . 1 1 21 21 THR C C 21 173.148 173.148 173.289 -0.141 25067 8111 1 14 . 1 1 21 21 THR CA C 21 61.989 61.989 61.622 0.367 25067 8112 1 14 . 1 1 21 21 THR CB C 21 70.485 70.485 70.708 -0.223 25067 8113 1 14 . 1 1 21 21 THR H H 21 8.589 8.589 8.321 0.268 25067 8114 1 14 . 1 1 22 22 THR N N 22 119.539 119.539 119.885 -0.346 25067 8115 1 14 . 1 1 22 22 THR HA H 22 5.342 5.342 5.139 0.203 25067 8116 1 14 . 1 1 22 22 THR C C 22 173.148 173.148 173.278 -0.130 25067 8117 1 14 . 1 1 22 22 THR CA C 22 60.977 60.977 61.223 -0.246 25067 8118 1 14 . 1 1 22 22 THR CB C 22 70.490 70.490 71.778 -1.288 25067 8119 1 14 . 1 1 22 22 THR H H 22 8.191 8.191 8.252 -0.061 25067 8120 1 14 . 1 1 23 23 TYR N N 23 123.279 123.279 122.926 0.353 25067 8121 1 14 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.618 0.036 25067 8122 1 14 . 1 1 23 23 TYR C C 23 173.400 173.400 174.393 -0.993 25067 8123 1 14 . 1 1 23 23 TYR CA C 23 56.982 56.982 56.888 0.094 25067 8124 1 14 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.642 1.676 25067 8125 1 14 . 1 1 23 23 TYR H H 23 9.268 9.268 8.690 0.578 25067 8126 1 14 . 1 1 24 24 ASP N N 24 121.837 121.837 125.834 -3.997 25067 8127 1 14 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.176 -0.332 25067 8128 1 14 . 1 1 24 24 ASP C C 24 173.400 173.400 175.325 -1.925 25067 8129 1 14 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.971 -0.502 25067 8130 1 14 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.708 0.233 25067 8131 1 14 . 1 1 24 24 ASP H H 24 8.484 8.484 8.631 -0.147 25067 8132 1 14 . 1 1 25 25 LEU N N 25 126.268 126.268 120.118 6.150 25067 8133 1 14 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.877 -0.777 25067 8134 1 14 . 1 1 25 25 LEU C C 25 174.677 174.677 174.093 0.584 25067 8135 1 14 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.337 -0.604 25067 8136 1 14 . 1 1 25 25 LEU CB C 25 42.626 42.626 45.075 -2.449 25067 8137 1 14 . 1 1 25 25 LEU H H 25 8.619 8.619 7.989 0.630 25067 8138 1 14 . 1 1 26 26 TYR N N 26 123.695 123.695 116.972 6.723 25067 8139 1 14 . 1 1 26 26 TYR HA H 26 4.635 4.635 5.351 -0.716 25067 8140 1 14 . 1 1 26 26 TYR C C 26 176.833 176.833 176.219 0.614 25067 8141 1 14 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.166 0.116 25067 8142 1 14 . 1 1 26 26 TYR CB C 26 38.143 38.143 41.383 -3.240 25067 8143 1 14 . 1 1 26 26 TYR H H 26 8.465 8.465 8.397 0.068 25067 8144 1 14 . 1 1 27 27 PHE N N 27 119.951 119.951 124.069 -4.118 25067 8145 1 14 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.634 0.152 25067 8146 1 14 . 1 1 27 27 PHE C C 27 176.205 176.205 176.500 -0.295 25067 8147 1 14 . 1 1 27 27 PHE CA C 27 60.136 60.136 56.216 3.920 25067 8148 1 14 . 1 1 27 27 PHE CB C 27 38.455 38.455 35.965 2.490 25067 8149 1 14 . 1 1 27 27 PHE H H 27 7.991 7.991 8.337 -0.346 25067 8150 1 14 . 1 1 28 28 SER N N 28 114.987 114.987 117.831 -2.844 25067 8151 1 14 . 1 1 28 28 SER HA H 28 4.455 4.455 4.320 0.135 25067 8152 1 14 . 1 1 28 28 SER C C 28 174.517 174.517 174.331 0.186 25067 8153 1 14 . 1 1 28 28 SER CA C 28 59.489 59.489 60.195 -0.706 25067 8154 1 14 . 1 1 28 28 SER CB C 28 62.828 62.828 63.414 -0.586 25067 8155 1 14 . 1 1 28 28 SER H H 28 8.508 8.508 8.215 0.293 25067 8156 1 14 . 1 1 29 29 LYS N N 29 123.721 123.721 117.565 6.156 25067 8157 1 14 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.537 0.116 25067 8158 1 14 . 1 1 29 29 LYS C C 29 175.954 175.954 175.956 -0.002 25067 8159 1 14 . 1 1 29 29 LYS CA C 29 54.695 54.695 54.823 -0.128 25067 8160 1 14 . 1 1 29 29 LYS CB C 29 31.548 31.548 35.403 -3.855 25067 8161 1 14 . 1 1 29 29 LYS H H 29 7.723 7.723 7.632 0.091 25067 8162 1 14 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.088 -0.016 25067 8163 1 14 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.143 0.404 25067 8164 1 14 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.405 0.366 25067 8165 1 14 . 1 1 31 31 GLU N N 31 117.703 117.703 118.782 -1.079 25067 8166 1 14 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.047 0.131 25067 8167 1 14 . 1 1 31 31 GLU C C 31 179.251 179.251 178.662 0.589 25067 8168 1 14 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.803 -0.207 25067 8169 1 14 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.023 -0.424 25067 8170 1 14 . 1 1 31 31 GLU H H 31 9.034 9.034 8.770 0.264 25067 8171 1 14 . 1 1 32 32 GLU N N 32 121.084 121.084 118.157 2.927 25067 8172 1 14 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.097 0.088 25067 8173 1 14 . 1 1 32 32 GLU C C 32 179.251 179.251 178.936 0.315 25067 8174 1 14 . 1 1 32 32 GLU CA C 32 59.217 59.217 59.162 0.055 25067 8175 1 14 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.140 0.191 25067 8176 1 14 . 1 1 32 32 GLU H H 32 8.046 8.046 8.577 -0.531 25067 8177 1 14 . 1 1 33 33 ALA N N 33 122.906 122.906 122.051 0.855 25067 8178 1 14 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.082 0.008 25067 8179 1 14 . 1 1 33 33 ALA C C 33 180.244 180.244 179.253 0.991 25067 8180 1 14 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.187 0.333 25067 8181 1 14 . 1 1 33 33 ALA CB C 33 17.968 17.968 17.957 0.011 25067 8182 1 14 . 1 1 33 33 ALA H H 33 8.383 8.383 8.029 0.354 25067 8183 1 14 . 1 1 34 34 LYS N N 34 119.560 119.560 117.856 1.704 25067 8184 1 14 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.095 0.095 25067 8185 1 14 . 1 1 34 34 LYS C C 34 179.198 179.198 178.957 0.241 25067 8186 1 14 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.749 -0.268 25067 8187 1 14 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.349 0.103 25067 8188 1 14 . 1 1 34 34 LYS H H 34 7.885 7.885 7.861 0.024 25067 8189 1 14 . 1 1 35 35 GLU N N 35 121.053 121.053 120.206 0.847 25067 8190 1 14 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.172 0.009 25067 8191 1 14 . 1 1 35 35 GLU C C 35 179.288 179.288 179.276 0.012 25067 8192 1 14 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.175 0.216 25067 8193 1 14 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.288 0.056 25067 8194 1 14 . 1 1 35 35 GLU H H 35 8.042 8.042 7.821 0.221 25067 8195 1 14 . 1 1 36 36 LEU N N 36 121.053 121.053 120.723 0.330 25067 8196 1 14 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.226 0.011 25067 8197 1 14 . 1 1 36 36 LEU C C 36 177.982 177.982 179.406 -1.424 25067 8198 1 14 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.547 0.190 25067 8199 1 14 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.021 0.920 25067 8200 1 14 . 1 1 36 36 LEU H H 36 8.434 8.434 8.198 0.236 25067 8201 1 14 . 1 1 37 37 LEU N N 37 120.035 120.035 120.988 -0.953 25067 8202 1 14 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.796 -0.180 25067 8203 1 14 . 1 1 37 37 LEU C C 37 178.070 178.070 178.343 -0.273 25067 8204 1 14 . 1 1 37 37 LEU CA C 37 59.549 59.549 59.147 0.402 25067 8205 1 14 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.726 0.422 25067 8206 1 14 . 1 1 37 37 LEU H H 37 7.883 7.883 8.533 -0.649 25067 8207 1 14 . 1 1 38 38 LYS N N 38 116.604 116.604 117.747 -1.143 25067 8208 1 14 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.927 -0.131 25067 8209 1 14 . 1 1 38 38 LYS C C 38 178.246 178.246 178.768 -0.522 25067 8210 1 14 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.252 0.263 25067 8211 1 14 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.146 0.449 25067 8212 1 14 . 1 1 38 38 LYS H H 38 7.102 7.102 7.554 -0.452 25067 8213 1 14 . 1 1 39 39 LYS N N 39 118.823 118.823 119.493 -0.670 25067 8214 1 14 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.007 0.148 25067 8215 1 14 . 1 1 39 39 LYS C C 39 179.464 179.464 179.043 0.421 25067 8216 1 14 . 1 1 39 39 LYS CA C 39 59.126 59.126 58.964 0.162 25067 8217 1 14 . 1 1 39 39 LYS CB C 39 32.694 32.694 31.971 0.723 25067 8218 1 14 . 1 1 39 39 LYS H H 39 7.752 7.752 7.947 -0.195 25067 8219 1 14 . 1 1 40 40 VAL N N 40 119.336 119.336 119.274 0.062 25067 8220 1 14 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.465 -0.112 25067 8221 1 14 . 1 1 40 40 VAL C C 40 178.612 178.612 177.782 0.830 25067 8222 1 14 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.384 -0.048 25067 8223 1 14 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.261 -0.109 25067 8224 1 14 . 1 1 40 40 VAL H H 40 8.925 8.925 7.846 1.079 25067 8225 1 14 . 1 1 41 41 ALA N N 41 120.709 120.709 121.413 -0.704 25067 8226 1 14 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.932 -0.037 25067 8227 1 14 . 1 1 41 41 ALA C C 41 179.163 179.163 179.895 -0.732 25067 8228 1 14 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.127 -0.102 25067 8229 1 14 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.185 0.510 25067 8230 1 14 . 1 1 41 41 ALA H H 41 8.001 8.001 7.609 0.392 25067 8231 1 14 . 1 1 42 42 GLU N N 42 117.330 117.330 118.627 -1.297 25067 8232 1 14 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.087 -0.151 25067 8233 1 14 . 1 1 42 42 GLU C C 42 179.452 179.452 179.262 0.190 25067 8234 1 14 . 1 1 42 42 GLU CA C 42 59.611 59.611 58.917 0.694 25067 8235 1 14 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.381 0.358 25067 8236 1 14 . 1 1 42 42 GLU H H 42 8.197 8.197 8.136 0.061 25067 8237 1 14 . 1 1 43 43 LYS N N 43 119.586 119.586 119.621 -0.035 25067 8238 1 14 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.114 0.084 25067 8239 1 14 . 1 1 43 43 LYS C C 43 179.595 179.595 179.108 0.487 25067 8240 1 14 . 1 1 43 43 LYS CA C 43 58.769 58.769 59.146 -0.377 25067 8241 1 14 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.314 -0.243 25067 8242 1 14 . 1 1 43 43 LYS H H 43 8.119 8.119 7.830 0.289 25067 8243 1 14 . 1 1 44 44 ALA N N 44 121.948 121.948 121.238 0.710 25067 8244 1 14 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.229 0.037 25067 8245 1 14 . 1 1 44 44 ALA C C 44 178.937 178.937 179.406 -0.469 25067 8246 1 14 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.940 0.050 25067 8247 1 14 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.169 -0.368 25067 8248 1 14 . 1 1 44 44 ALA H H 44 8.396 8.396 7.907 0.489 25067 8249 1 14 . 1 1 45 45 ALA N N 45 118.814 118.814 119.976 -1.162 25067 8250 1 14 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.910 0.047 25067 8251 1 14 . 1 1 45 45 ALA C C 45 178.887 178.887 179.039 -0.152 25067 8252 1 14 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.789 0.779 25067 8253 1 14 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.314 -0.287 25067 8254 1 14 . 1 1 45 45 ALA H H 45 8.519 8.519 7.656 0.863 25067 8255 1 14 . 1 1 46 46 ASP N N 46 116.930 116.930 118.214 -1.284 25067 8256 1 14 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.400 -0.001 25067 8257 1 14 . 1 1 46 46 ASP C C 46 178.020 178.020 178.249 -0.229 25067 8258 1 14 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.334 0.305 25067 8259 1 14 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.845 0.991 25067 8260 1 14 . 1 1 46 46 ASP H H 46 7.852 7.852 7.911 -0.059 25067 8261 1 14 . 1 1 47 47 LYS N N 47 119.467 119.467 119.457 0.010 25067 8262 1 14 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.120 -0.027 25067 8263 1 14 . 1 1 47 47 LYS C C 47 178.924 178.924 179.035 -0.111 25067 8264 1 14 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.758 0.914 25067 8265 1 14 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.019 0.492 25067 8266 1 14 . 1 1 47 47 LYS H H 47 7.692 7.692 7.440 0.252 25067 8267 1 14 . 1 1 48 48 ILE N N 48 119.929 119.929 119.852 0.077 25067 8268 1 14 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.938 -0.198 25067 8269 1 14 . 1 1 48 48 ILE C C 48 179.025 179.025 178.465 0.560 25067 8270 1 14 . 1 1 48 48 ILE CA C 48 64.978 64.978 63.480 1.498 25067 8271 1 14 . 1 1 48 48 ILE CB C 48 38.292 38.292 36.639 1.653 25067 8272 1 14 . 1 1 48 48 ILE H H 48 8.585 8.585 7.735 0.850 25067 8273 1 14 . 1 1 49 49 LYS N N 49 119.534 119.534 121.099 -1.565 25067 8274 1 14 . 1 1 49 49 LYS HA H 49 4.017 4.017 3.945 0.072 25067 8275 1 14 . 1 1 49 49 LYS C C 49 179.025 179.025 178.705 0.320 25067 8276 1 14 . 1 1 49 49 LYS CA C 49 59.647 59.647 59.670 -0.023 25067 8277 1 14 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.339 0.262 25067 8278 1 14 . 1 1 49 49 LYS H H 49 8.353 8.353 7.703 0.650 25067 8279 1 14 . 1 1 50 50 LYS N N 50 117.423 117.423 117.977 -0.554 25067 8280 1 14 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.316 -0.100 25067 8281 1 14 . 1 1 50 50 LYS C C 50 178.510 178.510 179.042 -0.532 25067 8282 1 14 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.515 -0.018 25067 8283 1 14 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.813 0.509 25067 8284 1 14 . 1 1 50 50 LYS H H 50 7.996 7.996 7.783 0.213 25067 8285 1 14 . 1 1 51 51 GLN N N 51 115.137 115.137 115.321 -0.184 25067 8286 1 14 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.681 -0.200 25067 8287 1 14 . 1 1 51 51 GLN C C 51 177.292 177.292 176.745 0.547 25067 8288 1 14 . 1 1 51 51 GLN CA C 51 56.007 56.007 54.692 1.315 25067 8289 1 14 . 1 1 51 51 GLN CB C 51 29.940 29.940 30.211 -0.271 25067 8290 1 14 . 1 1 51 51 GLN H H 51 8.384 8.384 7.897 0.487 25067 8291 1 14 . 1 1 52 52 GLY N N 52 109.119 109.119 109.433 -0.314 25067 8292 1 14 . 1 1 52 52 GLY C C 52 174.391 174.391 174.358 0.033 25067 8293 1 14 . 1 1 52 52 GLY CA C 52 46.560 46.560 46.195 0.365 25067 8294 1 14 . 1 1 52 52 GLY H H 52 8.218 8.218 8.175 0.043 25067 8295 1 14 . 1 1 53 53 CYS N N 53 116.935 116.935 119.654 -2.719 25067 8296 1 14 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.222 0.263 25067 8297 1 14 . 1 1 53 53 CYS C C 53 173.989 173.989 175.172 -1.183 25067 8298 1 14 . 1 1 53 53 CYS CA C 53 58.148 58.148 58.984 -0.836 25067 8299 1 14 . 1 1 53 53 CYS CB C 53 28.714 28.714 25.694 3.020 25067 8300 1 14 . 1 1 53 53 CYS H H 53 7.623 7.623 8.152 -0.529 25067 8301 1 14 . 1 1 54 54 LYS N N 54 120.659 120.659 116.446 4.213 25067 8302 1 14 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.415 0.085 25067 8303 1 14 . 1 1 54 54 LYS C C 54 174.793 174.793 176.717 -1.924 25067 8304 1 14 . 1 1 54 54 LYS CA C 54 56.326 56.326 58.345 -2.019 25067 8305 1 14 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.917 0.793 25067 8306 1 14 . 1 1 54 54 LYS H H 54 8.765 8.765 8.472 0.293 25067 8307 1 14 . 1 1 55 55 ARG N N 55 117.927 117.927 117.784 0.143 25067 8308 1 14 . 1 1 55 55 ARG HA H 55 5.443 5.443 5.070 0.373 25067 8309 1 14 . 1 1 55 55 ARG C C 55 174.517 174.517 174.631 -0.114 25067 8310 1 14 . 1 1 55 55 ARG CA C 55 54.589 54.589 54.787 -0.198 25067 8311 1 14 . 1 1 55 55 ARG CB C 55 33.616 33.616 33.101 0.515 25067 8312 1 14 . 1 1 55 55 ARG H H 55 7.603 7.603 7.347 0.256 25067 8313 1 14 . 1 1 56 56 VAL N N 56 122.079 122.079 123.593 -1.514 25067 8314 1 14 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.403 0.422 25067 8315 1 14 . 1 1 56 56 VAL C C 56 173.311 173.311 174.860 -1.549 25067 8316 1 14 . 1 1 56 56 VAL CA C 56 60.285 60.285 61.605 -1.320 25067 8317 1 14 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.023 0.907 25067 8318 1 14 . 1 1 56 56 VAL H H 56 8.853 8.853 8.994 -0.141 25067 8319 1 14 . 1 1 57 57 LYS N N 57 125.849 125.849 128.186 -2.337 25067 8320 1 14 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.582 1.022 25067 8321 1 14 . 1 1 57 57 LYS C C 57 174.881 174.881 175.163 -0.282 25067 8322 1 14 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.635 -0.897 25067 8323 1 14 . 1 1 57 57 LYS CB C 57 35.935 35.935 33.997 1.938 25067 8324 1 14 . 1 1 57 57 LYS H H 57 8.819 8.819 8.805 0.014 25067 8325 1 14 . 1 1 58 58 ILE N N 58 125.213 125.213 125.445 -0.232 25067 8326 1 14 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.348 0.819 25067 8327 1 14 . 1 1 58 58 ILE C C 58 174.981 174.981 174.293 0.688 25067 8328 1 14 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.805 -0.209 25067 8329 1 14 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.725 2.134 25067 8330 1 14 . 1 1 58 58 ILE H H 58 9.204 9.204 8.662 0.542 25067 8331 1 14 . 1 1 59 59 ARG N N 59 124.047 124.047 129.065 -5.018 25067 8332 1 14 . 1 1 59 59 ARG HA H 59 6.101 6.101 4.881 1.220 25067 8333 1 14 . 1 1 59 59 ARG C C 59 175.144 175.144 173.930 1.214 25067 8334 1 14 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.823 -0.732 25067 8335 1 14 . 1 1 59 59 ARG CB C 59 36.035 36.035 34.225 1.810 25067 8336 1 14 . 1 1 59 59 ARG H H 59 9.467 9.467 8.241 1.226 25067 8337 1 14 . 1 1 60 60 PHE N N 60 113.223 113.223 125.772 -12.549 25067 8338 1 14 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.853 0.351 25067 8339 1 14 . 1 1 60 60 PHE C C 60 173.110 173.110 172.868 0.242 25067 8340 1 14 . 1 1 60 60 PHE CA C 60 56.931 56.931 57.472 -0.541 25067 8341 1 14 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.395 -1.015 25067 8342 1 14 . 1 1 60 60 PHE H H 60 8.451 8.451 8.490 -0.039 25067 8343 1 14 . 1 1 61 61 GLU N N 61 121.333 121.333 126.557 -5.224 25067 8344 1 14 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.533 0.111 25067 8345 1 14 . 1 1 61 61 GLU C C 61 177.147 177.147 175.588 1.559 25067 8346 1 14 . 1 1 61 61 GLU CA C 61 55.965 55.965 55.289 0.676 25067 8347 1 14 . 1 1 61 61 GLU CB C 61 30.698 30.698 31.846 -1.148 25067 8348 1 14 . 1 1 61 61 GLU H H 61 9.572 9.572 8.515 1.057 25067 8349 1 14 . 1 1 62 62 LYS N N 62 121.311 121.311 122.179 -0.868 25067 8350 1 14 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.456 -0.113 25067 8351 1 14 . 1 1 62 62 LYS C C 62 177.398 177.398 175.848 1.550 25067 8352 1 14 . 1 1 62 62 LYS CA C 62 58.185 58.185 54.709 3.476 25067 8353 1 14 . 1 1 62 62 LYS CB C 62 32.937 32.937 34.127 -1.190 25067 8354 1 14 . 1 1 62 62 LYS H H 62 8.160 8.160 8.226 -0.066 25067 8355 1 14 . 1 1 63 63 LYS N N 63 120.742 120.742 116.729 4.013 25067 8356 1 14 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.094 0.024 25067 8357 1 14 . 1 1 63 63 LYS C C 63 177.015 177.015 175.983 1.032 25067 8358 1 14 . 1 1 63 63 LYS CA C 63 58.693 58.693 57.369 1.324 25067 8359 1 14 . 1 1 63 63 LYS CB C 63 31.677 31.677 30.615 1.062 25067 8360 1 14 . 1 1 63 63 LYS H H 63 8.028 8.028 8.817 -0.789 25067 8361 1 14 . 1 1 64 64 GLY C C 64 174.039 174.039 174.228 -0.189 25067 8362 1 14 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.111 -0.249 25067 8363 1 14 . 1 1 65 65 LEU N N 65 119.849 119.849 120.689 -0.840 25067 8364 1 14 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.407 0.217 25067 8365 1 14 . 1 1 65 65 LEU C C 65 177.493 177.493 175.886 1.607 25067 8366 1 14 . 1 1 65 65 LEU CA C 65 54.128 54.128 55.768 -1.640 25067 8367 1 14 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.483 1.203 25067 8368 1 14 . 1 1 65 65 LEU H H 65 7.836 7.836 7.848 -0.012 25067 8369 1 14 . 1 1 66 66 ASP N N 66 123.296 123.296 115.287 8.009 25067 8370 1 14 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.598 0.074 25067 8371 1 14 . 1 1 66 66 ASP C C 66 175.471 175.471 174.710 0.761 25067 8372 1 14 . 1 1 66 66 ASP CA C 66 52.820 52.820 53.680 -0.860 25067 8373 1 14 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.136 -1.119 25067 8374 1 14 . 1 1 66 66 ASP H H 66 8.226 8.226 7.657 0.569 25067 8375 1 14 . 1 1 67 67 ASP N N 67 118.859 118.859 123.813 -4.954 25067 8376 1 14 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.247 -0.004 25067 8377 1 14 . 1 1 67 67 ASP C C 67 178.121 178.121 177.425 0.696 25067 8378 1 14 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.095 1.378 25067 8379 1 14 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.094 -0.028 25067 8380 1 14 . 1 1 67 67 ASP H H 67 8.529 8.529 8.637 -0.108 25067 8381 1 14 . 1 1 68 68 ASP N N 68 119.187 119.187 118.738 0.449 25067 8382 1 14 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.488 -0.148 25067 8383 1 14 . 1 1 68 68 ASP C C 68 177.807 177.807 177.847 -0.040 25067 8384 1 14 . 1 1 68 68 ASP CA C 68 57.481 57.481 56.449 1.032 25067 8385 1 14 . 1 1 68 68 ASP CB C 68 41.459 41.459 41.104 0.355 25067 8386 1 14 . 1 1 68 68 ASP H H 68 8.244 8.244 8.006 0.238 25067 8387 1 14 . 1 1 69 69 ALA N N 69 122.537 122.537 122.266 0.271 25067 8388 1 14 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.062 -0.434 25067 8389 1 14 . 1 1 69 69 ALA C C 69 179.452 179.452 179.484 -0.032 25067 8390 1 14 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.701 0.315 25067 8391 1 14 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.466 0.697 25067 8392 1 14 . 1 1 69 69 ALA H H 69 8.191 8.191 7.788 0.403 25067 8393 1 14 . 1 1 70 70 ARG N N 70 115.799 115.799 118.583 -2.784 25067 8394 1 14 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.929 -0.206 25067 8395 1 14 . 1 1 70 70 ARG C C 70 178.183 178.183 177.749 0.434 25067 8396 1 14 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.964 0.384 25067 8397 1 14 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.093 0.519 25067 8398 1 14 . 1 1 70 70 ARG H H 70 8.419 8.419 8.361 0.058 25067 8399 1 14 . 1 1 71 71 LYS N N 71 118.170 118.170 118.970 -0.800 25067 8400 1 14 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.997 -0.160 25067 8401 1 14 . 1 1 71 71 LYS C C 71 179.891 179.891 178.705 1.186 25067 8402 1 14 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.505 0.145 25067 8403 1 14 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.198 0.221 25067 8404 1 14 . 1 1 71 71 LYS H H 71 7.781 7.781 7.694 0.087 25067 8405 1 14 . 1 1 72 72 LYS N N 72 119.730 119.730 117.791 1.939 25067 8406 1 14 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.103 -0.367 25067 8407 1 14 . 1 1 72 72 LYS C C 72 178.874 178.874 178.777 0.097 25067 8408 1 14 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.833 0.740 25067 8409 1 14 . 1 1 72 72 LYS CB C 72 32.393 32.393 32.005 0.388 25067 8410 1 14 . 1 1 72 72 LYS H H 72 7.835 7.835 7.556 0.279 25067 8411 1 14 . 1 1 73 73 ALA N N 73 123.068 123.068 122.987 0.081 25067 8412 1 14 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.667 0.088 25067 8413 1 14 . 1 1 73 73 ALA C C 73 178.246 178.246 179.193 -0.947 25067 8414 1 14 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.818 0.532 25067 8415 1 14 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.958 -0.312 25067 8416 1 14 . 1 1 73 73 ALA H H 73 8.343 8.343 7.760 0.583 25067 8417 1 14 . 1 1 74 74 LYS N N 74 117.936 117.936 119.361 -1.425 25067 8418 1 14 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.451 0.193 25067 8419 1 14 . 1 1 74 74 LYS C C 74 177.694 177.694 178.486 -0.792 25067 8420 1 14 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.210 1.111 25067 8421 1 14 . 1 1 74 74 LYS CB C 74 32.675 32.675 31.886 0.789 25067 8422 1 14 . 1 1 74 74 LYS H H 74 7.934 7.934 7.890 0.044 25067 8423 1 14 . 1 1 75 75 LYS N N 75 116.863 116.863 118.823 -1.960 25067 8424 1 14 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.022 -0.043 25067 8425 1 14 . 1 1 75 75 LYS C C 75 178.884 178.884 178.629 0.255 25067 8426 1 14 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.388 0.021 25067 8427 1 14 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.169 0.328 25067 8428 1 14 . 1 1 75 75 LYS H H 75 7.371 7.371 7.814 -0.443 25067 8429 1 14 . 1 1 76 76 TRP N N 76 121.108 121.108 121.739 -0.631 25067 8430 1 14 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.456 -0.259 25067 8431 1 14 . 1 1 76 76 TRP C C 76 177.618 177.618 178.220 -0.602 25067 8432 1 14 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.188 0.538 25067 8433 1 14 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.125 0.868 25067 8434 1 14 . 1 1 76 76 TRP H H 76 8.156 8.156 7.779 0.377 25067 8435 1 14 . 1 1 77 77 ALA N N 77 120.099 120.099 120.450 -0.351 25067 8436 1 14 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.886 0.213 25067 8437 1 14 . 1 1 77 77 ALA C C 77 179.125 179.125 179.932 -0.807 25067 8438 1 14 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.004 0.644 25067 8439 1 14 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.260 0.059 25067 8440 1 14 . 1 1 77 77 ALA H H 77 8.883 8.883 8.006 0.877 25067 8441 1 14 . 1 1 78 78 LEU N N 78 116.584 116.584 118.986 -2.402 25067 8442 1 14 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.856 0.275 25067 8443 1 14 . 1 1 78 78 LEU C C 78 179.828 179.828 179.144 0.684 25067 8444 1 14 . 1 1 78 78 LEU CA C 78 57.843 57.843 58.023 -0.180 25067 8445 1 14 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.605 0.093 25067 8446 1 14 . 1 1 78 78 LEU H H 78 8.238 8.238 7.657 0.581 25067 8447 1 14 . 1 1 79 79 GLU N N 79 121.435 121.435 119.538 1.897 25067 8448 1 14 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.909 0.194 25067 8449 1 14 . 1 1 79 79 GLU C C 79 180.004 180.004 179.288 0.716 25067 8450 1 14 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.431 -0.061 25067 8451 1 14 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.499 -0.377 25067 8452 1 14 . 1 1 79 79 GLU H H 79 8.296 8.296 7.636 0.660 25067 8453 1 14 . 1 1 80 80 VAL N N 80 122.863 122.863 119.729 3.134 25067 8454 1 14 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.337 0.018 25067 8455 1 14 . 1 1 80 80 VAL C C 80 177.044 177.044 177.764 -0.720 25067 8456 1 14 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.331 0.138 25067 8457 1 14 . 1 1 80 80 VAL CB C 80 30.698 30.698 31.099 -0.401 25067 8458 1 14 . 1 1 80 80 VAL H H 80 8.603 8.603 7.870 0.733 25067 8459 1 14 . 1 1 81 81 ALA N N 81 122.490 122.490 121.812 0.678 25067 8460 1 14 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.821 -0.088 25067 8461 1 14 . 1 1 81 81 ALA C C 81 178.529 178.529 179.405 -0.876 25067 8462 1 14 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.436 0.209 25067 8463 1 14 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.270 0.145 25067 8464 1 14 . 1 1 81 81 ALA H H 81 7.684 7.684 7.850 -0.166 25067 8465 1 14 . 1 1 82 82 ASN N N 82 114.569 114.569 114.953 -0.384 25067 8466 1 14 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.457 -0.079 25067 8467 1 14 . 1 1 82 82 ASN C C 82 177.505 177.505 177.552 -0.047 25067 8468 1 14 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.653 0.550 25067 8469 1 14 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.439 0.395 25067 8470 1 14 . 1 1 82 82 ASN H H 82 7.752 7.752 7.872 -0.120 25067 8471 1 14 . 1 1 83 83 LYS N N 83 121.384 121.384 121.668 -0.284 25067 8472 1 14 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.049 0.045 25067 8473 1 14 . 1 1 83 83 LYS C C 83 179.037 179.037 178.525 0.512 25067 8474 1 14 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.603 0.471 25067 8475 1 14 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.989 0.159 25067 8476 1 14 . 1 1 83 83 LYS H H 83 8.343 8.343 7.812 0.531 25067 8477 1 14 . 1 1 84 84 ILE N N 84 120.298 120.298 118.586 1.712 25067 8478 1 14 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.658 -0.173 25067 8479 1 14 . 1 1 84 84 ILE C C 84 177.063 177.063 177.847 -0.784 25067 8480 1 14 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.281 0.907 25067 8481 1 14 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.670 0.718 25067 8482 1 14 . 1 1 84 84 ILE H H 84 8.496 8.496 7.822 0.674 25067 8483 1 14 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.839 -0.023 25067 8484 1 14 . 1 1 85 85 ALA C C 85 179.891 179.891 179.056 0.835 25067 8485 1 14 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.323 0.468 25067 8486 1 14 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.103 -0.055 25067 8487 1 14 . 1 1 85 85 ALA H H 85 7.768 7.768 7.650 0.118 25067 8488 1 14 . 1 1 86 86 ASN N N 86 116.155 116.155 115.063 1.092 25067 8489 1 14 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.474 0.061 25067 8490 1 14 . 1 1 86 86 ASN C C 86 178.423 178.423 176.768 1.655 25067 8491 1 14 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.281 0.826 25067 8492 1 14 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.688 0.096 25067 8493 1 14 . 1 1 86 86 ASN H H 86 8.355 8.355 7.806 0.549 25067 8494 1 14 . 1 1 87 87 GLU N N 87 120.806 120.806 119.150 1.656 25067 8495 1 14 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.033 0.143 25067 8496 1 14 . 1 1 87 87 GLU C C 87 178.381 178.381 178.343 0.038 25067 8497 1 14 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.314 0.595 25067 8498 1 14 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.647 0.005 25067 8499 1 14 . 1 1 87 87 GLU H H 87 8.431 8.431 8.010 0.421 25067 8500 1 14 . 1 1 88 88 LEU N N 88 115.825 115.825 116.347 -0.522 25067 8501 1 14 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.297 0.059 25067 8502 1 14 . 1 1 88 88 LEU C C 88 177.442 177.442 176.964 0.478 25067 8503 1 14 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.134 -0.557 25067 8504 1 14 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.797 0.703 25067 8505 1 14 . 1 1 88 88 LEU H H 88 7.547 7.547 7.532 0.015 25067 8506 1 14 . 1 1 89 89 GLY N N 89 109.579 109.579 105.186 4.393 25067 8507 1 14 . 1 1 89 89 GLY C C 89 174.321 174.321 173.298 1.023 25067 8508 1 14 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.290 1.218 25067 8509 1 14 . 1 1 89 89 GLY H H 89 7.934 7.934 7.691 0.243 25067 8510 1 14 . 1 1 90 90 ALA N N 90 120.990 120.990 120.309 0.681 25067 8511 1 14 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.495 0.154 25067 8512 1 14 . 1 1 90 90 ALA C C 90 177.053 177.053 176.151 0.902 25067 8513 1 14 . 1 1 90 90 ALA CA C 90 51.074 51.074 50.468 0.607 25067 8514 1 14 . 1 1 90 90 ALA CB C 90 21.819 21.819 21.469 0.350 25067 8515 1 14 . 1 1 90 90 ALA H H 90 8.017 8.017 7.630 0.387 25067 8516 1 14 . 1 1 91 91 LYS N N 91 120.615 120.615 119.197 1.418 25067 8517 1 14 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.083 0.333 25067 8518 1 14 . 1 1 91 91 LYS C C 91 175.765 175.765 177.080 -1.315 25067 8519 1 14 . 1 1 91 91 LYS CA C 91 56.179 56.179 56.545 -0.366 25067 8520 1 14 . 1 1 91 91 LYS CB C 91 32.742 32.742 32.916 -0.173 25067 8521 1 14 . 1 1 91 91 LYS H H 91 8.366 8.366 8.321 0.045 25067 8522 1 14 . 1 1 92 92 GLN N N 92 119.273 119.273 122.180 -2.907 25067 8523 1 14 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.375 0.786 25067 8524 1 14 . 1 1 92 92 GLN C C 92 175.136 175.136 176.114 -0.978 25067 8525 1 14 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.248 -1.138 25067 8526 1 14 . 1 1 92 92 GLN CB C 92 30.681 30.681 29.941 0.740 25067 8527 1 14 . 1 1 92 92 GLN H H 92 8.495 8.495 8.369 0.126 25067 8528 1 14 . 1 1 93 93 SER N N 93 117.003 117.003 115.469 1.534 25067 8529 1 14 . 1 1 93 93 SER HA H 93 4.781 4.781 4.787 -0.006 25067 8530 1 14 . 1 1 93 93 SER C C 93 173.735 173.735 174.436 -0.701 25067 8531 1 14 . 1 1 93 93 SER CA C 93 57.819 57.819 57.677 0.142 25067 8532 1 14 . 1 1 93 93 SER CB C 93 64.648 64.648 64.245 0.403 25067 8533 1 14 . 1 1 93 93 SER H H 93 8.441 8.441 8.451 -0.010 25067 8534 1 14 . 1 1 94 94 THR HA H 94 4.781 4.781 4.664 0.117 25067 8535 1 14 . 1 1 94 94 THR CA C 94 61.111 61.111 61.085 0.026 25067 8536 1 14 . 1 1 94 94 THR CB C 94 71.032 71.032 69.709 1.323 25067 8537 1 14 . 1 1 95 95 THR N N 95 119.923 119.923 120.924 -1.001 25067 8538 1 14 . 1 1 95 95 THR HA H 95 5.098 5.098 4.503 0.595 25067 8539 1 14 . 1 1 95 95 THR CA C 95 60.438 60.438 60.976 -0.538 25067 8540 1 14 . 1 1 95 95 THR CB C 95 70.780 70.780 70.760 0.020 25067 8541 1 14 . 1 1 95 95 THR H H 95 8.762 8.762 8.331 0.431 25067 8542 1 14 . 1 1 96 96 THR HA H 96 4.367 4.367 4.691 -0.324 25067 8543 1 14 . 1 1 96 96 THR CA C 96 61.740 61.740 61.882 -0.142 25067 8544 1 14 . 1 1 96 96 THR CB C 96 70.992 70.992 71.140 -0.148 25067 8545 1 14 . 1 1 97 97 THR N N 97 120.315 120.315 121.330 -1.015 25067 8546 1 14 . 1 1 97 97 THR HA H 97 5.363 5.363 4.851 0.512 25067 8547 1 14 . 1 1 97 97 THR CA C 97 61.379 61.379 61.451 -0.072 25067 8548 1 14 . 1 1 97 97 THR CB C 97 71.216 71.216 69.461 1.755 25067 8549 1 14 . 1 1 97 97 THR H H 97 8.999 8.999 8.668 0.331 25067 8550 1 14 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.811 0.381 25067 8551 1 14 . 1 1 98 98 ASP C C 98 175.672 175.672 178.001 -2.329 25067 8552 1 14 . 1 1 98 98 ASP CA C 98 52.593 52.593 53.110 -0.517 25067 8553 1 14 . 1 1 98 98 ASP CB C 98 41.735 41.735 43.743 -2.008 25067 8554 1 14 . 1 1 99 99 GLY N N 99 111.919 111.919 110.793 1.126 25067 8555 1 14 . 1 1 99 99 GLY C C 99 174.049 174.049 175.225 -1.176 25067 8556 1 14 . 1 1 99 99 GLY CA C 99 45.026 45.026 47.406 -2.380 25067 8557 1 14 . 1 1 99 99 GLY H H 99 7.817 7.817 8.729 -0.912 25067 8558 1 14 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.702 -0.148 25067 8559 1 14 . 1 1 100 100 ASP C C 100 177.518 177.518 177.000 0.518 25067 8560 1 14 . 1 1 100 100 ASP CA C 100 57.488 57.488 55.699 1.789 25067 8561 1 14 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.794 -0.157 25067 8562 1 14 . 1 1 101 101 THR N N 101 112.835 112.835 116.869 -4.034 25067 8563 1 14 . 1 1 101 101 THR HA H 101 4.613 4.613 4.372 0.241 25067 8564 1 14 . 1 1 101 101 THR C C 101 173.003 173.003 173.525 -0.522 25067 8565 1 14 . 1 1 101 101 THR CA C 101 60.857 60.857 63.945 -3.088 25067 8566 1 14 . 1 1 101 101 THR CB C 101 70.589 70.589 70.013 0.576 25067 8567 1 14 . 1 1 101 101 THR H H 101 7.819 7.819 8.135 -0.316 25067 8568 1 14 . 1 1 102 102 PHE N N 102 126.633 126.633 122.836 3.797 25067 8569 1 14 . 1 1 102 102 PHE HA H 102 4.891 4.891 5.198 -0.307 25067 8570 1 14 . 1 1 102 102 PHE C C 102 173.286 173.286 172.972 0.314 25067 8571 1 14 . 1 1 102 102 PHE CA C 102 57.173 57.173 56.876 0.297 25067 8572 1 14 . 1 1 102 102 PHE CB C 102 40.719 40.719 42.346 -1.627 25067 8573 1 14 . 1 1 102 102 PHE H H 102 8.581 8.581 9.016 -0.435 25067 8574 1 14 . 1 1 103 103 GLU N N 103 125.528 125.528 126.973 -1.445 25067 8575 1 14 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.212 0.025 25067 8576 1 14 . 1 1 103 103 GLU C C 103 173.851 173.851 174.576 -0.725 25067 8577 1 14 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.411 -0.351 25067 8578 1 14 . 1 1 103 103 GLU CB C 103 34.318 34.318 34.146 0.172 25067 8579 1 14 . 1 1 103 103 GLU H H 103 7.986 7.986 8.698 -0.712 25067 8580 1 14 . 1 1 104 104 VAL N N 104 124.582 124.582 123.841 0.741 25067 8581 1 14 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.477 0.167 25067 8582 1 14 . 1 1 104 104 VAL C C 104 173.763 173.763 174.256 -0.493 25067 8583 1 14 . 1 1 104 104 VAL CA C 104 59.963 59.963 60.511 -0.548 25067 8584 1 14 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.122 1.248 25067 8585 1 14 . 1 1 104 104 VAL H H 104 9.245 9.245 8.760 0.485 25067 8586 1 14 . 1 1 105 105 GLU N N 105 127.755 127.755 128.738 -0.983 25067 8587 1 14 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.715 0.537 25067 8588 1 14 . 1 1 105 105 GLU C C 105 174.572 174.572 174.928 -0.356 25067 8589 1 14 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.354 0.005 25067 8590 1 14 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.023 1.795 25067 8591 1 14 . 1 1 105 105 GLU H H 105 9.040 9.040 8.410 0.630 25067 8592 1 14 . 1 1 106 106 VAL N N 106 127.452 127.452 128.033 -0.581 25067 8593 1 14 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.250 0.518 25067 8594 1 14 . 1 1 106 106 VAL C C 106 174.692 174.692 174.963 -0.271 25067 8595 1 14 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.254 -0.831 25067 8596 1 14 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.381 1.761 25067 8597 1 14 . 1 1 106 106 VAL H H 106 9.315 9.315 8.761 0.554 25067 8598 1 14 . 1 1 107 107 ILE N N 107 127.006 127.006 128.930 -1.924 25067 8599 1 14 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.304 0.313 25067 8600 1 14 . 1 1 107 107 ILE C C 107 176.187 176.187 175.410 0.777 25067 8601 1 14 . 1 1 107 107 ILE CA C 107 60.406 60.406 60.724 -0.318 25067 8602 1 14 . 1 1 107 107 ILE CB C 107 38.521 38.521 37.372 1.149 25067 8603 1 14 . 1 1 107 107 ILE H H 107 8.814 8.814 8.514 0.300 25067 8604 1 14 . 1 1 108 108 LEU N N 108 128.313 128.313 130.018 -1.705 25067 8605 1 14 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.699 0.058 25067 8606 1 14 . 1 1 108 108 LEU C C 108 176.058 176.058 175.711 0.347 25067 8607 1 14 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.573 0.551 25067 8608 1 14 . 1 1 108 108 LEU CB C 108 43.074 43.074 42.046 1.028 25067 8609 1 14 . 1 1 108 108 LEU H H 108 8.652 8.652 8.284 0.368 25067 8610 1 14 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.494 0.038 25067 8611 1 14 . 1 1 109 109 GLU C C 109 175.408 175.408 175.439 -0.031 25067 8612 1 14 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.518 -0.157 25067 8613 1 14 . 1 1 109 109 GLU CB C 109 30.647 30.647 30.605 0.042 25067 8614 1 14 . 1 1 110 110 LEU N N 110 125.467 125.467 126.623 -1.156 25067 8615 1 14 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.557 -0.156 25067 8616 1 14 . 1 1 110 110 LEU C C 110 176.854 176.854 176.478 0.376 25067 8617 1 14 . 1 1 110 110 LEU CA C 110 54.969 54.969 53.936 1.033 25067 8618 1 14 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.456 0.059 25067 8619 1 14 . 1 1 110 110 LEU H H 110 8.402 8.402 8.535 -0.133 25067 8620 1 14 . 1 1 111 111 GLU N N 111 121.575 121.575 126.265 -4.690 25067 8621 1 14 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.272 -0.011 25067 8622 1 14 . 1 1 111 111 GLU CA C 111 56.521 56.521 56.221 0.300 25067 8623 1 14 . 1 1 111 111 GLU CB C 111 30.291 30.291 28.723 1.568 25067 8624 1 14 . 1 1 111 111 GLU H H 111 8.607 8.607 8.896 -0.289 25067 8625 1 15 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.349 -0.229 25067 8626 1 15 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.569 -0.409 25067 8627 1 15 . 1 1 2 2 ALA CB C 2 19.392 19.392 19.667 -0.275 25067 8628 1 15 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.434 -0.056 25067 8629 1 15 . 1 1 4 4 LYS C C 4 176.563 176.563 176.288 0.275 25067 8630 1 15 . 1 1 4 4 LYS CA C 4 56.384 56.384 55.669 0.715 25067 8631 1 15 . 1 1 4 4 LYS CB C 4 33.156 33.156 33.605 -0.450 25067 8632 1 15 . 1 1 5 5 GLU N N 5 122.511 122.511 119.285 3.226 25067 8633 1 15 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.606 -0.229 25067 8634 1 15 . 1 1 5 5 GLU C C 5 176.099 176.099 175.144 0.955 25067 8635 1 15 . 1 1 5 5 GLU CA C 5 56.384 56.384 54.809 1.575 25067 8636 1 15 . 1 1 5 5 GLU CB C 5 29.803 29.803 32.237 -2.434 25067 8637 1 15 . 1 1 5 5 GLU H H 5 8.601 8.601 7.758 0.843 25067 8638 1 15 . 1 1 6 6 LEU N N 6 124.063 124.063 121.328 2.735 25067 8639 1 15 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.353 0.046 25067 8640 1 15 . 1 1 6 6 LEU C C 6 175.082 175.082 176.877 -1.795 25067 8641 1 15 . 1 1 6 6 LEU CA C 6 54.725 54.725 55.281 -0.556 25067 8642 1 15 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.682 0.531 25067 8643 1 15 . 1 1 6 6 LEU H H 6 8.409 8.409 8.639 -0.230 25067 8644 1 15 . 1 1 7 7 ARG N N 7 122.244 122.244 125.269 -3.025 25067 8645 1 15 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.229 0.216 25067 8646 1 15 . 1 1 7 7 ARG C C 7 174.768 174.768 174.947 -0.179 25067 8647 1 15 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.471 -0.781 25067 8648 1 15 . 1 1 7 7 ARG CB C 7 32.090 32.090 29.414 2.676 25067 8649 1 15 . 1 1 7 7 ARG H H 7 8.016 8.016 8.766 -0.750 25067 8650 1 15 . 1 1 8 8 VAL N N 8 123.767 123.767 119.495 4.272 25067 8651 1 15 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.578 -0.286 25067 8652 1 15 . 1 1 8 8 VAL C C 8 173.562 173.562 174.972 -1.410 25067 8653 1 15 . 1 1 8 8 VAL CA C 8 60.842 60.842 59.774 1.068 25067 8654 1 15 . 1 1 8 8 VAL CB C 8 34.184 34.184 34.688 -0.504 25067 8655 1 15 . 1 1 8 8 VAL H H 8 8.659 8.659 7.971 0.688 25067 8656 1 15 . 1 1 9 9 GLU N N 9 127.779 127.779 127.130 0.649 25067 8657 1 15 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.629 0.261 25067 8658 1 15 . 1 1 9 9 GLU C C 9 175.446 175.446 175.159 0.287 25067 8659 1 15 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.957 0.526 25067 8660 1 15 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.777 -0.027 25067 8661 1 15 . 1 1 9 9 GLU H H 9 8.513 8.513 8.281 0.232 25067 8662 1 15 . 1 1 10 10 ILE N N 10 127.770 127.770 126.082 1.688 25067 8663 1 15 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.486 0.414 25067 8664 1 15 . 1 1 10 10 ILE C C 10 174.981 174.981 175.144 -0.163 25067 8665 1 15 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.724 -1.300 25067 8666 1 15 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.197 1.448 25067 8667 1 15 . 1 1 10 10 ILE H H 10 9.199 9.199 8.575 0.624 25067 8668 1 15 . 1 1 11 11 LYS N N 11 125.866 125.866 128.788 -2.922 25067 8669 1 15 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.605 -0.167 25067 8670 1 15 . 1 1 11 11 LYS C C 11 175.835 175.835 175.006 0.829 25067 8671 1 15 . 1 1 11 11 LYS CA C 11 54.817 54.817 53.340 1.477 25067 8672 1 15 . 1 1 11 11 LYS CB C 11 35.060 35.060 36.927 -1.867 25067 8673 1 15 . 1 1 11 11 LYS H H 11 9.257 9.257 9.060 0.197 25067 8674 1 15 . 1 1 12 12 ILE N N 12 121.799 121.799 124.277 -2.478 25067 8675 1 15 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.430 0.869 25067 8676 1 15 . 1 1 12 12 ILE C C 12 175.132 175.132 174.035 1.097 25067 8677 1 15 . 1 1 12 12 ILE CA C 12 59.134 59.134 59.599 -0.465 25067 8678 1 15 . 1 1 12 12 ILE CB C 12 39.666 39.666 40.025 -0.359 25067 8679 1 15 . 1 1 12 12 ILE H H 12 9.075 9.075 8.432 0.643 25067 8680 1 15 . 1 1 13 13 ASP N N 13 129.263 129.263 126.186 3.077 25067 8681 1 15 . 1 1 13 13 ASP HA H 13 5.209 5.209 5.077 0.132 25067 8682 1 15 . 1 1 13 13 ASP C C 13 175.898 175.898 175.627 0.271 25067 8683 1 15 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.616 -0.885 25067 8684 1 15 . 1 1 13 13 ASP CB C 13 43.750 43.750 43.641 0.109 25067 8685 1 15 . 1 1 13 13 ASP H H 13 9.415 9.415 8.126 1.289 25067 8686 1 15 . 1 1 14 14 CYS N N 14 122.767 122.767 121.795 0.972 25067 8687 1 15 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.544 0.388 25067 8688 1 15 . 1 1 14 14 CYS C C 14 174.228 174.228 175.196 -0.968 25067 8689 1 15 . 1 1 14 14 CYS CA C 14 58.269 58.269 59.331 -1.062 25067 8690 1 15 . 1 1 14 14 CYS CB C 14 28.447 28.447 28.355 0.092 25067 8691 1 15 . 1 1 14 14 CYS H H 14 9.274 9.274 8.892 0.382 25067 8692 1 15 . 1 1 15 15 GLY N N 15 110.606 110.606 109.323 1.283 25067 8693 1 15 . 1 1 15 15 GLY C C 15 173.986 173.986 173.410 0.576 25067 8694 1 15 . 1 1 15 15 GLY CA C 15 45.892 45.892 44.817 1.075 25067 8695 1 15 . 1 1 15 15 GLY H H 15 8.919 8.919 7.970 0.949 25067 8696 1 15 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.884 -0.088 25067 8697 1 15 . 1 1 16 16 ASN C C 16 175.157 175.157 174.846 0.311 25067 8698 1 15 . 1 1 16 16 ASN CA C 16 53.181 53.181 52.629 0.552 25067 8699 1 15 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.781 0.174 25067 8700 1 15 . 1 1 17 17 ASP N N 17 118.767 118.767 121.030 -2.263 25067 8701 1 15 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.530 0.059 25067 8702 1 15 . 1 1 17 17 ASP C C 17 175.493 175.493 176.200 -0.707 25067 8703 1 15 . 1 1 17 17 ASP CA C 17 54.533 54.533 55.317 -0.784 25067 8704 1 15 . 1 1 17 17 ASP CB C 17 40.992 40.992 40.923 0.069 25067 8705 1 15 . 1 1 17 17 ASP H H 17 8.409 8.409 8.290 0.119 25067 8706 1 15 . 1 1 18 18 ASP N N 18 119.912 119.912 114.040 5.872 25067 8707 1 15 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.218 0.388 25067 8708 1 15 . 1 1 18 18 ASP C C 18 175.870 175.870 175.410 0.460 25067 8709 1 15 . 1 1 18 18 ASP CA C 18 54.242 54.242 55.394 -1.152 25067 8710 1 15 . 1 1 18 18 ASP CB C 18 41.116 41.116 40.004 1.113 25067 8711 1 15 . 1 1 18 18 ASP H H 18 8.291 8.291 8.640 -0.349 25067 8712 1 15 . 1 1 19 19 LYS N N 19 120.828 120.828 120.076 0.752 25067 8713 1 15 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.320 0.119 25067 8714 1 15 . 1 1 19 19 LYS C C 19 176.121 176.121 175.950 0.171 25067 8715 1 15 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.490 0.156 25067 8716 1 15 . 1 1 19 19 LYS CB C 19 33.015 33.015 31.844 1.171 25067 8717 1 15 . 1 1 19 19 LYS H H 19 8.140 8.140 7.948 0.192 25067 8718 1 15 . 1 1 20 20 GLU N N 20 123.292 123.292 124.541 -1.249 25067 8719 1 15 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.246 0.294 25067 8720 1 15 . 1 1 20 20 GLU C C 20 176.413 176.413 176.460 -0.047 25067 8721 1 15 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.338 0.180 25067 8722 1 15 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.423 1.120 25067 8723 1 15 . 1 1 20 20 GLU H H 20 8.645 8.645 8.122 0.523 25067 8724 1 15 . 1 1 21 21 THR N N 21 119.747 119.747 122.805 -3.058 25067 8725 1 15 . 1 1 21 21 THR HA H 21 4.517 4.517 4.511 0.006 25067 8726 1 15 . 1 1 21 21 THR C C 21 173.148 173.148 173.086 0.062 25067 8727 1 15 . 1 1 21 21 THR CA C 21 61.989 61.989 61.061 0.928 25067 8728 1 15 . 1 1 21 21 THR CB C 21 70.485 70.485 69.869 0.616 25067 8729 1 15 . 1 1 21 21 THR H H 21 8.589 8.589 8.260 0.329 25067 8730 1 15 . 1 1 22 22 THR N N 22 119.539 119.539 118.248 1.291 25067 8731 1 15 . 1 1 22 22 THR HA H 22 5.342 5.342 5.500 -0.158 25067 8732 1 15 . 1 1 22 22 THR C C 22 173.148 173.148 173.962 -0.814 25067 8733 1 15 . 1 1 22 22 THR CA C 22 60.977 60.977 59.621 1.356 25067 8734 1 15 . 1 1 22 22 THR CB C 22 70.490 70.490 70.616 -0.126 25067 8735 1 15 . 1 1 22 22 THR H H 22 8.191 8.191 8.310 -0.119 25067 8736 1 15 . 1 1 23 23 TYR N N 23 123.279 123.279 121.980 1.299 25067 8737 1 15 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.574 0.080 25067 8738 1 15 . 1 1 23 23 TYR C C 23 173.400 173.400 175.767 -2.367 25067 8739 1 15 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.446 -0.464 25067 8740 1 15 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.163 2.155 25067 8741 1 15 . 1 1 23 23 TYR H H 23 9.268 9.268 8.336 0.932 25067 8742 1 15 . 1 1 24 24 ASP N N 24 121.837 121.837 125.124 -3.287 25067 8743 1 15 . 1 1 24 24 ASP HA H 24 4.844 4.844 4.659 0.185 25067 8744 1 15 . 1 1 24 24 ASP C C 24 173.400 173.400 175.329 -1.929 25067 8745 1 15 . 1 1 24 24 ASP CA C 24 53.469 53.469 54.445 -0.976 25067 8746 1 15 . 1 1 24 24 ASP CB C 24 41.941 41.941 40.533 1.408 25067 8747 1 15 . 1 1 24 24 ASP H H 24 8.484 8.484 8.616 -0.132 25067 8748 1 15 . 1 1 25 25 LEU N N 25 126.268 126.268 119.111 7.157 25067 8749 1 15 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.733 -0.633 25067 8750 1 15 . 1 1 25 25 LEU C C 25 174.677 174.677 173.842 0.835 25067 8751 1 15 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.653 -0.920 25067 8752 1 15 . 1 1 25 25 LEU CB C 25 42.626 42.626 45.261 -2.635 25067 8753 1 15 . 1 1 25 25 LEU H H 25 8.619 8.619 7.429 1.190 25067 8754 1 15 . 1 1 26 26 TYR N N 26 123.695 123.695 117.672 6.023 25067 8755 1 15 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.605 0.030 25067 8756 1 15 . 1 1 26 26 TYR C C 26 176.833 176.833 175.557 1.276 25067 8757 1 15 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.154 0.128 25067 8758 1 15 . 1 1 26 26 TYR CB C 26 38.143 38.143 40.821 -2.678 25067 8759 1 15 . 1 1 26 26 TYR H H 26 8.465 8.465 8.134 0.331 25067 8760 1 15 . 1 1 27 27 PHE N N 27 119.951 119.951 124.104 -4.153 25067 8761 1 15 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.448 0.338 25067 8762 1 15 . 1 1 27 27 PHE C C 27 176.205 176.205 176.259 -0.054 25067 8763 1 15 . 1 1 27 27 PHE CA C 27 60.136 60.136 56.679 3.457 25067 8764 1 15 . 1 1 27 27 PHE CB C 27 38.455 38.455 37.703 0.752 25067 8765 1 15 . 1 1 27 27 PHE H H 27 7.991 7.991 8.315 -0.324 25067 8766 1 15 . 1 1 28 28 SER N N 28 114.987 114.987 119.864 -4.877 25067 8767 1 15 . 1 1 28 28 SER HA H 28 4.455 4.455 4.538 -0.083 25067 8768 1 15 . 1 1 28 28 SER C C 28 174.517 174.517 174.746 -0.229 25067 8769 1 15 . 1 1 28 28 SER CA C 28 59.489 59.489 57.800 1.689 25067 8770 1 15 . 1 1 28 28 SER CB C 28 62.828 62.828 64.299 -1.471 25067 8771 1 15 . 1 1 28 28 SER H H 28 8.508 8.508 8.604 -0.096 25067 8772 1 15 . 1 1 29 29 LYS N N 29 123.721 123.721 122.193 1.528 25067 8773 1 15 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.002 0.651 25067 8774 1 15 . 1 1 29 29 LYS C C 29 175.954 175.954 177.159 -1.205 25067 8775 1 15 . 1 1 29 29 LYS CA C 29 54.695 54.695 57.559 -2.864 25067 8776 1 15 . 1 1 29 29 LYS CB C 29 31.548 31.548 31.434 0.114 25067 8777 1 15 . 1 1 29 29 LYS H H 29 7.723 7.723 8.571 -0.848 25067 8778 1 15 . 1 1 30 30 ALA HA H 30 4.072 4.072 3.759 0.313 25067 8779 1 15 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.275 0.272 25067 8780 1 15 . 1 1 30 30 ALA CB C 30 18.771 18.771 16.821 1.950 25067 8781 1 15 . 1 1 31 31 GLU N N 31 117.703 117.703 120.815 -3.112 25067 8782 1 15 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.095 0.083 25067 8783 1 15 . 1 1 31 31 GLU C C 31 179.251 179.251 178.290 0.961 25067 8784 1 15 . 1 1 31 31 GLU CA C 31 59.596 59.596 58.784 0.812 25067 8785 1 15 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.628 -1.029 25067 8786 1 15 . 1 1 31 31 GLU H H 31 9.034 9.034 8.316 0.718 25067 8787 1 15 . 1 1 32 32 GLU N N 32 121.084 121.084 117.548 3.536 25067 8788 1 15 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.241 -0.056 25067 8789 1 15 . 1 1 32 32 GLU C C 32 179.251 179.251 178.559 0.692 25067 8790 1 15 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.359 0.858 25067 8791 1 15 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.397 -0.066 25067 8792 1 15 . 1 1 32 32 GLU H H 32 8.046 8.046 8.105 -0.059 25067 8793 1 15 . 1 1 33 33 ALA N N 33 122.906 122.906 122.652 0.254 25067 8794 1 15 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.231 -0.141 25067 8795 1 15 . 1 1 33 33 ALA C C 33 180.244 180.244 179.410 0.834 25067 8796 1 15 . 1 1 33 33 ALA CA C 33 55.519 55.519 54.346 1.173 25067 8797 1 15 . 1 1 33 33 ALA CB C 33 17.968 17.968 17.702 0.266 25067 8798 1 15 . 1 1 33 33 ALA H H 33 8.383 8.383 8.048 0.335 25067 8799 1 15 . 1 1 34 34 LYS N N 34 119.560 119.560 118.037 1.523 25067 8800 1 15 . 1 1 34 34 LYS HA H 34 4.190 4.190 3.998 0.192 25067 8801 1 15 . 1 1 34 34 LYS C C 34 179.198 179.198 178.316 0.882 25067 8802 1 15 . 1 1 34 34 LYS CA C 34 59.481 59.481 58.956 0.524 25067 8803 1 15 . 1 1 34 34 LYS CB C 34 32.452 32.452 31.521 0.931 25067 8804 1 15 . 1 1 34 34 LYS H H 34 7.885 7.885 7.733 0.152 25067 8805 1 15 . 1 1 35 35 GLU N N 35 121.053 121.053 119.781 1.272 25067 8806 1 15 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.127 0.054 25067 8807 1 15 . 1 1 35 35 GLU C C 35 179.288 179.288 178.796 0.492 25067 8808 1 15 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.235 0.156 25067 8809 1 15 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.290 0.054 25067 8810 1 15 . 1 1 35 35 GLU H H 35 8.042 8.042 7.728 0.314 25067 8811 1 15 . 1 1 36 36 LEU N N 36 121.053 121.053 120.051 1.002 25067 8812 1 15 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.251 -0.014 25067 8813 1 15 . 1 1 36 36 LEU C C 36 177.982 177.982 179.662 -1.680 25067 8814 1 15 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.039 0.698 25067 8815 1 15 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.151 0.790 25067 8816 1 15 . 1 1 36 36 LEU H H 36 8.434 8.434 7.829 0.605 25067 8817 1 15 . 1 1 37 37 LEU N N 37 120.035 120.035 121.032 -0.997 25067 8818 1 15 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.397 0.219 25067 8819 1 15 . 1 1 37 37 LEU C C 37 178.070 178.070 178.219 -0.149 25067 8820 1 15 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.507 1.042 25067 8821 1 15 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.402 0.746 25067 8822 1 15 . 1 1 37 37 LEU H H 37 7.883 7.883 8.257 -0.374 25067 8823 1 15 . 1 1 38 38 LYS N N 38 116.604 116.604 118.825 -2.221 25067 8824 1 15 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.816 -0.020 25067 8825 1 15 . 1 1 38 38 LYS C C 38 178.246 178.246 178.526 -0.280 25067 8826 1 15 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.608 -0.094 25067 8827 1 15 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.279 0.316 25067 8828 1 15 . 1 1 38 38 LYS H H 38 7.102 7.102 7.709 -0.607 25067 8829 1 15 . 1 1 39 39 LYS N N 39 118.823 118.823 118.602 0.221 25067 8830 1 15 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.038 0.117 25067 8831 1 15 . 1 1 39 39 LYS C C 39 179.464 179.464 179.259 0.205 25067 8832 1 15 . 1 1 39 39 LYS CA C 39 59.126 59.126 58.771 0.355 25067 8833 1 15 . 1 1 39 39 LYS CB C 39 32.694 32.694 31.928 0.766 25067 8834 1 15 . 1 1 39 39 LYS H H 39 7.752 7.752 7.665 0.087 25067 8835 1 15 . 1 1 40 40 VAL N N 40 119.336 119.336 119.438 -0.102 25067 8836 1 15 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.269 0.084 25067 8837 1 15 . 1 1 40 40 VAL C C 40 178.612 178.612 177.497 1.115 25067 8838 1 15 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.356 -0.021 25067 8839 1 15 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.235 -0.083 25067 8840 1 15 . 1 1 40 40 VAL H H 40 8.925 8.925 8.012 0.913 25067 8841 1 15 . 1 1 41 41 ALA N N 41 120.709 120.709 120.836 -0.127 25067 8842 1 15 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.926 -0.031 25067 8843 1 15 . 1 1 41 41 ALA C C 41 179.163 179.163 179.976 -0.813 25067 8844 1 15 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.028 -0.003 25067 8845 1 15 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.152 0.543 25067 8846 1 15 . 1 1 41 41 ALA H H 41 8.001 8.001 7.565 0.436 25067 8847 1 15 . 1 1 42 42 GLU N N 42 117.330 117.330 118.455 -1.125 25067 8848 1 15 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.041 -0.105 25067 8849 1 15 . 1 1 42 42 GLU C C 42 179.452 179.452 179.196 0.256 25067 8850 1 15 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.097 0.514 25067 8851 1 15 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.441 0.298 25067 8852 1 15 . 1 1 42 42 GLU H H 42 8.197 8.197 8.266 -0.069 25067 8853 1 15 . 1 1 43 43 LYS N N 43 119.586 119.586 119.493 0.093 25067 8854 1 15 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.209 -0.011 25067 8855 1 15 . 1 1 43 43 LYS C C 43 179.595 179.595 179.156 0.439 25067 8856 1 15 . 1 1 43 43 LYS CA C 43 58.769 58.769 59.164 -0.395 25067 8857 1 15 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.724 -0.653 25067 8858 1 15 . 1 1 43 43 LYS H H 43 8.119 8.119 7.630 0.489 25067 8859 1 15 . 1 1 44 44 ALA N N 44 121.948 121.948 121.365 0.583 25067 8860 1 15 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.255 0.011 25067 8861 1 15 . 1 1 44 44 ALA C C 44 178.937 178.937 179.227 -0.290 25067 8862 1 15 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.883 0.107 25067 8863 1 15 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.443 -0.642 25067 8864 1 15 . 1 1 44 44 ALA H H 44 8.396 8.396 8.173 0.223 25067 8865 1 15 . 1 1 45 45 ALA N N 45 118.814 118.814 119.733 -0.919 25067 8866 1 15 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.947 0.010 25067 8867 1 15 . 1 1 45 45 ALA C C 45 178.887 178.887 179.190 -0.303 25067 8868 1 15 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.898 0.670 25067 8869 1 15 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.292 -0.265 25067 8870 1 15 . 1 1 45 45 ALA H H 45 8.519 8.519 7.747 0.772 25067 8871 1 15 . 1 1 46 46 ASP N N 46 116.930 116.930 118.057 -1.127 25067 8872 1 15 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.486 -0.087 25067 8873 1 15 . 1 1 46 46 ASP C C 46 178.020 178.020 178.712 -0.692 25067 8874 1 15 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.120 0.520 25067 8875 1 15 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.666 1.170 25067 8876 1 15 . 1 1 46 46 ASP H H 46 7.852 7.852 7.965 -0.113 25067 8877 1 15 . 1 1 47 47 LYS N N 47 119.467 119.467 120.622 -1.155 25067 8878 1 15 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.153 -0.060 25067 8879 1 15 . 1 1 47 47 LYS C C 47 178.924 178.924 179.210 -0.286 25067 8880 1 15 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.855 0.817 25067 8881 1 15 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.297 0.214 25067 8882 1 15 . 1 1 47 47 LYS H H 47 7.692 7.692 7.436 0.256 25067 8883 1 15 . 1 1 48 48 ILE N N 48 119.929 119.929 119.636 0.293 25067 8884 1 15 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.841 -0.101 25067 8885 1 15 . 1 1 48 48 ILE C C 48 179.025 179.025 178.027 0.998 25067 8886 1 15 . 1 1 48 48 ILE CA C 48 64.978 64.978 64.297 0.681 25067 8887 1 15 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.715 0.577 25067 8888 1 15 . 1 1 48 48 ILE H H 48 8.585 8.585 7.865 0.720 25067 8889 1 15 . 1 1 49 49 LYS N N 49 119.534 119.534 119.447 0.087 25067 8890 1 15 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.029 -0.012 25067 8891 1 15 . 1 1 49 49 LYS C C 49 179.025 179.025 178.159 0.866 25067 8892 1 15 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.766 0.881 25067 8893 1 15 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.196 0.405 25067 8894 1 15 . 1 1 49 49 LYS H H 49 8.353 8.353 7.657 0.696 25067 8895 1 15 . 1 1 50 50 LYS N N 50 117.423 117.423 116.658 0.765 25067 8896 1 15 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.125 0.091 25067 8897 1 15 . 1 1 50 50 LYS C C 50 178.510 178.510 177.480 1.030 25067 8898 1 15 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.201 0.296 25067 8899 1 15 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.543 0.779 25067 8900 1 15 . 1 1 50 50 LYS H H 50 7.996 7.996 7.752 0.244 25067 8901 1 15 . 1 1 51 51 GLN N N 51 115.137 115.137 116.321 -1.184 25067 8902 1 15 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.416 0.065 25067 8903 1 15 . 1 1 51 51 GLN C C 51 177.292 177.292 174.214 3.078 25067 8904 1 15 . 1 1 51 51 GLN CA C 51 56.007 56.007 56.311 -0.304 25067 8905 1 15 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.594 -1.654 25067 8906 1 15 . 1 1 51 51 GLN H H 51 8.384 8.384 7.796 0.588 25067 8907 1 15 . 1 1 52 52 GLY N N 52 109.119 109.119 107.610 1.509 25067 8908 1 15 . 1 1 52 52 GLY C C 52 174.391 174.391 173.766 0.625 25067 8909 1 15 . 1 1 52 52 GLY CA C 52 46.560 46.560 44.501 2.059 25067 8910 1 15 . 1 1 52 52 GLY H H 52 8.218 8.218 8.226 -0.008 25067 8911 1 15 . 1 1 53 53 CYS N N 53 116.935 116.935 122.465 -5.530 25067 8912 1 15 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.296 0.189 25067 8913 1 15 . 1 1 53 53 CYS C C 53 173.989 173.989 175.428 -1.439 25067 8914 1 15 . 1 1 53 53 CYS CA C 53 58.148 58.148 60.015 -1.867 25067 8915 1 15 . 1 1 53 53 CYS CB C 53 28.714 28.714 26.757 1.957 25067 8916 1 15 . 1 1 53 53 CYS H H 53 7.623 7.623 8.426 -0.803 25067 8917 1 15 . 1 1 54 54 LYS N N 54 120.659 120.659 124.783 -4.124 25067 8918 1 15 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.452 0.048 25067 8919 1 15 . 1 1 54 54 LYS C C 54 174.793 174.793 176.421 -1.628 25067 8920 1 15 . 1 1 54 54 LYS CA C 54 56.326 56.326 58.494 -2.168 25067 8921 1 15 . 1 1 54 54 LYS CB C 54 33.710 33.710 33.091 0.619 25067 8922 1 15 . 1 1 54 54 LYS H H 54 8.765 8.765 8.333 0.432 25067 8923 1 15 . 1 1 55 55 ARG N N 55 117.927 117.927 118.281 -0.354 25067 8924 1 15 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.974 0.469 25067 8925 1 15 . 1 1 55 55 ARG C C 55 174.517 174.517 174.536 -0.019 25067 8926 1 15 . 1 1 55 55 ARG CA C 55 54.589 54.589 54.952 -0.363 25067 8927 1 15 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.149 1.467 25067 8928 1 15 . 1 1 55 55 ARG H H 55 7.603 7.603 7.487 0.116 25067 8929 1 15 . 1 1 56 56 VAL N N 56 122.079 122.079 125.822 -3.743 25067 8930 1 15 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.328 0.497 25067 8931 1 15 . 1 1 56 56 VAL C C 56 173.311 173.311 174.512 -1.201 25067 8932 1 15 . 1 1 56 56 VAL CA C 56 60.285 60.285 61.578 -1.293 25067 8933 1 15 . 1 1 56 56 VAL CB C 56 34.930 34.930 33.345 1.585 25067 8934 1 15 . 1 1 56 56 VAL H H 56 8.853 8.853 8.769 0.084 25067 8935 1 15 . 1 1 57 57 LYS N N 57 125.849 125.849 128.715 -2.866 25067 8936 1 15 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.712 0.892 25067 8937 1 15 . 1 1 57 57 LYS C C 57 174.881 174.881 175.320 -0.439 25067 8938 1 15 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.464 -0.726 25067 8939 1 15 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.011 1.925 25067 8940 1 15 . 1 1 57 57 LYS H H 57 8.819 8.819 8.823 -0.004 25067 8941 1 15 . 1 1 58 58 ILE N N 58 125.213 125.213 126.679 -1.466 25067 8942 1 15 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.402 0.765 25067 8943 1 15 . 1 1 58 58 ILE C C 58 174.981 174.981 174.652 0.329 25067 8944 1 15 . 1 1 58 58 ILE CA C 58 60.596 60.596 61.143 -0.547 25067 8945 1 15 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.292 2.567 25067 8946 1 15 . 1 1 58 58 ILE H H 58 9.204 9.204 8.801 0.403 25067 8947 1 15 . 1 1 59 59 ARG N N 59 124.047 124.047 126.460 -2.413 25067 8948 1 15 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.342 0.759 25067 8949 1 15 . 1 1 59 59 ARG C C 59 175.144 175.144 175.215 -0.071 25067 8950 1 15 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.105 -0.014 25067 8951 1 15 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.627 2.408 25067 8952 1 15 . 1 1 59 59 ARG H H 59 9.467 9.467 8.892 0.575 25067 8953 1 15 . 1 1 60 60 PHE N N 60 113.223 113.223 123.034 -9.811 25067 8954 1 15 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.884 0.320 25067 8955 1 15 . 1 1 60 60 PHE C C 60 173.110 173.110 173.065 0.045 25067 8956 1 15 . 1 1 60 60 PHE CA C 60 56.931 56.931 57.107 -0.176 25067 8957 1 15 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.904 -1.524 25067 8958 1 15 . 1 1 60 60 PHE H H 60 8.451 8.451 8.750 -0.299 25067 8959 1 15 . 1 1 61 61 GLU N N 61 121.333 121.333 125.656 -4.323 25067 8960 1 15 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.259 0.385 25067 8961 1 15 . 1 1 61 61 GLU C C 61 177.147 177.147 174.904 2.243 25067 8962 1 15 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.055 -0.090 25067 8963 1 15 . 1 1 61 61 GLU CB C 61 30.698 30.698 31.111 -0.413 25067 8964 1 15 . 1 1 61 61 GLU H H 61 9.572 9.572 8.051 1.521 25067 8965 1 15 . 1 1 62 62 LYS N N 62 121.311 121.311 124.063 -2.752 25067 8966 1 15 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.423 -0.080 25067 8967 1 15 . 1 1 62 62 LYS C C 62 177.398 177.398 176.839 0.559 25067 8968 1 15 . 1 1 62 62 LYS CA C 62 58.185 58.185 54.871 3.314 25067 8969 1 15 . 1 1 62 62 LYS CB C 62 32.937 32.937 32.870 0.067 25067 8970 1 15 . 1 1 62 62 LYS H H 62 8.160 8.160 8.285 -0.125 25067 8971 1 15 . 1 1 63 63 LYS N N 63 120.742 120.742 118.277 2.465 25067 8972 1 15 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.428 -0.310 25067 8973 1 15 . 1 1 63 63 LYS C C 63 177.015 177.015 178.129 -1.114 25067 8974 1 15 . 1 1 63 63 LYS CA C 63 58.693 58.693 57.525 1.168 25067 8975 1 15 . 1 1 63 63 LYS CB C 63 31.677 31.677 32.938 -1.261 25067 8976 1 15 . 1 1 63 63 LYS H H 63 8.028 8.028 7.761 0.267 25067 8977 1 15 . 1 1 64 64 GLY C C 64 174.039 174.039 173.128 0.911 25067 8978 1 15 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.973 -0.110 25067 8979 1 15 . 1 1 65 65 LEU N N 65 119.849 119.849 115.841 4.008 25067 8980 1 15 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.633 -0.009 25067 8981 1 15 . 1 1 65 65 LEU C C 65 177.493 177.493 174.103 3.390 25067 8982 1 15 . 1 1 65 65 LEU CA C 65 54.128 54.128 54.584 -0.456 25067 8983 1 15 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.959 0.727 25067 8984 1 15 . 1 1 65 65 LEU H H 65 7.836 7.836 7.286 0.550 25067 8985 1 15 . 1 1 66 66 ASP N N 66 123.296 123.296 118.401 4.895 25067 8986 1 15 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.843 -0.171 25067 8987 1 15 . 1 1 66 66 ASP C C 66 175.471 175.471 176.411 -0.940 25067 8988 1 15 . 1 1 66 66 ASP CA C 66 52.820 52.820 52.806 0.014 25067 8989 1 15 . 1 1 66 66 ASP CB C 66 41.017 41.017 43.501 -2.484 25067 8990 1 15 . 1 1 66 66 ASP H H 66 8.226 8.226 8.366 -0.140 25067 8991 1 15 . 1 1 67 67 ASP N N 67 118.859 118.859 121.045 -2.186 25067 8992 1 15 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.320 -0.077 25067 8993 1 15 . 1 1 67 67 ASP C C 67 178.121 178.121 177.317 0.804 25067 8994 1 15 . 1 1 67 67 ASP CA C 67 58.473 58.473 56.904 1.569 25067 8995 1 15 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.009 0.058 25067 8996 1 15 . 1 1 67 67 ASP H H 67 8.529 8.529 8.760 -0.231 25067 8997 1 15 . 1 1 68 68 ASP N N 68 119.187 119.187 119.615 -0.428 25067 8998 1 15 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.388 -0.048 25067 8999 1 15 . 1 1 68 68 ASP C C 68 177.807 177.807 177.922 -0.115 25067 9000 1 15 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.318 0.163 25067 9001 1 15 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.915 0.544 25067 9002 1 15 . 1 1 68 68 ASP H H 68 8.244 8.244 8.210 0.034 25067 9003 1 15 . 1 1 69 69 ALA N N 69 122.537 122.537 121.826 0.711 25067 9004 1 15 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.151 -0.523 25067 9005 1 15 . 1 1 69 69 ALA C C 69 179.452 179.452 179.519 -0.067 25067 9006 1 15 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.792 0.224 25067 9007 1 15 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.367 0.796 25067 9008 1 15 . 1 1 69 69 ALA H H 69 8.191 8.191 7.454 0.737 25067 9009 1 15 . 1 1 70 70 ARG N N 70 115.799 115.799 119.347 -3.548 25067 9010 1 15 . 1 1 70 70 ARG HA H 70 3.723 3.723 4.077 -0.354 25067 9011 1 15 . 1 1 70 70 ARG C C 70 178.183 178.183 177.929 0.254 25067 9012 1 15 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.577 0.771 25067 9013 1 15 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.076 0.536 25067 9014 1 15 . 1 1 70 70 ARG H H 70 8.419 8.419 7.952 0.467 25067 9015 1 15 . 1 1 71 71 LYS N N 71 118.170 118.170 118.890 -0.720 25067 9016 1 15 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.987 -0.150 25067 9017 1 15 . 1 1 71 71 LYS C C 71 179.891 179.891 178.798 1.093 25067 9018 1 15 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.300 0.350 25067 9019 1 15 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.281 0.138 25067 9020 1 15 . 1 1 71 71 LYS H H 71 7.781 7.781 7.737 0.044 25067 9021 1 15 . 1 1 72 72 LYS N N 72 119.730 119.730 119.142 0.588 25067 9022 1 15 . 1 1 72 72 LYS HA H 72 3.736 3.736 3.978 -0.242 25067 9023 1 15 . 1 1 72 72 LYS C C 72 178.874 178.874 178.890 -0.016 25067 9024 1 15 . 1 1 72 72 LYS CA C 72 59.573 59.573 59.334 0.239 25067 9025 1 15 . 1 1 72 72 LYS CB C 72 32.393 32.393 32.367 0.026 25067 9026 1 15 . 1 1 72 72 LYS H H 72 7.835 7.835 7.805 0.030 25067 9027 1 15 . 1 1 73 73 ALA N N 73 123.068 123.068 120.787 2.281 25067 9028 1 15 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.633 0.122 25067 9029 1 15 . 1 1 73 73 ALA C C 73 178.246 178.246 178.691 -0.445 25067 9030 1 15 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.578 0.772 25067 9031 1 15 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.788 -0.142 25067 9032 1 15 . 1 1 73 73 ALA H H 73 8.343 8.343 7.838 0.505 25067 9033 1 15 . 1 1 74 74 LYS N N 74 117.936 117.936 119.439 -1.503 25067 9034 1 15 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.802 -0.158 25067 9035 1 15 . 1 1 74 74 LYS C C 74 177.694 177.694 178.548 -0.854 25067 9036 1 15 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.477 0.844 25067 9037 1 15 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.248 0.426 25067 9038 1 15 . 1 1 74 74 LYS H H 74 7.934 7.934 7.631 0.303 25067 9039 1 15 . 1 1 75 75 LYS N N 75 116.863 116.863 119.295 -2.432 25067 9040 1 15 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.038 -0.059 25067 9041 1 15 . 1 1 75 75 LYS C C 75 178.884 178.884 178.583 0.301 25067 9042 1 15 . 1 1 75 75 LYS CA C 75 59.409 59.409 58.629 0.780 25067 9043 1 15 . 1 1 75 75 LYS CB C 75 32.497 32.497 31.855 0.642 25067 9044 1 15 . 1 1 75 75 LYS H H 75 7.371 7.371 7.741 -0.370 25067 9045 1 15 . 1 1 76 76 TRP N N 76 121.108 121.108 121.615 -0.507 25067 9046 1 15 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.315 -0.118 25067 9047 1 15 . 1 1 76 76 TRP C C 76 177.618 177.618 178.020 -0.402 25067 9048 1 15 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.223 0.503 25067 9049 1 15 . 1 1 76 76 TRP CB C 76 29.993 29.993 28.923 1.070 25067 9050 1 15 . 1 1 76 76 TRP H H 76 8.156 8.156 7.910 0.246 25067 9051 1 15 . 1 1 77 77 ALA N N 77 120.099 120.099 120.936 -0.837 25067 9052 1 15 . 1 1 77 77 ALA HA H 77 4.099 4.099 4.039 0.060 25067 9053 1 15 . 1 1 77 77 ALA C C 77 179.125 179.125 179.841 -0.716 25067 9054 1 15 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.044 0.604 25067 9055 1 15 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.265 0.054 25067 9056 1 15 . 1 1 77 77 ALA H H 77 8.883 8.883 8.063 0.820 25067 9057 1 15 . 1 1 78 78 LEU N N 78 116.584 116.584 119.653 -3.069 25067 9058 1 15 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.888 0.243 25067 9059 1 15 . 1 1 78 78 LEU C C 78 179.828 179.828 179.232 0.596 25067 9060 1 15 . 1 1 78 78 LEU CA C 78 57.843 57.843 58.034 -0.191 25067 9061 1 15 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.796 -0.098 25067 9062 1 15 . 1 1 78 78 LEU H H 78 8.238 8.238 8.123 0.115 25067 9063 1 15 . 1 1 79 79 GLU N N 79 121.435 121.435 119.107 2.328 25067 9064 1 15 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.894 0.209 25067 9065 1 15 . 1 1 79 79 GLU C C 79 180.004 180.004 179.291 0.713 25067 9066 1 15 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.353 0.017 25067 9067 1 15 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.451 -0.329 25067 9068 1 15 . 1 1 79 79 GLU H H 79 8.296 8.296 7.814 0.482 25067 9069 1 15 . 1 1 80 80 VAL N N 80 122.863 122.863 120.003 2.860 25067 9070 1 15 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.377 -0.022 25067 9071 1 15 . 1 1 80 80 VAL C C 80 177.044 177.044 177.650 -0.606 25067 9072 1 15 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.732 -0.263 25067 9073 1 15 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.990 -0.292 25067 9074 1 15 . 1 1 80 80 VAL H H 80 8.603 8.603 7.794 0.809 25067 9075 1 15 . 1 1 81 81 ALA N N 81 122.490 122.490 121.721 0.769 25067 9076 1 15 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.839 -0.106 25067 9077 1 15 . 1 1 81 81 ALA C C 81 178.529 178.529 179.509 -0.980 25067 9078 1 15 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.509 0.136 25067 9079 1 15 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.295 0.120 25067 9080 1 15 . 1 1 81 81 ALA H H 81 7.684 7.684 7.733 -0.049 25067 9081 1 15 . 1 1 82 82 ASN N N 82 114.569 114.569 114.884 -0.315 25067 9082 1 15 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.475 -0.097 25067 9083 1 15 . 1 1 82 82 ASN C C 82 177.505 177.505 177.399 0.106 25067 9084 1 15 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.605 0.598 25067 9085 1 15 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.517 0.317 25067 9086 1 15 . 1 1 82 82 ASN H H 82 7.752 7.752 8.118 -0.366 25067 9087 1 15 . 1 1 83 83 LYS N N 83 121.384 121.384 121.601 -0.217 25067 9088 1 15 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.090 0.004 25067 9089 1 15 . 1 1 83 83 LYS C C 83 179.037 179.037 178.661 0.376 25067 9090 1 15 . 1 1 83 83 LYS CA C 83 59.075 59.075 57.990 1.085 25067 9091 1 15 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.722 0.426 25067 9092 1 15 . 1 1 83 83 LYS H H 83 8.343 8.343 7.610 0.733 25067 9093 1 15 . 1 1 84 84 ILE N N 84 120.298 120.298 119.138 1.160 25067 9094 1 15 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.702 -0.217 25067 9095 1 15 . 1 1 84 84 ILE C C 84 177.063 177.063 177.617 -0.554 25067 9096 1 15 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.198 0.990 25067 9097 1 15 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.851 0.537 25067 9098 1 15 . 1 1 84 84 ILE H H 84 8.496 8.496 8.012 0.484 25067 9099 1 15 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.881 -0.065 25067 9100 1 15 . 1 1 85 85 ALA C C 85 179.891 179.891 179.291 0.600 25067 9101 1 15 . 1 1 85 85 ALA CA C 85 55.791 55.791 54.962 0.828 25067 9102 1 15 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.009 0.038 25067 9103 1 15 . 1 1 85 85 ALA H H 85 7.768 7.768 7.628 0.140 25067 9104 1 15 . 1 1 86 86 ASN N N 86 116.155 116.155 114.231 1.924 25067 9105 1 15 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.457 0.078 25067 9106 1 15 . 1 1 86 86 ASN C C 86 178.423 178.423 176.531 1.892 25067 9107 1 15 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.605 0.501 25067 9108 1 15 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.593 0.192 25067 9109 1 15 . 1 1 86 86 ASN H H 86 8.355 8.355 7.648 0.707 25067 9110 1 15 . 1 1 87 87 GLU N N 87 120.806 120.806 117.666 3.140 25067 9111 1 15 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.201 -0.025 25067 9112 1 15 . 1 1 87 87 GLU C C 87 178.381 178.381 177.771 0.610 25067 9113 1 15 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.441 0.468 25067 9114 1 15 . 1 1 87 87 GLU CB C 87 29.652 29.652 30.078 -0.426 25067 9115 1 15 . 1 1 87 87 GLU H H 87 8.431 8.431 7.707 0.724 25067 9116 1 15 . 1 1 88 88 LEU N N 88 115.825 115.825 113.587 2.238 25067 9117 1 15 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.812 -0.456 25067 9118 1 15 . 1 1 88 88 LEU C C 88 177.442 177.442 177.013 0.429 25067 9119 1 15 . 1 1 88 88 LEU CA C 88 54.577 54.577 53.610 0.967 25067 9120 1 15 . 1 1 88 88 LEU CB C 88 43.500 43.500 41.791 1.709 25067 9121 1 15 . 1 1 88 88 LEU H H 88 7.547 7.547 7.596 -0.049 25067 9122 1 15 . 1 1 89 89 GLY N N 89 109.579 109.579 109.119 0.460 25067 9123 1 15 . 1 1 89 89 GLY C C 89 174.321 174.321 174.229 0.092 25067 9124 1 15 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.176 1.332 25067 9125 1 15 . 1 1 89 89 GLY H H 89 7.934 7.934 7.942 -0.008 25067 9126 1 15 . 1 1 90 90 ALA N N 90 120.990 120.990 121.788 -0.798 25067 9127 1 15 . 1 1 90 90 ALA HA H 90 4.649 4.649 3.786 0.863 25067 9128 1 15 . 1 1 90 90 ALA C C 90 177.053 177.053 175.286 1.767 25067 9129 1 15 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.279 -2.205 25067 9130 1 15 . 1 1 90 90 ALA CB C 90 21.819 21.819 18.228 3.591 25067 9131 1 15 . 1 1 90 90 ALA H H 90 8.017 8.017 7.447 0.570 25067 9132 1 15 . 1 1 91 91 LYS N N 91 120.615 120.615 120.379 0.236 25067 9133 1 15 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.377 0.039 25067 9134 1 15 . 1 1 91 91 LYS C C 91 175.765 175.765 175.103 0.662 25067 9135 1 15 . 1 1 91 91 LYS CA C 91 56.179 56.179 56.024 0.155 25067 9136 1 15 . 1 1 91 91 LYS CB C 91 32.742 32.742 34.304 -1.562 25067 9137 1 15 . 1 1 91 91 LYS H H 91 8.366 8.366 8.388 -0.022 25067 9138 1 15 . 1 1 92 92 GLN N N 92 119.273 119.273 116.481 2.792 25067 9139 1 15 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.559 0.602 25067 9140 1 15 . 1 1 92 92 GLN C C 92 175.136 175.136 173.327 1.809 25067 9141 1 15 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.221 -1.111 25067 9142 1 15 . 1 1 92 92 GLN CB C 92 30.681 30.681 32.862 -2.181 25067 9143 1 15 . 1 1 92 92 GLN H H 92 8.495 8.495 8.073 0.422 25067 9144 1 15 . 1 1 93 93 SER N N 93 117.003 117.003 113.800 3.203 25067 9145 1 15 . 1 1 93 93 SER HA H 93 4.781 4.781 4.912 -0.131 25067 9146 1 15 . 1 1 93 93 SER C C 93 173.735 173.735 173.346 0.389 25067 9147 1 15 . 1 1 93 93 SER CA C 93 57.819 57.819 57.280 0.539 25067 9148 1 15 . 1 1 93 93 SER CB C 93 64.648 64.648 66.228 -1.581 25067 9149 1 15 . 1 1 93 93 SER H H 93 8.441 8.441 8.311 0.130 25067 9150 1 15 . 1 1 94 94 THR HA H 94 4.781 4.781 4.565 0.216 25067 9151 1 15 . 1 1 94 94 THR CA C 94 61.111 61.111 61.105 0.006 25067 9152 1 15 . 1 1 94 94 THR CB C 94 71.032 71.032 69.491 1.541 25067 9153 1 15 . 1 1 95 95 THR N N 95 119.923 119.923 122.039 -2.116 25067 9154 1 15 . 1 1 95 95 THR HA H 95 5.098 5.098 4.493 0.605 25067 9155 1 15 . 1 1 95 95 THR CA C 95 60.438 60.438 60.651 -0.213 25067 9156 1 15 . 1 1 95 95 THR CB C 95 70.780 70.780 69.403 1.377 25067 9157 1 15 . 1 1 95 95 THR H H 95 8.762 8.762 8.583 0.179 25067 9158 1 15 . 1 1 96 96 THR HA H 96 4.367 4.367 4.528 -0.161 25067 9159 1 15 . 1 1 96 96 THR CA C 96 61.740 61.740 61.688 0.053 25067 9160 1 15 . 1 1 96 96 THR CB C 96 70.992 70.992 70.249 0.743 25067 9161 1 15 . 1 1 97 97 THR N N 97 120.315 120.315 121.183 -0.868 25067 9162 1 15 . 1 1 97 97 THR HA H 97 5.363 5.363 4.756 0.607 25067 9163 1 15 . 1 1 97 97 THR CA C 97 61.379 61.379 61.750 -0.371 25067 9164 1 15 . 1 1 97 97 THR CB C 97 71.216 71.216 69.910 1.306 25067 9165 1 15 . 1 1 97 97 THR H H 97 8.999 8.999 8.720 0.279 25067 9166 1 15 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.889 0.303 25067 9167 1 15 . 1 1 98 98 ASP C C 98 175.672 175.672 176.702 -1.030 25067 9168 1 15 . 1 1 98 98 ASP CA C 98 52.593 52.593 52.815 -0.222 25067 9169 1 15 . 1 1 98 98 ASP CB C 98 41.735 41.735 43.693 -1.958 25067 9170 1 15 . 1 1 99 99 GLY N N 99 111.919 111.919 109.807 2.112 25067 9171 1 15 . 1 1 99 99 GLY C C 99 174.049 174.049 174.447 -0.398 25067 9172 1 15 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.624 -1.598 25067 9173 1 15 . 1 1 99 99 GLY H H 99 7.817 7.817 8.707 -0.890 25067 9174 1 15 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.704 -0.150 25067 9175 1 15 . 1 1 100 100 ASP C C 100 177.518 177.518 175.666 1.852 25067 9176 1 15 . 1 1 100 100 ASP CA C 100 57.488 57.488 56.240 1.248 25067 9177 1 15 . 1 1 100 100 ASP CB C 100 41.637 41.637 42.395 -0.758 25067 9178 1 15 . 1 1 101 101 THR N N 101 112.835 112.835 115.499 -2.664 25067 9179 1 15 . 1 1 101 101 THR HA H 101 4.613 4.613 4.688 -0.075 25067 9180 1 15 . 1 1 101 101 THR C C 101 173.003 173.003 173.299 -0.296 25067 9181 1 15 . 1 1 101 101 THR CA C 101 60.857 60.857 61.913 -1.056 25067 9182 1 15 . 1 1 101 101 THR CB C 101 70.589 70.589 70.954 -0.365 25067 9183 1 15 . 1 1 101 101 THR H H 101 7.819 7.819 7.574 0.245 25067 9184 1 15 . 1 1 102 102 PHE N N 102 126.633 126.633 129.307 -2.674 25067 9185 1 15 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.512 0.379 25067 9186 1 15 . 1 1 102 102 PHE C C 102 173.286 173.286 173.703 -0.417 25067 9187 1 15 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.757 -0.584 25067 9188 1 15 . 1 1 102 102 PHE CB C 102 40.719 40.719 40.139 0.580 25067 9189 1 15 . 1 1 102 102 PHE H H 102 8.581 8.581 9.054 -0.473 25067 9190 1 15 . 1 1 103 103 GLU N N 103 125.528 125.528 129.414 -3.886 25067 9191 1 15 . 1 1 103 103 GLU HA H 103 5.237 5.237 4.624 0.613 25067 9192 1 15 . 1 1 103 103 GLU C C 103 173.851 173.851 174.322 -0.471 25067 9193 1 15 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.738 -0.678 25067 9194 1 15 . 1 1 103 103 GLU CB C 103 34.318 34.318 31.895 2.423 25067 9195 1 15 . 1 1 103 103 GLU H H 103 7.986 7.986 8.611 -0.625 25067 9196 1 15 . 1 1 104 104 VAL N N 104 124.582 124.582 127.328 -2.746 25067 9197 1 15 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.684 -0.040 25067 9198 1 15 . 1 1 104 104 VAL C C 104 173.763 173.763 173.911 -0.148 25067 9199 1 15 . 1 1 104 104 VAL CA C 104 59.963 59.963 60.486 -0.523 25067 9200 1 15 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.651 0.719 25067 9201 1 15 . 1 1 104 104 VAL H H 104 9.245 9.245 8.696 0.549 25067 9202 1 15 . 1 1 105 105 GLU N N 105 127.755 127.755 128.160 -0.405 25067 9203 1 15 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.532 0.720 25067 9204 1 15 . 1 1 105 105 GLU C C 105 174.572 174.572 174.855 -0.283 25067 9205 1 15 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.893 -0.534 25067 9206 1 15 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.726 1.092 25067 9207 1 15 . 1 1 105 105 GLU H H 105 9.040 9.040 8.209 0.831 25067 9208 1 15 . 1 1 106 106 VAL N N 106 127.452 127.452 127.207 0.245 25067 9209 1 15 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.221 0.546 25067 9210 1 15 . 1 1 106 106 VAL C C 106 174.692 174.692 174.768 -0.076 25067 9211 1 15 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.091 -0.668 25067 9212 1 15 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.619 2.523 25067 9213 1 15 . 1 1 106 106 VAL H H 106 9.315 9.315 8.861 0.454 25067 9214 1 15 . 1 1 107 107 ILE N N 107 127.006 127.006 129.842 -2.836 25067 9215 1 15 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.723 -0.106 25067 9216 1 15 . 1 1 107 107 ILE C C 107 176.187 176.187 175.179 1.008 25067 9217 1 15 . 1 1 107 107 ILE CA C 107 60.406 60.406 60.034 0.372 25067 9218 1 15 . 1 1 107 107 ILE CB C 107 38.521 38.521 37.302 1.219 25067 9219 1 15 . 1 1 107 107 ILE H H 107 8.814 8.814 8.187 0.627 25067 9220 1 15 . 1 1 108 108 LEU N N 108 128.313 128.313 129.362 -1.049 25067 9221 1 15 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.711 0.046 25067 9222 1 15 . 1 1 108 108 LEU C C 108 176.058 176.058 175.894 0.164 25067 9223 1 15 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.714 0.410 25067 9224 1 15 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.744 1.330 25067 9225 1 15 . 1 1 108 108 LEU H H 108 8.652 8.652 8.358 0.294 25067 9226 1 15 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.410 0.122 25067 9227 1 15 . 1 1 109 109 GLU C C 109 175.408 175.408 174.949 0.459 25067 9228 1 15 . 1 1 109 109 GLU CA C 109 55.361 55.361 56.035 -0.674 25067 9229 1 15 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.811 0.835 25067 9230 1 15 . 1 1 110 110 LEU N N 110 125.467 125.467 127.224 -1.757 25067 9231 1 15 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.691 -0.290 25067 9232 1 15 . 1 1 110 110 LEU C C 110 176.854 176.854 177.660 -0.806 25067 9233 1 15 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.258 0.711 25067 9234 1 15 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.139 0.376 25067 9235 1 15 . 1 1 110 110 LEU H H 110 8.402 8.402 8.286 0.116 25067 9236 1 15 . 1 1 111 111 GLU N N 111 121.575 121.575 125.023 -3.448 25067 9237 1 15 . 1 1 111 111 GLU HA H 111 4.261 4.261 3.979 0.282 25067 9238 1 15 . 1 1 111 111 GLU CA C 111 56.521 56.521 58.509 -1.988 25067 9239 1 15 . 1 1 111 111 GLU CB C 111 30.291 30.291 29.856 0.435 25067 9240 1 15 . 1 1 111 111 GLU H H 111 8.607 8.607 8.933 -0.326 25067 9241 1 16 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.576 -0.456 25067 9242 1 16 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.236 -0.075 25067 9243 1 16 . 1 1 2 2 ALA CB C 2 19.392 19.392 20.333 -0.941 25067 9244 1 16 . 1 1 4 4 LYS HA H 4 4.378 4.378 3.927 0.451 25067 9245 1 16 . 1 1 4 4 LYS C C 4 176.563 176.563 176.324 0.239 25067 9246 1 16 . 1 1 4 4 LYS CA C 4 56.384 56.384 57.795 -1.411 25067 9247 1 16 . 1 1 4 4 LYS CB C 4 33.156 33.156 32.303 0.853 25067 9248 1 16 . 1 1 5 5 GLU N N 5 122.511 122.511 117.393 5.118 25067 9249 1 16 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.272 0.105 25067 9250 1 16 . 1 1 5 5 GLU C C 5 176.099 176.099 175.702 0.397 25067 9251 1 16 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.286 0.098 25067 9252 1 16 . 1 1 5 5 GLU CB C 5 29.803 29.803 29.052 0.751 25067 9253 1 16 . 1 1 5 5 GLU H H 5 8.601 8.601 8.287 0.315 25067 9254 1 16 . 1 1 6 6 LEU N N 6 124.063 124.063 123.062 1.001 25067 9255 1 16 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.556 -0.157 25067 9256 1 16 . 1 1 6 6 LEU C C 6 175.082 175.082 175.044 0.038 25067 9257 1 16 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.442 0.283 25067 9258 1 16 . 1 1 6 6 LEU CB C 6 42.213 42.213 42.505 -0.292 25067 9259 1 16 . 1 1 6 6 LEU H H 6 8.409 8.409 7.441 0.968 25067 9260 1 16 . 1 1 7 7 ARG N N 7 122.244 122.244 123.651 -1.407 25067 9261 1 16 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.421 0.024 25067 9262 1 16 . 1 1 7 7 ARG C C 7 174.768 174.768 175.178 -0.410 25067 9263 1 16 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.259 -0.569 25067 9264 1 16 . 1 1 7 7 ARG CB C 7 32.090 32.090 31.064 1.026 25067 9265 1 16 . 1 1 7 7 ARG H H 7 8.016 8.016 8.487 -0.471 25067 9266 1 16 . 1 1 8 8 VAL N N 8 123.767 123.767 125.002 -1.235 25067 9267 1 16 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.411 -0.119 25067 9268 1 16 . 1 1 8 8 VAL C C 8 173.562 173.562 174.615 -1.053 25067 9269 1 16 . 1 1 8 8 VAL CA C 8 60.842 60.842 60.922 -0.081 25067 9270 1 16 . 1 1 8 8 VAL CB C 8 34.184 34.184 33.023 1.161 25067 9271 1 16 . 1 1 8 8 VAL H H 8 8.659 8.659 7.876 0.783 25067 9272 1 16 . 1 1 9 9 GLU N N 9 127.779 127.779 127.510 0.269 25067 9273 1 16 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.599 0.291 25067 9274 1 16 . 1 1 9 9 GLU C C 9 175.446 175.446 175.136 0.310 25067 9275 1 16 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.940 0.543 25067 9276 1 16 . 1 1 9 9 GLU CB C 9 30.750 30.750 31.049 -0.299 25067 9277 1 16 . 1 1 9 9 GLU H H 9 8.513 8.513 8.743 -0.230 25067 9278 1 16 . 1 1 10 10 ILE N N 10 127.770 127.770 126.028 1.742 25067 9279 1 16 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.474 0.426 25067 9280 1 16 . 1 1 10 10 ILE C C 10 174.981 174.981 174.955 0.026 25067 9281 1 16 . 1 1 10 10 ILE CA C 10 58.424 58.424 58.768 -0.344 25067 9282 1 16 . 1 1 10 10 ILE CB C 10 38.645 38.645 36.882 1.763 25067 9283 1 16 . 1 1 10 10 ILE H H 10 9.199 9.199 7.727 1.472 25067 9284 1 16 . 1 1 11 11 LYS N N 11 125.866 125.866 129.108 -3.242 25067 9285 1 16 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.800 0.638 25067 9286 1 16 . 1 1 11 11 LYS C C 11 175.835 175.835 174.927 0.908 25067 9287 1 16 . 1 1 11 11 LYS CA C 11 54.817 54.817 53.748 1.069 25067 9288 1 16 . 1 1 11 11 LYS CB C 11 35.060 35.060 34.978 0.082 25067 9289 1 16 . 1 1 11 11 LYS H H 11 9.257 9.257 8.633 0.624 25067 9290 1 16 . 1 1 12 12 ILE N N 12 121.799 121.799 125.935 -4.136 25067 9291 1 16 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.344 0.955 25067 9292 1 16 . 1 1 12 12 ILE C C 12 175.132 175.132 175.660 -0.528 25067 9293 1 16 . 1 1 12 12 ILE CA C 12 59.134 59.134 59.419 -0.284 25067 9294 1 16 . 1 1 12 12 ILE CB C 12 39.666 39.666 38.200 1.466 25067 9295 1 16 . 1 1 12 12 ILE H H 12 9.075 9.075 8.430 0.645 25067 9296 1 16 . 1 1 13 13 ASP N N 13 129.263 129.263 128.355 0.908 25067 9297 1 16 . 1 1 13 13 ASP HA H 13 5.209 5.209 5.291 -0.082 25067 9298 1 16 . 1 1 13 13 ASP C C 13 175.898 175.898 175.000 0.898 25067 9299 1 16 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.900 -1.169 25067 9300 1 16 . 1 1 13 13 ASP CB C 13 43.750 43.750 41.931 1.819 25067 9301 1 16 . 1 1 13 13 ASP H H 13 9.415 9.415 8.530 0.885 25067 9302 1 16 . 1 1 14 14 CYS N N 14 122.767 122.767 123.730 -0.963 25067 9303 1 16 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.817 0.115 25067 9304 1 16 . 1 1 14 14 CYS C C 14 174.228 174.228 176.140 -1.912 25067 9305 1 16 . 1 1 14 14 CYS CA C 14 58.269 58.269 58.830 -0.561 25067 9306 1 16 . 1 1 14 14 CYS CB C 14 28.447 28.447 29.627 -1.179 25067 9307 1 16 . 1 1 14 14 CYS H H 14 9.274 9.274 8.985 0.289 25067 9308 1 16 . 1 1 15 15 GLY N N 15 110.606 110.606 106.260 4.346 25067 9309 1 16 . 1 1 15 15 GLY C C 15 173.986 173.986 174.340 -0.354 25067 9310 1 16 . 1 1 15 15 GLY CA C 15 45.892 45.892 44.926 0.966 25067 9311 1 16 . 1 1 15 15 GLY H H 15 8.919 8.919 8.147 0.772 25067 9312 1 16 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.680 0.116 25067 9313 1 16 . 1 1 16 16 ASN C C 16 175.157 175.157 174.041 1.116 25067 9314 1 16 . 1 1 16 16 ASN CA C 16 53.181 53.181 53.533 -0.352 25067 9315 1 16 . 1 1 16 16 ASN CB C 16 38.955 38.955 37.168 1.787 25067 9316 1 16 . 1 1 17 17 ASP N N 17 118.767 118.767 118.818 -0.051 25067 9317 1 16 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.752 -0.163 25067 9318 1 16 . 1 1 17 17 ASP C C 17 175.493 175.493 175.899 -0.406 25067 9319 1 16 . 1 1 17 17 ASP CA C 17 54.533 54.533 53.650 0.883 25067 9320 1 16 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.457 -0.465 25067 9321 1 16 . 1 1 17 17 ASP H H 17 8.409 8.409 8.063 0.346 25067 9322 1 16 . 1 1 18 18 ASP N N 18 119.912 119.912 119.350 0.562 25067 9323 1 16 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.260 0.346 25067 9324 1 16 . 1 1 18 18 ASP C C 18 175.870 175.870 176.214 -0.344 25067 9325 1 16 . 1 1 18 18 ASP CA C 18 54.242 54.242 56.327 -2.085 25067 9326 1 16 . 1 1 18 18 ASP CB C 18 41.116 41.116 40.490 0.626 25067 9327 1 16 . 1 1 18 18 ASP H H 18 8.291 8.291 8.417 -0.126 25067 9328 1 16 . 1 1 19 19 LYS N N 19 120.828 120.828 119.839 0.989 25067 9329 1 16 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.103 0.336 25067 9330 1 16 . 1 1 19 19 LYS C C 19 176.121 176.121 176.231 -0.110 25067 9331 1 16 . 1 1 19 19 LYS CA C 19 55.646 55.646 57.376 -1.730 25067 9332 1 16 . 1 1 19 19 LYS CB C 19 33.015 33.015 32.884 0.131 25067 9333 1 16 . 1 1 19 19 LYS H H 19 8.140 8.140 7.946 0.194 25067 9334 1 16 . 1 1 20 20 GLU N N 20 123.292 123.292 118.327 4.965 25067 9335 1 16 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.275 0.265 25067 9336 1 16 . 1 1 20 20 GLU C C 20 176.413 176.413 175.461 0.952 25067 9337 1 16 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.214 0.304 25067 9338 1 16 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.916 0.626 25067 9339 1 16 . 1 1 20 20 GLU H H 20 8.645 8.645 7.750 0.895 25067 9340 1 16 . 1 1 21 21 THR N N 21 119.747 119.747 115.938 3.809 25067 9341 1 16 . 1 1 21 21 THR HA H 21 4.517 4.517 4.617 -0.100 25067 9342 1 16 . 1 1 21 21 THR C C 21 173.148 173.148 173.444 -0.296 25067 9343 1 16 . 1 1 21 21 THR CA C 21 61.989 61.989 61.559 0.430 25067 9344 1 16 . 1 1 21 21 THR CB C 21 70.485 70.485 71.279 -0.794 25067 9345 1 16 . 1 1 21 21 THR H H 21 8.589 8.589 8.216 0.373 25067 9346 1 16 . 1 1 22 22 THR N N 22 119.539 119.539 121.214 -1.675 25067 9347 1 16 . 1 1 22 22 THR HA H 22 5.342 5.342 5.121 0.221 25067 9348 1 16 . 1 1 22 22 THR C C 22 173.148 173.148 173.839 -0.691 25067 9349 1 16 . 1 1 22 22 THR CA C 22 60.977 60.977 61.053 -0.076 25067 9350 1 16 . 1 1 22 22 THR CB C 22 70.490 70.490 69.491 0.999 25067 9351 1 16 . 1 1 22 22 THR H H 22 8.191 8.191 8.378 -0.187 25067 9352 1 16 . 1 1 23 23 TYR N N 23 123.279 123.279 125.229 -1.950 25067 9353 1 16 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.831 -0.177 25067 9354 1 16 . 1 1 23 23 TYR C C 23 173.400 173.400 174.392 -0.992 25067 9355 1 16 . 1 1 23 23 TYR CA C 23 56.982 56.982 55.653 1.329 25067 9356 1 16 . 1 1 23 23 TYR CB C 23 42.318 42.318 39.919 2.399 25067 9357 1 16 . 1 1 23 23 TYR H H 23 9.268 9.268 7.688 1.580 25067 9358 1 16 . 1 1 24 24 ASP N N 24 121.837 121.837 124.010 -2.173 25067 9359 1 16 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.145 -0.301 25067 9360 1 16 . 1 1 24 24 ASP C C 24 173.400 173.400 175.724 -2.324 25067 9361 1 16 . 1 1 24 24 ASP CA C 24 53.469 53.469 54.229 -0.760 25067 9362 1 16 . 1 1 24 24 ASP CB C 24 41.941 41.941 42.453 -0.511 25067 9363 1 16 . 1 1 24 24 ASP H H 24 8.484 8.484 8.409 0.075 25067 9364 1 16 . 1 1 25 25 LEU N N 25 126.268 126.268 117.504 8.764 25067 9365 1 16 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.778 -0.678 25067 9366 1 16 . 1 1 25 25 LEU C C 25 174.677 174.677 173.652 1.025 25067 9367 1 16 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.855 -1.122 25067 9368 1 16 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.496 -1.870 25067 9369 1 16 . 1 1 25 25 LEU H H 25 8.619 8.619 7.515 1.104 25067 9370 1 16 . 1 1 26 26 TYR N N 26 123.695 123.695 116.582 7.113 25067 9371 1 16 . 1 1 26 26 TYR HA H 26 4.635 4.635 5.028 -0.393 25067 9372 1 16 . 1 1 26 26 TYR C C 26 176.833 176.833 175.160 1.673 25067 9373 1 16 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.265 0.017 25067 9374 1 16 . 1 1 26 26 TYR CB C 26 38.143 38.143 42.520 -4.377 25067 9375 1 16 . 1 1 26 26 TYR H H 26 8.465 8.465 8.161 0.304 25067 9376 1 16 . 1 1 27 27 PHE N N 27 119.951 119.951 120.498 -0.547 25067 9377 1 16 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.787 -0.001 25067 9378 1 16 . 1 1 27 27 PHE C C 27 176.205 176.205 176.369 -0.164 25067 9379 1 16 . 1 1 27 27 PHE CA C 27 60.136 60.136 55.797 4.338 25067 9380 1 16 . 1 1 27 27 PHE CB C 27 38.455 38.455 41.247 -2.792 25067 9381 1 16 . 1 1 27 27 PHE H H 27 7.991 7.991 8.241 -0.250 25067 9382 1 16 . 1 1 28 28 SER N N 28 114.987 114.987 118.428 -3.441 25067 9383 1 16 . 1 1 28 28 SER HA H 28 4.455 4.455 4.524 -0.069 25067 9384 1 16 . 1 1 28 28 SER C C 28 174.517 174.517 174.536 -0.019 25067 9385 1 16 . 1 1 28 28 SER CA C 28 59.489 59.489 58.242 1.246 25067 9386 1 16 . 1 1 28 28 SER CB C 28 62.828 62.828 63.838 -1.010 25067 9387 1 16 . 1 1 28 28 SER H H 28 8.508 8.508 8.602 -0.094 25067 9388 1 16 . 1 1 29 29 LYS N N 29 123.721 123.721 117.077 6.644 25067 9389 1 16 . 1 1 29 29 LYS HA H 29 4.653 4.653 3.866 0.787 25067 9390 1 16 . 1 1 29 29 LYS C C 29 175.954 175.954 174.904 1.050 25067 9391 1 16 . 1 1 29 29 LYS CA C 29 54.695 54.695 57.175 -2.480 25067 9392 1 16 . 1 1 29 29 LYS CB C 29 31.548 31.548 29.066 2.482 25067 9393 1 16 . 1 1 29 29 LYS H H 29 7.723 7.723 8.037 -0.314 25067 9394 1 16 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.635 -0.563 25067 9395 1 16 . 1 1 30 30 ALA CA C 30 55.547 55.547 52.068 3.479 25067 9396 1 16 . 1 1 30 30 ALA CB C 30 18.771 18.771 19.908 -1.137 25067 9397 1 16 . 1 1 31 31 GLU N N 31 117.703 117.703 119.059 -1.356 25067 9398 1 16 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.112 0.066 25067 9399 1 16 . 1 1 31 31 GLU C C 31 179.251 179.251 178.504 0.747 25067 9400 1 16 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.271 0.325 25067 9401 1 16 . 1 1 31 31 GLU CB C 31 28.599 28.599 28.833 -0.234 25067 9402 1 16 . 1 1 31 31 GLU H H 31 9.034 9.034 8.677 0.357 25067 9403 1 16 . 1 1 32 32 GLU N N 32 121.084 121.084 119.118 1.966 25067 9404 1 16 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.175 0.010 25067 9405 1 16 . 1 1 32 32 GLU C C 32 179.251 179.251 178.194 1.057 25067 9406 1 16 . 1 1 32 32 GLU CA C 32 59.217 59.217 59.144 0.073 25067 9407 1 16 . 1 1 32 32 GLU CB C 32 29.331 29.331 28.643 0.688 25067 9408 1 16 . 1 1 32 32 GLU H H 32 8.046 8.046 8.728 -0.682 25067 9409 1 16 . 1 1 33 33 ALA N N 33 122.906 122.906 123.228 -0.322 25067 9410 1 16 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.879 0.211 25067 9411 1 16 . 1 1 33 33 ALA C C 33 180.244 180.244 179.532 0.712 25067 9412 1 16 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.255 0.264 25067 9413 1 16 . 1 1 33 33 ALA CB C 33 17.968 17.968 17.944 0.024 25067 9414 1 16 . 1 1 33 33 ALA H H 33 8.383 8.383 7.810 0.573 25067 9415 1 16 . 1 1 34 34 LYS N N 34 119.560 119.560 118.061 1.499 25067 9416 1 16 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.090 0.100 25067 9417 1 16 . 1 1 34 34 LYS C C 34 179.198 179.198 179.184 0.014 25067 9418 1 16 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.520 -0.039 25067 9419 1 16 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.110 0.342 25067 9420 1 16 . 1 1 34 34 LYS H H 34 7.885 7.885 7.630 0.255 25067 9421 1 16 . 1 1 35 35 GLU N N 35 121.053 121.053 121.025 0.028 25067 9422 1 16 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.189 -0.008 25067 9423 1 16 . 1 1 35 35 GLU C C 35 179.288 179.288 178.934 0.354 25067 9424 1 16 . 1 1 35 35 GLU CA C 35 59.391 59.391 58.877 0.514 25067 9425 1 16 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.260 0.084 25067 9426 1 16 . 1 1 35 35 GLU H H 35 8.042 8.042 7.645 0.397 25067 9427 1 16 . 1 1 36 36 LEU N N 36 121.053 121.053 120.354 0.699 25067 9428 1 16 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.331 -0.094 25067 9429 1 16 . 1 1 36 36 LEU C C 36 177.982 177.982 179.413 -1.431 25067 9430 1 16 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.439 0.298 25067 9431 1 16 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.183 0.758 25067 9432 1 16 . 1 1 36 36 LEU H H 36 8.434 8.434 8.351 0.083 25067 9433 1 16 . 1 1 37 37 LEU N N 37 120.035 120.035 121.386 -1.351 25067 9434 1 16 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.753 -0.137 25067 9435 1 16 . 1 1 37 37 LEU C C 37 178.070 178.070 178.364 -0.294 25067 9436 1 16 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.787 0.762 25067 9437 1 16 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.658 0.490 25067 9438 1 16 . 1 1 37 37 LEU H H 37 7.883 7.883 8.359 -0.476 25067 9439 1 16 . 1 1 38 38 LYS N N 38 116.604 116.604 118.727 -2.123 25067 9440 1 16 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.873 -0.077 25067 9441 1 16 . 1 1 38 38 LYS C C 38 178.246 178.246 178.973 -0.727 25067 9442 1 16 . 1 1 38 38 LYS CA C 38 59.515 59.515 60.048 -0.533 25067 9443 1 16 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.193 0.402 25067 9444 1 16 . 1 1 38 38 LYS H H 38 7.102 7.102 7.768 -0.666 25067 9445 1 16 . 1 1 39 39 LYS N N 39 118.823 118.823 119.729 -0.906 25067 9446 1 16 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.191 -0.036 25067 9447 1 16 . 1 1 39 39 LYS C C 39 179.464 179.464 179.332 0.132 25067 9448 1 16 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.461 -0.335 25067 9449 1 16 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.484 0.210 25067 9450 1 16 . 1 1 39 39 LYS H H 39 7.752 7.752 7.661 0.091 25067 9451 1 16 . 1 1 40 40 VAL N N 40 119.336 119.336 119.762 -0.426 25067 9452 1 16 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.963 -0.610 25067 9453 1 16 . 1 1 40 40 VAL C C 40 178.612 178.612 178.081 0.531 25067 9454 1 16 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.557 -0.221 25067 9455 1 16 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.723 -0.571 25067 9456 1 16 . 1 1 40 40 VAL H H 40 8.925 8.925 8.312 0.613 25067 9457 1 16 . 1 1 41 41 ALA N N 41 120.709 120.709 121.807 -1.098 25067 9458 1 16 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.995 -0.100 25067 9459 1 16 . 1 1 41 41 ALA C C 41 179.163 179.163 179.834 -0.671 25067 9460 1 16 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.077 -0.052 25067 9461 1 16 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.234 0.461 25067 9462 1 16 . 1 1 41 41 ALA H H 41 8.001 8.001 7.922 0.079 25067 9463 1 16 . 1 1 42 42 GLU N N 42 117.330 117.330 118.616 -1.286 25067 9464 1 16 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.046 -0.110 25067 9465 1 16 . 1 1 42 42 GLU C C 42 179.452 179.452 179.167 0.285 25067 9466 1 16 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.290 0.321 25067 9467 1 16 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.699 0.040 25067 9468 1 16 . 1 1 42 42 GLU H H 42 8.197 8.197 8.001 0.196 25067 9469 1 16 . 1 1 43 43 LYS N N 43 119.586 119.586 118.599 0.987 25067 9470 1 16 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.505 -0.307 25067 9471 1 16 . 1 1 43 43 LYS C C 43 179.595 179.595 179.030 0.565 25067 9472 1 16 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.298 1.470 25067 9473 1 16 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.873 0.198 25067 9474 1 16 . 1 1 43 43 LYS H H 43 8.119 8.119 8.129 -0.010 25067 9475 1 16 . 1 1 44 44 ALA N N 44 121.948 121.948 120.892 1.056 25067 9476 1 16 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.227 0.039 25067 9477 1 16 . 1 1 44 44 ALA C C 44 178.937 178.937 178.785 0.152 25067 9478 1 16 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.740 0.250 25067 9479 1 16 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.265 -0.464 25067 9480 1 16 . 1 1 44 44 ALA H H 44 8.396 8.396 8.225 0.171 25067 9481 1 16 . 1 1 45 45 ALA N N 45 118.814 118.814 121.019 -2.205 25067 9482 1 16 . 1 1 45 45 ALA HA H 45 3.957 3.957 4.016 -0.059 25067 9483 1 16 . 1 1 45 45 ALA C C 45 178.887 178.887 179.519 -0.632 25067 9484 1 16 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.896 0.672 25067 9485 1 16 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.132 -0.105 25067 9486 1 16 . 1 1 45 45 ALA H H 45 8.519 8.519 7.668 0.851 25067 9487 1 16 . 1 1 46 46 ASP N N 46 116.930 116.930 118.987 -2.057 25067 9488 1 16 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.357 0.042 25067 9489 1 16 . 1 1 46 46 ASP C C 46 178.020 178.020 178.515 -0.495 25067 9490 1 16 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.721 -0.081 25067 9491 1 16 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.538 1.298 25067 9492 1 16 . 1 1 46 46 ASP H H 46 7.852 7.852 8.070 -0.218 25067 9493 1 16 . 1 1 47 47 LYS N N 47 119.467 119.467 118.323 1.144 25067 9494 1 16 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.165 -0.072 25067 9495 1 16 . 1 1 47 47 LYS C C 47 178.924 178.924 178.472 0.452 25067 9496 1 16 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.394 1.278 25067 9497 1 16 . 1 1 47 47 LYS CB C 47 32.511 32.511 31.924 0.587 25067 9498 1 16 . 1 1 47 47 LYS H H 47 7.692 7.692 7.360 0.332 25067 9499 1 16 . 1 1 48 48 ILE N N 48 119.929 119.929 117.890 2.039 25067 9500 1 16 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.933 -0.193 25067 9501 1 16 . 1 1 48 48 ILE C C 48 179.025 179.025 177.387 1.638 25067 9502 1 16 . 1 1 48 48 ILE CA C 48 64.978 64.978 63.287 1.691 25067 9503 1 16 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.234 1.058 25067 9504 1 16 . 1 1 48 48 ILE H H 48 8.585 8.585 7.767 0.818 25067 9505 1 16 . 1 1 49 49 LYS N N 49 119.534 119.534 118.705 0.829 25067 9506 1 16 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.133 -0.116 25067 9507 1 16 . 1 1 49 49 LYS C C 49 179.025 179.025 178.528 0.497 25067 9508 1 16 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.387 1.260 25067 9509 1 16 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.733 -0.132 25067 9510 1 16 . 1 1 49 49 LYS H H 49 8.353 8.353 7.882 0.471 25067 9511 1 16 . 1 1 50 50 LYS N N 50 117.423 117.423 116.765 0.658 25067 9512 1 16 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.090 0.126 25067 9513 1 16 . 1 1 50 50 LYS C C 50 178.510 178.510 177.880 0.630 25067 9514 1 16 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.389 0.108 25067 9515 1 16 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.510 0.812 25067 9516 1 16 . 1 1 50 50 LYS H H 50 7.996 7.996 7.830 0.166 25067 9517 1 16 . 1 1 51 51 GLN N N 51 115.137 115.137 115.095 0.042 25067 9518 1 16 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.228 0.253 25067 9519 1 16 . 1 1 51 51 GLN C C 51 177.292 177.292 173.984 3.308 25067 9520 1 16 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.828 0.179 25067 9521 1 16 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.817 -1.877 25067 9522 1 16 . 1 1 51 51 GLN H H 51 8.384 8.384 7.539 0.845 25067 9523 1 16 . 1 1 52 52 GLY N N 52 109.119 109.119 107.112 2.007 25067 9524 1 16 . 1 1 52 52 GLY C C 52 174.391 174.391 173.740 0.651 25067 9525 1 16 . 1 1 52 52 GLY CA C 52 46.560 46.560 44.904 1.656 25067 9526 1 16 . 1 1 52 52 GLY H H 52 8.218 8.218 7.542 0.676 25067 9527 1 16 . 1 1 53 53 CYS N N 53 116.935 116.935 125.712 -8.777 25067 9528 1 16 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.413 0.072 25067 9529 1 16 . 1 1 53 53 CYS C C 53 173.989 173.989 175.224 -1.235 25067 9530 1 16 . 1 1 53 53 CYS CA C 53 58.148 58.148 57.583 0.565 25067 9531 1 16 . 1 1 53 53 CYS CB C 53 28.714 28.714 26.241 2.473 25067 9532 1 16 . 1 1 53 53 CYS H H 53 7.623 7.623 9.017 -1.394 25067 9533 1 16 . 1 1 54 54 LYS N N 54 120.659 120.659 125.340 -4.681 25067 9534 1 16 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.553 -0.053 25067 9535 1 16 . 1 1 54 54 LYS C C 54 174.793 174.793 176.576 -1.783 25067 9536 1 16 . 1 1 54 54 LYS CA C 54 56.326 56.326 57.299 -0.973 25067 9537 1 16 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.541 1.169 25067 9538 1 16 . 1 1 54 54 LYS H H 54 8.765 8.765 7.996 0.769 25067 9539 1 16 . 1 1 55 55 ARG N N 55 117.927 117.927 119.050 -1.123 25067 9540 1 16 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.720 0.723 25067 9541 1 16 . 1 1 55 55 ARG C C 55 174.517 174.517 173.146 1.371 25067 9542 1 16 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.940 -1.351 25067 9543 1 16 . 1 1 55 55 ARG CB C 55 33.616 33.616 33.645 -0.029 25067 9544 1 16 . 1 1 55 55 ARG H H 55 7.603 7.603 7.821 -0.218 25067 9545 1 16 . 1 1 56 56 VAL N N 56 122.079 122.079 127.396 -5.317 25067 9546 1 16 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.332 0.493 25067 9547 1 16 . 1 1 56 56 VAL C C 56 173.311 173.311 174.641 -1.330 25067 9548 1 16 . 1 1 56 56 VAL CA C 56 60.285 60.285 61.771 -1.486 25067 9549 1 16 . 1 1 56 56 VAL CB C 56 34.930 34.930 33.117 1.813 25067 9550 1 16 . 1 1 56 56 VAL H H 56 8.853 8.853 8.942 -0.089 25067 9551 1 16 . 1 1 57 57 LYS N N 57 125.849 125.849 128.369 -2.520 25067 9552 1 16 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.596 1.008 25067 9553 1 16 . 1 1 57 57 LYS C C 57 174.881 174.881 175.265 -0.384 25067 9554 1 16 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.573 -0.835 25067 9555 1 16 . 1 1 57 57 LYS CB C 57 35.935 35.935 33.955 1.980 25067 9556 1 16 . 1 1 57 57 LYS H H 57 8.819 8.819 8.829 -0.010 25067 9557 1 16 . 1 1 58 58 ILE N N 58 125.213 125.213 126.226 -1.013 25067 9558 1 16 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.408 0.759 25067 9559 1 16 . 1 1 58 58 ILE C C 58 174.981 174.981 174.687 0.294 25067 9560 1 16 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.917 -0.321 25067 9561 1 16 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.583 2.276 25067 9562 1 16 . 1 1 58 58 ILE H H 58 9.204 9.204 8.655 0.549 25067 9563 1 16 . 1 1 59 59 ARG N N 59 124.047 124.047 127.377 -3.330 25067 9564 1 16 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.818 0.283 25067 9565 1 16 . 1 1 59 59 ARG C C 59 175.144 175.144 175.021 0.123 25067 9566 1 16 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.407 -0.316 25067 9567 1 16 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.299 2.736 25067 9568 1 16 . 1 1 59 59 ARG H H 59 9.467 9.467 8.462 1.005 25067 9569 1 16 . 1 1 60 60 PHE N N 60 113.223 113.223 124.146 -10.923 25067 9570 1 16 . 1 1 60 60 PHE HA H 60 5.204 5.204 4.956 0.248 25067 9571 1 16 . 1 1 60 60 PHE C C 60 173.110 173.110 173.427 -0.317 25067 9572 1 16 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.113 0.818 25067 9573 1 16 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.722 -1.342 25067 9574 1 16 . 1 1 60 60 PHE H H 60 8.451 8.451 8.881 -0.430 25067 9575 1 16 . 1 1 61 61 GLU N N 61 121.333 121.333 123.352 -2.019 25067 9576 1 16 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.322 0.322 25067 9577 1 16 . 1 1 61 61 GLU C C 61 177.147 177.147 175.273 1.874 25067 9578 1 16 . 1 1 61 61 GLU CA C 61 55.965 55.965 55.962 0.002 25067 9579 1 16 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.665 0.033 25067 9580 1 16 . 1 1 61 61 GLU H H 61 9.572 9.572 7.896 1.676 25067 9581 1 16 . 1 1 62 62 LYS N N 62 121.311 121.311 120.807 0.504 25067 9582 1 16 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.481 -0.138 25067 9583 1 16 . 1 1 62 62 LYS C C 62 177.398 177.398 176.828 0.570 25067 9584 1 16 . 1 1 62 62 LYS CA C 62 58.185 58.185 53.244 4.941 25067 9585 1 16 . 1 1 62 62 LYS CB C 62 32.937 32.937 34.749 -1.812 25067 9586 1 16 . 1 1 62 62 LYS H H 62 8.160 8.160 8.163 -0.003 25067 9587 1 16 . 1 1 63 63 LYS N N 63 120.742 120.742 119.214 1.528 25067 9588 1 16 . 1 1 63 63 LYS HA H 63 4.118 4.118 3.945 0.173 25067 9589 1 16 . 1 1 63 63 LYS C C 63 177.015 177.015 176.933 0.082 25067 9590 1 16 . 1 1 63 63 LYS CA C 63 58.693 58.693 58.205 0.488 25067 9591 1 16 . 1 1 63 63 LYS CB C 63 31.677 31.677 31.073 0.604 25067 9592 1 16 . 1 1 63 63 LYS H H 63 8.028 8.028 8.907 -0.879 25067 9593 1 16 . 1 1 64 64 GLY C C 64 174.039 174.039 174.532 -0.493 25067 9594 1 16 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.497 -0.634 25067 9595 1 16 . 1 1 65 65 LEU N N 65 119.849 119.849 117.337 2.512 25067 9596 1 16 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.782 -0.158 25067 9597 1 16 . 1 1 65 65 LEU C C 65 177.493 177.493 176.196 1.297 25067 9598 1 16 . 1 1 65 65 LEU CA C 65 54.128 54.128 52.403 1.725 25067 9599 1 16 . 1 1 65 65 LEU CB C 65 43.686 43.686 43.097 0.589 25067 9600 1 16 . 1 1 65 65 LEU H H 65 7.836 7.836 7.320 0.516 25067 9601 1 16 . 1 1 66 66 ASP N N 66 123.296 123.296 118.809 4.487 25067 9602 1 16 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.555 0.117 25067 9603 1 16 . 1 1 66 66 ASP C C 66 175.471 175.471 176.953 -1.482 25067 9604 1 16 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.339 -1.518 25067 9605 1 16 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.691 -1.674 25067 9606 1 16 . 1 1 66 66 ASP H H 66 8.226 8.226 8.334 -0.107 25067 9607 1 16 . 1 1 67 67 ASP N N 67 118.859 118.859 121.163 -2.304 25067 9608 1 16 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.388 -0.145 25067 9609 1 16 . 1 1 67 67 ASP C C 67 178.121 178.121 177.681 0.440 25067 9610 1 16 . 1 1 67 67 ASP CA C 67 58.473 58.473 56.822 1.651 25067 9611 1 16 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.117 -0.050 25067 9612 1 16 . 1 1 67 67 ASP H H 67 8.529 8.529 8.696 -0.167 25067 9613 1 16 . 1 1 68 68 ASP N N 68 119.187 119.187 119.644 -0.457 25067 9614 1 16 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.496 -0.156 25067 9615 1 16 . 1 1 68 68 ASP C C 68 177.807 177.807 177.751 0.056 25067 9616 1 16 . 1 1 68 68 ASP CA C 68 57.481 57.481 56.910 0.571 25067 9617 1 16 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.927 0.532 25067 9618 1 16 . 1 1 68 68 ASP H H 68 8.244 8.244 8.357 -0.113 25067 9619 1 16 . 1 1 69 69 ALA N N 69 122.537 122.537 122.029 0.508 25067 9620 1 16 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.035 -0.407 25067 9621 1 16 . 1 1 69 69 ALA C C 69 179.452 179.452 179.344 0.108 25067 9622 1 16 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.804 0.211 25067 9623 1 16 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.506 0.657 25067 9624 1 16 . 1 1 69 69 ALA H H 69 8.191 8.191 7.930 0.261 25067 9625 1 16 . 1 1 70 70 ARG N N 70 115.799 115.799 118.659 -2.860 25067 9626 1 16 . 1 1 70 70 ARG HA H 70 3.723 3.723 4.000 -0.277 25067 9627 1 16 . 1 1 70 70 ARG C C 70 178.183 178.183 178.246 -0.063 25067 9628 1 16 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.578 0.770 25067 9629 1 16 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.119 0.493 25067 9630 1 16 . 1 1 70 70 ARG H H 70 8.419 8.419 8.080 0.339 25067 9631 1 16 . 1 1 71 71 LYS N N 71 118.170 118.170 119.572 -1.402 25067 9632 1 16 . 1 1 71 71 LYS HA H 71 3.837 3.837 4.108 -0.271 25067 9633 1 16 . 1 1 71 71 LYS C C 71 179.891 179.891 178.743 1.148 25067 9634 1 16 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.422 0.228 25067 9635 1 16 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.317 0.102 25067 9636 1 16 . 1 1 71 71 LYS H H 71 7.781 7.781 7.469 0.312 25067 9637 1 16 . 1 1 72 72 LYS N N 72 119.730 119.730 118.259 1.471 25067 9638 1 16 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.072 -0.336 25067 9639 1 16 . 1 1 72 72 LYS C C 72 178.874 178.874 179.117 -0.243 25067 9640 1 16 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.630 0.943 25067 9641 1 16 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.911 0.482 25067 9642 1 16 . 1 1 72 72 LYS H H 72 7.835 7.835 8.127 -0.292 25067 9643 1 16 . 1 1 73 73 ALA N N 73 123.068 123.068 122.081 0.987 25067 9644 1 16 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.861 -0.106 25067 9645 1 16 . 1 1 73 73 ALA C C 73 178.246 178.246 179.079 -0.833 25067 9646 1 16 . 1 1 73 73 ALA CA C 73 55.350 55.350 55.162 0.188 25067 9647 1 16 . 1 1 73 73 ALA CB C 73 17.646 17.646 18.067 -0.421 25067 9648 1 16 . 1 1 73 73 ALA H H 73 8.343 8.343 8.020 0.323 25067 9649 1 16 . 1 1 74 74 LYS N N 74 117.936 117.936 118.682 -0.746 25067 9650 1 16 . 1 1 74 74 LYS HA H 74 3.644 3.644 4.446 -0.802 25067 9651 1 16 . 1 1 74 74 LYS C C 74 177.694 177.694 179.253 -1.559 25067 9652 1 16 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.580 0.741 25067 9653 1 16 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.495 0.180 25067 9654 1 16 . 1 1 74 74 LYS H H 74 7.934 7.934 7.537 0.397 25067 9655 1 16 . 1 1 75 75 LYS N N 75 116.863 116.863 118.844 -1.981 25067 9656 1 16 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.114 -0.135 25067 9657 1 16 . 1 1 75 75 LYS C C 75 178.884 178.884 178.460 0.424 25067 9658 1 16 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.563 -0.154 25067 9659 1 16 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.353 0.144 25067 9660 1 16 . 1 1 75 75 LYS H H 75 7.371 7.371 8.146 -0.775 25067 9661 1 16 . 1 1 76 76 TRP N N 76 121.108 121.108 121.589 -0.481 25067 9662 1 16 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.075 0.122 25067 9663 1 16 . 1 1 76 76 TRP C C 76 177.618 177.618 177.739 -0.121 25067 9664 1 16 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.511 0.215 25067 9665 1 16 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.150 0.843 25067 9666 1 16 . 1 1 76 76 TRP H H 76 8.156 8.156 7.803 0.353 25067 9667 1 16 . 1 1 77 77 ALA N N 77 120.099 120.099 120.465 -0.366 25067 9668 1 16 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.910 0.189 25067 9669 1 16 . 1 1 77 77 ALA C C 77 179.125 179.125 179.601 -0.476 25067 9670 1 16 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.201 0.447 25067 9671 1 16 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.623 -0.304 25067 9672 1 16 . 1 1 77 77 ALA H H 77 8.883 8.883 8.113 0.770 25067 9673 1 16 . 1 1 78 78 LEU N N 78 116.584 116.584 119.246 -2.662 25067 9674 1 16 . 1 1 78 78 LEU HA H 78 4.131 4.131 4.002 0.129 25067 9675 1 16 . 1 1 78 78 LEU C C 78 179.828 179.828 179.336 0.492 25067 9676 1 16 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.399 0.444 25067 9677 1 16 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.760 -0.062 25067 9678 1 16 . 1 1 78 78 LEU H H 78 8.238 8.238 7.596 0.642 25067 9679 1 16 . 1 1 79 79 GLU N N 79 121.435 121.435 118.805 2.630 25067 9680 1 16 . 1 1 79 79 GLU HA H 79 4.103 4.103 4.012 0.091 25067 9681 1 16 . 1 1 79 79 GLU C C 79 180.004 180.004 179.544 0.460 25067 9682 1 16 . 1 1 79 79 GLU CA C 79 59.370 59.370 58.988 0.382 25067 9683 1 16 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.102 0.020 25067 9684 1 16 . 1 1 79 79 GLU H H 79 8.296 8.296 8.025 0.271 25067 9685 1 16 . 1 1 80 80 VAL N N 80 122.863 122.863 120.202 2.661 25067 9686 1 16 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.414 -0.059 25067 9687 1 16 . 1 1 80 80 VAL C C 80 177.044 177.044 177.700 -0.656 25067 9688 1 16 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.308 0.161 25067 9689 1 16 . 1 1 80 80 VAL CB C 80 30.698 30.698 31.127 -0.429 25067 9690 1 16 . 1 1 80 80 VAL H H 80 8.603 8.603 7.957 0.646 25067 9691 1 16 . 1 1 81 81 ALA N N 81 122.490 122.490 121.314 1.176 25067 9692 1 16 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.892 -0.159 25067 9693 1 16 . 1 1 81 81 ALA C C 81 178.529 178.529 179.675 -1.146 25067 9694 1 16 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.332 0.313 25067 9695 1 16 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.137 0.278 25067 9696 1 16 . 1 1 81 81 ALA H H 81 7.684 7.684 7.715 -0.031 25067 9697 1 16 . 1 1 82 82 ASN N N 82 114.569 114.569 115.252 -0.683 25067 9698 1 16 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.481 -0.103 25067 9699 1 16 . 1 1 82 82 ASN C C 82 177.505 177.505 177.502 0.003 25067 9700 1 16 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.957 0.246 25067 9701 1 16 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.343 0.491 25067 9702 1 16 . 1 1 82 82 ASN H H 82 7.752 7.752 8.406 -0.654 25067 9703 1 16 . 1 1 83 83 LYS N N 83 121.384 121.384 122.005 -0.621 25067 9704 1 16 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.094 0.000 25067 9705 1 16 . 1 1 83 83 LYS C C 83 179.037 179.037 178.722 0.315 25067 9706 1 16 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.902 0.173 25067 9707 1 16 . 1 1 83 83 LYS CB C 83 32.148 32.148 32.249 -0.101 25067 9708 1 16 . 1 1 83 83 LYS H H 83 8.343 8.343 7.595 0.748 25067 9709 1 16 . 1 1 84 84 ILE N N 84 120.298 120.298 118.543 1.755 25067 9710 1 16 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.741 -0.256 25067 9711 1 16 . 1 1 84 84 ILE C C 84 177.063 177.063 177.864 -0.801 25067 9712 1 16 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.107 1.081 25067 9713 1 16 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.642 0.746 25067 9714 1 16 . 1 1 84 84 ILE H H 84 8.496 8.496 7.657 0.839 25067 9715 1 16 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.976 -0.160 25067 9716 1 16 . 1 1 85 85 ALA C C 85 179.891 179.891 179.389 0.502 25067 9717 1 16 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.227 0.564 25067 9718 1 16 . 1 1 85 85 ALA CB C 85 18.048 18.048 17.993 0.055 25067 9719 1 16 . 1 1 85 85 ALA H H 85 7.768 7.768 8.135 -0.367 25067 9720 1 16 . 1 1 86 86 ASN N N 86 116.155 116.155 116.297 -0.142 25067 9721 1 16 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.501 0.034 25067 9722 1 16 . 1 1 86 86 ASN C C 86 178.423 178.423 176.975 1.448 25067 9723 1 16 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.658 0.448 25067 9724 1 16 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.499 0.284 25067 9725 1 16 . 1 1 86 86 ASN H H 86 8.355 8.355 7.893 0.462 25067 9726 1 16 . 1 1 87 87 GLU N N 87 120.806 120.806 119.838 0.968 25067 9727 1 16 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.123 0.053 25067 9728 1 16 . 1 1 87 87 GLU C C 87 178.381 178.381 178.143 0.238 25067 9729 1 16 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.732 0.177 25067 9730 1 16 . 1 1 87 87 GLU CB C 87 29.652 29.652 30.004 -0.352 25067 9731 1 16 . 1 1 87 87 GLU H H 87 8.431 8.431 7.977 0.454 25067 9732 1 16 . 1 1 88 88 LEU N N 88 115.825 115.825 116.890 -1.065 25067 9733 1 16 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.417 -0.061 25067 9734 1 16 . 1 1 88 88 LEU C C 88 177.442 177.442 177.409 0.033 25067 9735 1 16 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.537 -0.960 25067 9736 1 16 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.757 0.743 25067 9737 1 16 . 1 1 88 88 LEU H H 88 7.547 7.547 7.789 -0.242 25067 9738 1 16 . 1 1 89 89 GLY N N 89 109.579 109.579 107.708 1.871 25067 9739 1 16 . 1 1 89 89 GLY C C 89 174.321 174.321 173.237 1.084 25067 9740 1 16 . 1 1 89 89 GLY CA C 89 46.508 46.508 44.967 1.541 25067 9741 1 16 . 1 1 89 89 GLY H H 89 7.934 7.934 7.855 0.079 25067 9742 1 16 . 1 1 90 90 ALA N N 90 120.990 120.990 122.958 -1.968 25067 9743 1 16 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.667 -0.018 25067 9744 1 16 . 1 1 90 90 ALA C C 90 177.053 177.053 175.665 1.388 25067 9745 1 16 . 1 1 90 90 ALA CA C 90 51.074 51.074 50.851 0.223 25067 9746 1 16 . 1 1 90 90 ALA CB C 90 21.819 21.819 21.496 0.323 25067 9747 1 16 . 1 1 90 90 ALA H H 90 8.017 8.017 7.747 0.270 25067 9748 1 16 . 1 1 91 91 LYS N N 91 120.615 120.615 119.394 1.221 25067 9749 1 16 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.332 0.084 25067 9750 1 16 . 1 1 91 91 LYS C C 91 175.765 175.765 176.762 -0.997 25067 9751 1 16 . 1 1 91 91 LYS CA C 91 56.179 56.179 56.492 -0.313 25067 9752 1 16 . 1 1 91 91 LYS CB C 91 32.742 32.742 32.916 -0.174 25067 9753 1 16 . 1 1 91 91 LYS H H 91 8.366 8.366 8.271 0.095 25067 9754 1 16 . 1 1 92 92 GLN N N 92 119.273 119.273 118.099 1.174 25067 9755 1 16 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.532 0.629 25067 9756 1 16 . 1 1 92 92 GLN C C 92 175.136 175.136 175.533 -0.397 25067 9757 1 16 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.545 -1.435 25067 9758 1 16 . 1 1 92 92 GLN CB C 92 30.681 30.681 30.637 0.044 25067 9759 1 16 . 1 1 92 92 GLN H H 92 8.495 8.495 8.382 0.113 25067 9760 1 16 . 1 1 93 93 SER N N 93 117.003 117.003 113.644 3.359 25067 9761 1 16 . 1 1 93 93 SER HA H 93 4.781 4.781 5.097 -0.316 25067 9762 1 16 . 1 1 93 93 SER C C 93 173.735 173.735 174.100 -0.365 25067 9763 1 16 . 1 1 93 93 SER CA C 93 57.819 57.819 56.560 1.258 25067 9764 1 16 . 1 1 93 93 SER CB C 93 64.648 64.648 65.207 -0.558 25067 9765 1 16 . 1 1 93 93 SER H H 93 8.441 8.441 8.196 0.245 25067 9766 1 16 . 1 1 94 94 THR HA H 94 4.781 4.781 4.548 0.233 25067 9767 1 16 . 1 1 94 94 THR CA C 94 61.111 61.111 61.462 -0.351 25067 9768 1 16 . 1 1 94 94 THR CB C 94 71.032 71.032 69.748 1.284 25067 9769 1 16 . 1 1 95 95 THR N N 95 119.923 119.923 122.487 -2.564 25067 9770 1 16 . 1 1 95 95 THR HA H 95 5.098 5.098 4.477 0.621 25067 9771 1 16 . 1 1 95 95 THR CA C 95 60.438 60.438 61.037 -0.599 25067 9772 1 16 . 1 1 95 95 THR CB C 95 70.780 70.780 69.779 1.001 25067 9773 1 16 . 1 1 95 95 THR H H 95 8.762 8.762 8.297 0.465 25067 9774 1 16 . 1 1 96 96 THR HA H 96 4.367 4.367 4.590 -0.223 25067 9775 1 16 . 1 1 96 96 THR CA C 96 61.740 61.740 61.675 0.065 25067 9776 1 16 . 1 1 96 96 THR CB C 96 70.992 70.992 69.944 1.048 25067 9777 1 16 . 1 1 97 97 THR N N 97 120.315 120.315 119.564 0.751 25067 9778 1 16 . 1 1 97 97 THR HA H 97 5.363 5.363 4.638 0.725 25067 9779 1 16 . 1 1 97 97 THR CA C 97 61.379 61.379 61.028 0.351 25067 9780 1 16 . 1 1 97 97 THR CB C 97 71.216 71.216 70.110 1.106 25067 9781 1 16 . 1 1 97 97 THR H H 97 8.999 8.999 8.500 0.499 25067 9782 1 16 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.347 0.845 25067 9783 1 16 . 1 1 98 98 ASP C C 98 175.672 175.672 177.367 -1.695 25067 9784 1 16 . 1 1 98 98 ASP CA C 98 52.593 52.593 56.303 -3.710 25067 9785 1 16 . 1 1 98 98 ASP CB C 98 41.735 41.735 41.056 0.679 25067 9786 1 16 . 1 1 99 99 GLY N N 99 111.919 111.919 106.985 4.934 25067 9787 1 16 . 1 1 99 99 GLY C C 99 174.049 174.049 173.888 0.161 25067 9788 1 16 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.108 -1.082 25067 9789 1 16 . 1 1 99 99 GLY H H 99 7.817 7.817 8.641 -0.824 25067 9790 1 16 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.732 -0.178 25067 9791 1 16 . 1 1 100 100 ASP C C 100 177.518 177.518 175.057 2.461 25067 9792 1 16 . 1 1 100 100 ASP CA C 100 57.488 57.488 54.591 2.897 25067 9793 1 16 . 1 1 100 100 ASP CB C 100 41.637 41.637 42.806 -1.169 25067 9794 1 16 . 1 1 101 101 THR N N 101 112.835 112.835 115.358 -2.523 25067 9795 1 16 . 1 1 101 101 THR HA H 101 4.613 4.613 4.648 -0.035 25067 9796 1 16 . 1 1 101 101 THR C C 101 173.003 173.003 173.249 -0.246 25067 9797 1 16 . 1 1 101 101 THR CA C 101 60.857 60.857 61.374 -0.517 25067 9798 1 16 . 1 1 101 101 THR CB C 101 70.589 70.589 71.188 -0.599 25067 9799 1 16 . 1 1 101 101 THR H H 101 7.819 7.819 7.945 -0.126 25067 9800 1 16 . 1 1 102 102 PHE N N 102 126.633 126.633 125.595 1.038 25067 9801 1 16 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.817 0.074 25067 9802 1 16 . 1 1 102 102 PHE C C 102 173.286 173.286 173.647 -0.361 25067 9803 1 16 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.199 -0.026 25067 9804 1 16 . 1 1 102 102 PHE CB C 102 40.719 40.719 40.610 0.109 25067 9805 1 16 . 1 1 102 102 PHE H H 102 8.581 8.581 8.900 -0.319 25067 9806 1 16 . 1 1 103 103 GLU N N 103 125.528 125.528 129.716 -4.188 25067 9807 1 16 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.160 0.077 25067 9808 1 16 . 1 1 103 103 GLU C C 103 173.851 173.851 174.516 -0.665 25067 9809 1 16 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.430 -0.370 25067 9810 1 16 . 1 1 103 103 GLU CB C 103 34.318 34.318 32.218 2.100 25067 9811 1 16 . 1 1 103 103 GLU H H 103 7.986 7.986 8.750 -0.764 25067 9812 1 16 . 1 1 104 104 VAL N N 104 124.582 124.582 128.068 -3.486 25067 9813 1 16 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.648 -0.004 25067 9814 1 16 . 1 1 104 104 VAL C C 104 173.763 173.763 174.784 -1.021 25067 9815 1 16 . 1 1 104 104 VAL CA C 104 59.963 59.963 60.811 -0.848 25067 9816 1 16 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.618 0.752 25067 9817 1 16 . 1 1 104 104 VAL H H 104 9.245 9.245 8.792 0.453 25067 9818 1 16 . 1 1 105 105 GLU N N 105 127.755 127.755 129.086 -1.331 25067 9819 1 16 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.850 0.402 25067 9820 1 16 . 1 1 105 105 GLU C C 105 174.572 174.572 175.659 -1.087 25067 9821 1 16 . 1 1 105 105 GLU CA C 105 54.359 54.359 55.148 -0.789 25067 9822 1 16 . 1 1 105 105 GLU CB C 105 32.818 32.818 30.872 1.946 25067 9823 1 16 . 1 1 105 105 GLU H H 105 9.040 9.040 8.342 0.698 25067 9824 1 16 . 1 1 106 106 VAL N N 106 127.452 127.452 126.235 1.217 25067 9825 1 16 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.128 0.640 25067 9826 1 16 . 1 1 106 106 VAL C C 106 174.692 174.692 175.219 -0.527 25067 9827 1 16 . 1 1 106 106 VAL CA C 106 60.423 60.423 62.310 -1.887 25067 9828 1 16 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.435 2.707 25067 9829 1 16 . 1 1 106 106 VAL H H 106 9.315 9.315 9.064 0.251 25067 9830 1 16 . 1 1 107 107 ILE N N 107 127.006 127.006 129.269 -2.263 25067 9831 1 16 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.392 0.225 25067 9832 1 16 . 1 1 107 107 ILE C C 107 176.187 176.187 174.977 1.210 25067 9833 1 16 . 1 1 107 107 ILE CA C 107 60.406 60.406 60.697 -0.291 25067 9834 1 16 . 1 1 107 107 ILE CB C 107 38.521 38.521 37.532 0.989 25067 9835 1 16 . 1 1 107 107 ILE H H 107 8.814 8.814 7.861 0.953 25067 9836 1 16 . 1 1 108 108 LEU N N 108 128.313 128.313 128.980 -0.667 25067 9837 1 16 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.596 0.161 25067 9838 1 16 . 1 1 108 108 LEU C C 108 176.058 176.058 176.161 -0.103 25067 9839 1 16 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.520 0.604 25067 9840 1 16 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.699 1.375 25067 9841 1 16 . 1 1 108 108 LEU H H 108 8.652 8.652 8.122 0.530 25067 9842 1 16 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.360 0.172 25067 9843 1 16 . 1 1 109 109 GLU C C 109 175.408 175.408 176.284 -0.876 25067 9844 1 16 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.691 -0.330 25067 9845 1 16 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.201 1.446 25067 9846 1 16 . 1 1 110 110 LEU N N 110 125.467 125.467 127.369 -1.902 25067 9847 1 16 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.585 -0.184 25067 9848 1 16 . 1 1 110 110 LEU C C 110 176.854 176.854 177.389 -0.535 25067 9849 1 16 . 1 1 110 110 LEU CA C 110 54.969 54.969 53.071 1.898 25067 9850 1 16 . 1 1 110 110 LEU CB C 110 42.515 42.515 38.849 3.666 25067 9851 1 16 . 1 1 110 110 LEU H H 110 8.402 8.402 8.019 0.383 25067 9852 1 16 . 1 1 111 111 GLU N N 111 121.575 121.575 122.272 -0.697 25067 9853 1 16 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.183 0.079 25067 9854 1 16 . 1 1 111 111 GLU CA C 111 56.521 56.521 57.734 -1.213 25067 9855 1 16 . 1 1 111 111 GLU CB C 111 30.291 30.291 28.759 1.532 25067 9856 1 16 . 1 1 111 111 GLU H H 111 8.607 8.607 7.939 0.668 25067 9857 1 17 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.694 -0.574 25067 9858 1 17 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.257 -0.096 25067 9859 1 17 . 1 1 2 2 ALA CB C 2 19.392 19.392 19.175 0.217 25067 9860 1 17 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.052 0.326 25067 9861 1 17 . 1 1 4 4 LYS C C 4 176.563 176.563 174.936 1.627 25067 9862 1 17 . 1 1 4 4 LYS CA C 4 56.384 56.384 56.575 -0.191 25067 9863 1 17 . 1 1 4 4 LYS CB C 4 33.156 33.156 32.696 0.460 25067 9864 1 17 . 1 1 5 5 GLU N N 5 122.511 122.511 120.506 2.005 25067 9865 1 17 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.571 -0.194 25067 9866 1 17 . 1 1 5 5 GLU C C 5 176.099 176.099 175.570 0.529 25067 9867 1 17 . 1 1 5 5 GLU CA C 5 56.384 56.384 55.307 1.077 25067 9868 1 17 . 1 1 5 5 GLU CB C 5 29.803 29.803 30.512 -0.709 25067 9869 1 17 . 1 1 5 5 GLU H H 5 8.601 8.601 8.413 0.188 25067 9870 1 17 . 1 1 6 6 LEU N N 6 124.063 124.063 126.602 -2.539 25067 9871 1 17 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.368 0.031 25067 9872 1 17 . 1 1 6 6 LEU C C 6 175.082 175.082 176.278 -1.196 25067 9873 1 17 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.345 0.380 25067 9874 1 17 . 1 1 6 6 LEU CB C 6 42.213 42.213 42.056 0.157 25067 9875 1 17 . 1 1 6 6 LEU H H 6 8.409 8.409 8.847 -0.438 25067 9876 1 17 . 1 1 7 7 ARG N N 7 122.244 122.244 124.435 -2.191 25067 9877 1 17 . 1 1 7 7 ARG HA H 7 4.445 4.445 3.998 0.447 25067 9878 1 17 . 1 1 7 7 ARG C C 7 174.768 174.768 174.785 -0.017 25067 9879 1 17 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.993 -1.303 25067 9880 1 17 . 1 1 7 7 ARG CB C 7 32.090 32.090 29.222 2.868 25067 9881 1 17 . 1 1 7 7 ARG H H 7 8.016 8.016 8.239 -0.223 25067 9882 1 17 . 1 1 8 8 VAL N N 8 123.767 123.767 125.913 -2.146 25067 9883 1 17 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.601 -0.309 25067 9884 1 17 . 1 1 8 8 VAL C C 8 173.562 173.562 174.359 -0.797 25067 9885 1 17 . 1 1 8 8 VAL CA C 8 60.842 60.842 61.028 -0.186 25067 9886 1 17 . 1 1 8 8 VAL CB C 8 34.184 34.184 32.341 1.843 25067 9887 1 17 . 1 1 8 8 VAL H H 8 8.659 8.659 7.403 1.256 25067 9888 1 17 . 1 1 9 9 GLU N N 9 127.779 127.779 128.180 -0.401 25067 9889 1 17 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.958 -0.068 25067 9890 1 17 . 1 1 9 9 GLU C C 9 175.446 175.446 175.362 0.084 25067 9891 1 17 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.661 0.822 25067 9892 1 17 . 1 1 9 9 GLU CB C 9 30.750 30.750 31.113 -0.363 25067 9893 1 17 . 1 1 9 9 GLU H H 9 8.513 8.513 8.863 -0.350 25067 9894 1 17 . 1 1 10 10 ILE N N 10 127.770 127.770 126.317 1.453 25067 9895 1 17 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.392 0.508 25067 9896 1 17 . 1 1 10 10 ILE C C 10 174.981 174.981 175.240 -0.259 25067 9897 1 17 . 1 1 10 10 ILE CA C 10 58.424 58.424 58.719 -0.295 25067 9898 1 17 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.144 1.501 25067 9899 1 17 . 1 1 10 10 ILE H H 10 9.199 9.199 8.591 0.608 25067 9900 1 17 . 1 1 11 11 LYS N N 11 125.866 125.866 130.313 -4.447 25067 9901 1 17 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.993 0.445 25067 9902 1 17 . 1 1 11 11 LYS C C 11 175.835 175.835 175.238 0.597 25067 9903 1 17 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.608 0.209 25067 9904 1 17 . 1 1 11 11 LYS CB C 11 35.060 35.060 33.067 1.993 25067 9905 1 17 . 1 1 11 11 LYS H H 11 9.257 9.257 8.446 0.811 25067 9906 1 17 . 1 1 12 12 ILE N N 12 121.799 121.799 128.070 -6.271 25067 9907 1 17 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.366 0.933 25067 9908 1 17 . 1 1 12 12 ILE C C 12 175.132 175.132 174.961 0.171 25067 9909 1 17 . 1 1 12 12 ILE CA C 12 59.134 59.134 59.509 -0.375 25067 9910 1 17 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.897 1.769 25067 9911 1 17 . 1 1 12 12 ILE H H 12 9.075 9.075 8.374 0.701 25067 9912 1 17 . 1 1 13 13 ASP N N 13 129.263 129.263 129.422 -0.159 25067 9913 1 17 . 1 1 13 13 ASP HA H 13 5.209 5.209 5.023 0.186 25067 9914 1 17 . 1 1 13 13 ASP C C 13 175.898 175.898 175.749 0.149 25067 9915 1 17 . 1 1 13 13 ASP CA C 13 52.731 52.731 54.556 -1.825 25067 9916 1 17 . 1 1 13 13 ASP CB C 13 43.750 43.750 41.648 2.102 25067 9917 1 17 . 1 1 13 13 ASP H H 13 9.415 9.415 8.554 0.861 25067 9918 1 17 . 1 1 14 14 CYS N N 14 122.767 122.767 124.197 -1.430 25067 9919 1 17 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.847 0.085 25067 9920 1 17 . 1 1 14 14 CYS C C 14 174.228 174.228 175.891 -1.663 25067 9921 1 17 . 1 1 14 14 CYS CA C 14 58.269 58.269 58.706 -0.438 25067 9922 1 17 . 1 1 14 14 CYS CB C 14 28.447 28.447 29.367 -0.920 25067 9923 1 17 . 1 1 14 14 CYS H H 14 9.274 9.274 7.996 1.278 25067 9924 1 17 . 1 1 15 15 GLY N N 15 110.606 110.606 109.114 1.492 25067 9925 1 17 . 1 1 15 15 GLY C C 15 173.986 173.986 172.945 1.041 25067 9926 1 17 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.273 0.619 25067 9927 1 17 . 1 1 15 15 GLY H H 15 8.919 8.919 8.460 0.459 25067 9928 1 17 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.786 0.010 25067 9929 1 17 . 1 1 16 16 ASN C C 16 175.157 175.157 173.297 1.860 25067 9930 1 17 . 1 1 16 16 ASN CA C 16 53.181 53.181 52.544 0.637 25067 9931 1 17 . 1 1 16 16 ASN CB C 16 38.955 38.955 41.409 -2.454 25067 9932 1 17 . 1 1 17 17 ASP N N 17 118.767 118.767 119.796 -1.029 25067 9933 1 17 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.740 -0.151 25067 9934 1 17 . 1 1 17 17 ASP C C 17 175.493 175.493 176.491 -0.998 25067 9935 1 17 . 1 1 17 17 ASP CA C 17 54.533 54.533 54.687 -0.154 25067 9936 1 17 . 1 1 17 17 ASP CB C 17 40.992 40.992 42.190 -1.198 25067 9937 1 17 . 1 1 17 17 ASP H H 17 8.409 8.409 8.546 -0.137 25067 9938 1 17 . 1 1 18 18 ASP N N 18 119.912 119.912 121.364 -1.452 25067 9939 1 17 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.676 -0.070 25067 9940 1 17 . 1 1 18 18 ASP C C 18 175.870 175.870 175.155 0.715 25067 9941 1 17 . 1 1 18 18 ASP CA C 18 54.242 54.242 54.247 -0.005 25067 9942 1 17 . 1 1 18 18 ASP CB C 18 41.116 41.116 39.968 1.148 25067 9943 1 17 . 1 1 18 18 ASP H H 18 8.291 8.291 8.257 0.034 25067 9944 1 17 . 1 1 19 19 LYS N N 19 120.828 120.828 122.723 -1.895 25067 9945 1 17 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.270 0.169 25067 9946 1 17 . 1 1 19 19 LYS C C 19 176.121 176.121 174.438 1.683 25067 9947 1 17 . 1 1 19 19 LYS CA C 19 55.646 55.646 56.482 -0.836 25067 9948 1 17 . 1 1 19 19 LYS CB C 19 33.015 33.015 33.828 -0.813 25067 9949 1 17 . 1 1 19 19 LYS H H 19 8.140 8.140 7.736 0.404 25067 9950 1 17 . 1 1 20 20 GLU N N 20 123.292 123.292 124.700 -1.408 25067 9951 1 17 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.236 0.304 25067 9952 1 17 . 1 1 20 20 GLU C C 20 176.413 176.413 175.711 0.702 25067 9953 1 17 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.737 -0.219 25067 9954 1 17 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.775 0.768 25067 9955 1 17 . 1 1 20 20 GLU H H 20 8.645 8.645 8.487 0.158 25067 9956 1 17 . 1 1 21 21 THR N N 21 119.747 119.747 123.306 -3.559 25067 9957 1 17 . 1 1 21 21 THR HA H 21 4.517 4.517 4.596 -0.079 25067 9958 1 17 . 1 1 21 21 THR C C 21 173.148 173.148 173.002 0.146 25067 9959 1 17 . 1 1 21 21 THR CA C 21 61.989 61.989 61.286 0.703 25067 9960 1 17 . 1 1 21 21 THR CB C 21 70.485 70.485 69.950 0.535 25067 9961 1 17 . 1 1 21 21 THR H H 21 8.589 8.589 8.449 0.140 25067 9962 1 17 . 1 1 22 22 THR N N 22 119.539 119.539 117.243 2.296 25067 9963 1 17 . 1 1 22 22 THR HA H 22 5.342 5.342 5.296 0.046 25067 9964 1 17 . 1 1 22 22 THR C C 22 173.148 173.148 173.659 -0.511 25067 9965 1 17 . 1 1 22 22 THR CA C 22 60.977 60.977 59.443 1.534 25067 9966 1 17 . 1 1 22 22 THR CB C 22 70.490 70.490 71.136 -0.646 25067 9967 1 17 . 1 1 22 22 THR H H 22 8.191 8.191 8.259 -0.068 25067 9968 1 17 . 1 1 23 23 TYR N N 23 123.279 123.279 122.517 0.762 25067 9969 1 17 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.626 0.028 25067 9970 1 17 . 1 1 23 23 TYR C C 23 173.400 173.400 175.063 -1.663 25067 9971 1 17 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.599 -0.617 25067 9972 1 17 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.526 1.792 25067 9973 1 17 . 1 1 23 23 TYR H H 23 9.268 9.268 8.710 0.558 25067 9974 1 17 . 1 1 24 24 ASP N N 24 121.837 121.837 125.981 -4.144 25067 9975 1 17 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.475 -0.631 25067 9976 1 17 . 1 1 24 24 ASP C C 24 173.400 173.400 175.601 -2.201 25067 9977 1 17 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.780 -0.311 25067 9978 1 17 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.691 0.250 25067 9979 1 17 . 1 1 24 24 ASP H H 24 8.484 8.484 8.630 -0.146 25067 9980 1 17 . 1 1 25 25 LEU N N 25 126.268 126.268 120.923 5.345 25067 9981 1 17 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.890 -0.790 25067 9982 1 17 . 1 1 25 25 LEU C C 25 174.677 174.677 174.210 0.467 25067 9983 1 17 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.252 -0.519 25067 9984 1 17 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.778 -2.152 25067 9985 1 17 . 1 1 25 25 LEU H H 25 8.619 8.619 7.866 0.753 25067 9986 1 17 . 1 1 26 26 TYR N N 26 123.695 123.695 115.800 7.895 25067 9987 1 17 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.731 -0.096 25067 9988 1 17 . 1 1 26 26 TYR C C 26 176.833 176.833 175.553 1.280 25067 9989 1 17 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.538 -0.256 25067 9990 1 17 . 1 1 26 26 TYR CB C 26 38.143 38.143 41.559 -3.416 25067 9991 1 17 . 1 1 26 26 TYR H H 26 8.465 8.465 8.155 0.310 25067 9992 1 17 . 1 1 27 27 PHE N N 27 119.951 119.951 122.964 -3.013 25067 9993 1 17 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.549 0.237 25067 9994 1 17 . 1 1 27 27 PHE C C 27 176.205 176.205 176.197 0.008 25067 9995 1 17 . 1 1 27 27 PHE CA C 27 60.136 60.136 56.944 3.192 25067 9996 1 17 . 1 1 27 27 PHE CB C 27 38.455 38.455 37.540 0.915 25067 9997 1 17 . 1 1 27 27 PHE H H 27 7.991 7.991 8.321 -0.330 25067 9998 1 17 . 1 1 28 28 SER N N 28 114.987 114.987 120.135 -5.148 25067 9999 1 17 . 1 1 28 28 SER HA H 28 4.455 4.455 4.305 0.150 25067 10000 1 17 . 1 1 28 28 SER C C 28 174.517 174.517 174.509 0.008 25067 10001 1 17 . 1 1 28 28 SER CA C 28 59.489 59.489 60.265 -0.776 25067 10002 1 17 . 1 1 28 28 SER CB C 28 62.828 62.828 63.640 -0.812 25067 10003 1 17 . 1 1 28 28 SER H H 28 8.508 8.508 8.645 -0.137 25067 10004 1 17 . 1 1 29 29 LYS N N 29 123.721 123.721 117.276 6.445 25067 10005 1 17 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.561 0.092 25067 10006 1 17 . 1 1 29 29 LYS C C 29 175.954 175.954 176.619 -0.665 25067 10007 1 17 . 1 1 29 29 LYS CA C 29 54.695 54.695 55.132 -0.437 25067 10008 1 17 . 1 1 29 29 LYS CB C 29 31.548 31.548 34.542 -2.994 25067 10009 1 17 . 1 1 29 29 LYS H H 29 7.723 7.723 7.592 0.131 25067 10010 1 17 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.054 0.018 25067 10011 1 17 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.595 -0.048 25067 10012 1 17 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.319 0.452 25067 10013 1 17 . 1 1 31 31 GLU N N 31 117.703 117.703 118.479 -0.776 25067 10014 1 17 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.093 0.085 25067 10015 1 17 . 1 1 31 31 GLU C C 31 179.251 179.251 179.095 0.156 25067 10016 1 17 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.462 0.135 25067 10017 1 17 . 1 1 31 31 GLU CB C 31 28.599 28.599 28.704 -0.105 25067 10018 1 17 . 1 1 31 31 GLU H H 31 9.034 9.034 8.891 0.143 25067 10019 1 17 . 1 1 32 32 GLU N N 32 121.084 121.084 119.529 1.555 25067 10020 1 17 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.112 0.073 25067 10021 1 17 . 1 1 32 32 GLU C C 32 179.251 179.251 178.659 0.592 25067 10022 1 17 . 1 1 32 32 GLU CA C 32 59.217 59.217 59.033 0.184 25067 10023 1 17 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.297 0.034 25067 10024 1 17 . 1 1 32 32 GLU H H 32 8.046 8.046 8.529 -0.483 25067 10025 1 17 . 1 1 33 33 ALA N N 33 122.906 122.906 123.016 -0.110 25067 10026 1 17 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.117 -0.027 25067 10027 1 17 . 1 1 33 33 ALA C C 33 180.244 180.244 179.664 0.580 25067 10028 1 17 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.329 0.190 25067 10029 1 17 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.204 -0.236 25067 10030 1 17 . 1 1 33 33 ALA H H 33 8.383 8.383 8.191 0.192 25067 10031 1 17 . 1 1 34 34 LYS N N 34 119.560 119.560 117.489 2.071 25067 10032 1 17 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.064 0.126 25067 10033 1 17 . 1 1 34 34 LYS C C 34 179.198 179.198 178.771 0.427 25067 10034 1 17 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.833 -0.352 25067 10035 1 17 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.313 0.139 25067 10036 1 17 . 1 1 34 34 LYS H H 34 7.885 7.885 8.244 -0.359 25067 10037 1 17 . 1 1 35 35 GLU N N 35 121.053 121.053 120.795 0.258 25067 10038 1 17 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.073 0.108 25067 10039 1 17 . 1 1 35 35 GLU C C 35 179.288 179.288 178.605 0.683 25067 10040 1 17 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.472 -0.081 25067 10041 1 17 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.493 -0.149 25067 10042 1 17 . 1 1 35 35 GLU H H 35 8.042 8.042 7.528 0.514 25067 10043 1 17 . 1 1 36 36 LEU N N 36 121.053 121.053 120.562 0.491 25067 10044 1 17 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.220 0.017 25067 10045 1 17 . 1 1 36 36 LEU C C 36 177.982 177.982 179.557 -1.575 25067 10046 1 17 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.762 -0.025 25067 10047 1 17 . 1 1 36 36 LEU CB C 36 41.941 41.941 40.968 0.973 25067 10048 1 17 . 1 1 36 36 LEU H H 36 8.434 8.434 8.200 0.234 25067 10049 1 17 . 1 1 37 37 LEU N N 37 120.035 120.035 121.023 -0.988 25067 10050 1 17 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.543 0.073 25067 10051 1 17 . 1 1 37 37 LEU C C 37 178.070 178.070 178.427 -0.357 25067 10052 1 17 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.709 0.840 25067 10053 1 17 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.522 0.626 25067 10054 1 17 . 1 1 37 37 LEU H H 37 7.883 7.883 8.528 -0.645 25067 10055 1 17 . 1 1 38 38 LYS N N 38 116.604 116.604 118.666 -2.062 25067 10056 1 17 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.950 -0.154 25067 10057 1 17 . 1 1 38 38 LYS C C 38 178.246 178.246 179.105 -0.859 25067 10058 1 17 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.492 0.023 25067 10059 1 17 . 1 1 38 38 LYS CB C 38 32.595 32.595 31.964 0.631 25067 10060 1 17 . 1 1 38 38 LYS H H 38 7.102 7.102 7.684 -0.582 25067 10061 1 17 . 1 1 39 39 LYS N N 39 118.823 118.823 120.313 -1.490 25067 10062 1 17 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.064 0.091 25067 10063 1 17 . 1 1 39 39 LYS C C 39 179.464 179.464 178.976 0.488 25067 10064 1 17 . 1 1 39 39 LYS CA C 39 59.126 59.126 58.984 0.142 25067 10065 1 17 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.051 0.643 25067 10066 1 17 . 1 1 39 39 LYS H H 39 7.752 7.752 8.028 -0.276 25067 10067 1 17 . 1 1 40 40 VAL N N 40 119.336 119.336 119.591 -0.255 25067 10068 1 17 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.392 -0.039 25067 10069 1 17 . 1 1 40 40 VAL C C 40 178.612 178.612 177.726 0.886 25067 10070 1 17 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.381 -0.045 25067 10071 1 17 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.265 -0.113 25067 10072 1 17 . 1 1 40 40 VAL H H 40 8.925 8.925 8.015 0.910 25067 10073 1 17 . 1 1 41 41 ALA N N 41 120.709 120.709 122.044 -1.335 25067 10074 1 17 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.884 0.011 25067 10075 1 17 . 1 1 41 41 ALA C C 41 179.163 179.163 179.675 -0.512 25067 10076 1 17 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.329 -0.304 25067 10077 1 17 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.192 0.503 25067 10078 1 17 . 1 1 41 41 ALA H H 41 8.001 8.001 7.959 0.042 25067 10079 1 17 . 1 1 42 42 GLU N N 42 117.330 117.330 117.991 -0.661 25067 10080 1 17 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.048 -0.112 25067 10081 1 17 . 1 1 42 42 GLU C C 42 179.452 179.452 179.412 0.040 25067 10082 1 17 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.098 0.513 25067 10083 1 17 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.612 0.127 25067 10084 1 17 . 1 1 42 42 GLU H H 42 8.197 8.197 8.214 -0.017 25067 10085 1 17 . 1 1 43 43 LYS N N 43 119.586 119.586 119.397 0.189 25067 10086 1 17 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.073 0.125 25067 10087 1 17 . 1 1 43 43 LYS C C 43 179.595 179.595 178.796 0.799 25067 10088 1 17 . 1 1 43 43 LYS CA C 43 58.769 58.769 58.266 0.503 25067 10089 1 17 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.753 0.318 25067 10090 1 17 . 1 1 43 43 LYS H H 43 8.119 8.119 8.053 0.066 25067 10091 1 17 . 1 1 44 44 ALA N N 44 121.948 121.948 121.721 0.227 25067 10092 1 17 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.031 0.235 25067 10093 1 17 . 1 1 44 44 ALA C C 44 178.937 178.937 179.245 -0.308 25067 10094 1 17 . 1 1 44 44 ALA CA C 44 54.990 54.990 55.067 -0.077 25067 10095 1 17 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.278 -0.477 25067 10096 1 17 . 1 1 44 44 ALA H H 44 8.396 8.396 8.082 0.314 25067 10097 1 17 . 1 1 45 45 ALA N N 45 118.814 118.814 120.230 -1.416 25067 10098 1 17 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.929 0.028 25067 10099 1 17 . 1 1 45 45 ALA C C 45 178.887 178.887 179.103 -0.216 25067 10100 1 17 . 1 1 45 45 ALA CA C 45 55.568 55.568 55.026 0.542 25067 10101 1 17 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.326 -0.299 25067 10102 1 17 . 1 1 45 45 ALA H H 45 8.519 8.519 8.080 0.439 25067 10103 1 17 . 1 1 46 46 ASP N N 46 116.930 116.930 118.030 -1.100 25067 10104 1 17 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.402 -0.003 25067 10105 1 17 . 1 1 46 46 ASP C C 46 178.020 178.020 178.565 -0.545 25067 10106 1 17 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.173 0.466 25067 10107 1 17 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.996 0.840 25067 10108 1 17 . 1 1 46 46 ASP H H 46 7.852 7.852 7.858 -0.006 25067 10109 1 17 . 1 1 47 47 LYS N N 47 119.467 119.467 118.868 0.599 25067 10110 1 17 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.164 -0.071 25067 10111 1 17 . 1 1 47 47 LYS C C 47 178.924 178.924 179.262 -0.338 25067 10112 1 17 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.038 1.634 25067 10113 1 17 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.126 0.385 25067 10114 1 17 . 1 1 47 47 LYS H H 47 7.692 7.692 7.713 -0.021 25067 10115 1 17 . 1 1 48 48 ILE N N 48 119.929 119.929 119.810 0.119 25067 10116 1 17 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.889 -0.149 25067 10117 1 17 . 1 1 48 48 ILE C C 48 179.025 179.025 177.364 1.661 25067 10118 1 17 . 1 1 48 48 ILE CA C 48 64.978 64.978 64.514 0.464 25067 10119 1 17 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.962 0.330 25067 10120 1 17 . 1 1 48 48 ILE H H 48 8.585 8.585 8.174 0.411 25067 10121 1 17 . 1 1 49 49 LYS N N 49 119.534 119.534 118.799 0.735 25067 10122 1 17 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.115 -0.098 25067 10123 1 17 . 1 1 49 49 LYS C C 49 179.025 179.025 178.065 0.960 25067 10124 1 17 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.609 1.038 25067 10125 1 17 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.525 0.076 25067 10126 1 17 . 1 1 49 49 LYS H H 49 8.353 8.353 7.661 0.692 25067 10127 1 17 . 1 1 50 50 LYS N N 50 117.423 117.423 116.384 1.039 25067 10128 1 17 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.216 0.000 25067 10129 1 17 . 1 1 50 50 LYS C C 50 178.510 178.510 176.376 2.134 25067 10130 1 17 . 1 1 50 50 LYS CA C 50 58.497 58.497 57.473 1.024 25067 10131 1 17 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.726 -0.404 25067 10132 1 17 . 1 1 50 50 LYS H H 50 7.996 7.996 7.446 0.550 25067 10133 1 17 . 1 1 51 51 GLN N N 51 115.137 115.137 117.696 -2.559 25067 10134 1 17 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.369 0.112 25067 10135 1 17 . 1 1 51 51 GLN C C 51 177.292 177.292 174.764 2.528 25067 10136 1 17 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.850 0.157 25067 10137 1 17 . 1 1 51 51 GLN CB C 51 29.940 29.940 30.314 -0.374 25067 10138 1 17 . 1 1 51 51 GLN H H 51 8.384 8.384 7.648 0.736 25067 10139 1 17 . 1 1 52 52 GLY N N 52 109.119 109.119 113.089 -3.970 25067 10140 1 17 . 1 1 52 52 GLY C C 52 174.391 174.391 174.399 -0.008 25067 10141 1 17 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.532 1.028 25067 10142 1 17 . 1 1 52 52 GLY H H 52 8.218 8.218 8.626 -0.408 25067 10143 1 17 . 1 1 53 53 CYS N N 53 116.935 116.935 123.692 -6.757 25067 10144 1 17 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.457 0.028 25067 10145 1 17 . 1 1 53 53 CYS C C 53 173.989 173.989 175.530 -1.541 25067 10146 1 17 . 1 1 53 53 CYS CA C 53 58.148 58.148 57.709 0.439 25067 10147 1 17 . 1 1 53 53 CYS CB C 53 28.714 28.714 26.739 1.975 25067 10148 1 17 . 1 1 53 53 CYS H H 53 7.623 7.623 8.452 -0.829 25067 10149 1 17 . 1 1 54 54 LYS N N 54 120.659 120.659 123.418 -2.759 25067 10150 1 17 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.378 0.122 25067 10151 1 17 . 1 1 54 54 LYS C C 54 174.793 174.793 177.074 -2.281 25067 10152 1 17 . 1 1 54 54 LYS CA C 54 56.326 56.326 58.411 -2.085 25067 10153 1 17 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.807 0.902 25067 10154 1 17 . 1 1 54 54 LYS H H 54 8.765 8.765 8.164 0.601 25067 10155 1 17 . 1 1 55 55 ARG N N 55 117.927 117.927 118.265 -0.338 25067 10156 1 17 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.769 0.674 25067 10157 1 17 . 1 1 55 55 ARG C C 55 174.517 174.517 173.653 0.864 25067 10158 1 17 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.637 -1.048 25067 10159 1 17 . 1 1 55 55 ARG CB C 55 33.616 33.616 33.364 0.252 25067 10160 1 17 . 1 1 55 55 ARG H H 55 7.603 7.603 7.349 0.254 25067 10161 1 17 . 1 1 56 56 VAL N N 56 122.079 122.079 125.604 -3.525 25067 10162 1 17 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.411 0.414 25067 10163 1 17 . 1 1 56 56 VAL C C 56 173.311 173.311 175.025 -1.714 25067 10164 1 17 . 1 1 56 56 VAL CA C 56 60.285 60.285 61.240 -0.955 25067 10165 1 17 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.047 0.883 25067 10166 1 17 . 1 1 56 56 VAL H H 56 8.853 8.853 8.788 0.065 25067 10167 1 17 . 1 1 57 57 LYS N N 57 125.849 125.849 124.345 1.504 25067 10168 1 17 . 1 1 57 57 LYS HA H 57 5.604 5.604 5.045 0.559 25067 10169 1 17 . 1 1 57 57 LYS C C 57 174.881 174.881 175.197 -0.316 25067 10170 1 17 . 1 1 57 57 LYS CA C 57 54.738 54.738 54.928 -0.190 25067 10171 1 17 . 1 1 57 57 LYS CB C 57 35.935 35.935 36.667 -0.732 25067 10172 1 17 . 1 1 57 57 LYS H H 57 8.819 8.819 8.820 -0.001 25067 10173 1 17 . 1 1 58 58 ILE N N 58 125.213 125.213 121.372 3.841 25067 10174 1 17 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.473 0.694 25067 10175 1 17 . 1 1 58 58 ILE C C 58 174.981 174.981 174.176 0.805 25067 10176 1 17 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.763 -0.167 25067 10177 1 17 . 1 1 58 58 ILE CB C 58 40.859 40.859 42.178 -1.319 25067 10178 1 17 . 1 1 58 58 ILE H H 58 9.204 9.204 8.577 0.627 25067 10179 1 17 . 1 1 59 59 ARG N N 59 124.047 124.047 128.043 -3.996 25067 10180 1 17 . 1 1 59 59 ARG HA H 59 6.101 6.101 4.824 1.277 25067 10181 1 17 . 1 1 59 59 ARG C C 59 175.144 175.144 173.807 1.337 25067 10182 1 17 . 1 1 59 59 ARG CA C 59 54.091 54.091 55.179 -1.088 25067 10183 1 17 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.576 2.459 25067 10184 1 17 . 1 1 59 59 ARG H H 59 9.467 9.467 8.914 0.553 25067 10185 1 17 . 1 1 60 60 PHE N N 60 113.223 113.223 126.998 -13.775 25067 10186 1 17 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.447 -0.243 25067 10187 1 17 . 1 1 60 60 PHE C C 60 173.110 173.110 173.541 -0.431 25067 10188 1 17 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.424 0.507 25067 10189 1 17 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.793 -1.413 25067 10190 1 17 . 1 1 60 60 PHE H H 60 8.451 8.451 8.567 -0.116 25067 10191 1 17 . 1 1 61 61 GLU N N 61 121.333 121.333 126.006 -4.673 25067 10192 1 17 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.540 0.104 25067 10193 1 17 . 1 1 61 61 GLU C C 61 177.147 177.147 174.958 2.189 25067 10194 1 17 . 1 1 61 61 GLU CA C 61 55.965 55.965 55.362 0.603 25067 10195 1 17 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.857 -0.159 25067 10196 1 17 . 1 1 61 61 GLU H H 61 9.572 9.572 7.886 1.686 25067 10197 1 17 . 1 1 62 62 LYS N N 62 121.311 121.311 127.513 -6.202 25067 10198 1 17 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.612 -0.269 25067 10199 1 17 . 1 1 62 62 LYS C C 62 177.398 177.398 174.675 2.723 25067 10200 1 17 . 1 1 62 62 LYS CA C 62 58.185 58.185 54.913 3.272 25067 10201 1 17 . 1 1 62 62 LYS CB C 62 32.937 32.937 33.658 -0.721 25067 10202 1 17 . 1 1 62 62 LYS H H 62 8.160 8.160 8.282 -0.122 25067 10203 1 17 . 1 1 63 63 LYS N N 63 120.742 120.742 125.245 -4.503 25067 10204 1 17 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.608 -0.490 25067 10205 1 17 . 1 1 63 63 LYS C C 63 177.015 177.015 175.777 1.238 25067 10206 1 17 . 1 1 63 63 LYS CA C 63 58.693 58.693 56.647 2.046 25067 10207 1 17 . 1 1 63 63 LYS CB C 63 31.677 31.677 33.806 -2.129 25067 10208 1 17 . 1 1 63 63 LYS H H 63 8.028 8.028 8.295 -0.267 25067 10209 1 17 . 1 1 64 64 GLY C C 64 174.039 174.039 174.604 -0.565 25067 10210 1 17 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.932 -0.069 25067 10211 1 17 . 1 1 65 65 LEU N N 65 119.849 119.849 121.206 -1.357 25067 10212 1 17 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.282 0.342 25067 10213 1 17 . 1 1 65 65 LEU C C 65 177.493 177.493 176.424 1.069 25067 10214 1 17 . 1 1 65 65 LEU CA C 65 54.128 54.128 55.841 -1.713 25067 10215 1 17 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.448 1.238 25067 10216 1 17 . 1 1 65 65 LEU H H 65 7.836 7.836 8.345 -0.509 25067 10217 1 17 . 1 1 66 66 ASP N N 66 123.296 123.296 113.574 9.722 25067 10218 1 17 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.653 0.019 25067 10219 1 17 . 1 1 66 66 ASP C C 66 175.471 175.471 175.198 0.273 25067 10220 1 17 . 1 1 66 66 ASP CA C 66 52.820 52.820 53.849 -1.029 25067 10221 1 17 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.356 -1.339 25067 10222 1 17 . 1 1 66 66 ASP H H 66 8.226 8.226 7.667 0.559 25067 10223 1 17 . 1 1 67 67 ASP N N 67 118.859 118.859 122.002 -3.143 25067 10224 1 17 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.320 -0.077 25067 10225 1 17 . 1 1 67 67 ASP C C 67 178.121 178.121 177.577 0.544 25067 10226 1 17 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.378 1.095 25067 10227 1 17 . 1 1 67 67 ASP CB C 67 41.067 41.067 40.956 0.111 25067 10228 1 17 . 1 1 67 67 ASP H H 67 8.529 8.529 8.701 -0.172 25067 10229 1 17 . 1 1 68 68 ASP N N 68 119.187 119.187 119.628 -0.441 25067 10230 1 17 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.522 -0.182 25067 10231 1 17 . 1 1 68 68 ASP C C 68 177.807 177.807 177.655 0.152 25067 10232 1 17 . 1 1 68 68 ASP CA C 68 57.481 57.481 56.687 0.794 25067 10233 1 17 . 1 1 68 68 ASP CB C 68 41.459 41.459 41.224 0.235 25067 10234 1 17 . 1 1 68 68 ASP H H 68 8.244 8.244 8.275 -0.031 25067 10235 1 17 . 1 1 69 69 ALA N N 69 122.537 122.537 122.250 0.287 25067 10236 1 17 . 1 1 69 69 ALA HA H 69 3.628 3.628 3.992 -0.364 25067 10237 1 17 . 1 1 69 69 ALA C C 69 179.452 179.452 179.345 0.107 25067 10238 1 17 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.808 0.208 25067 10239 1 17 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.422 0.741 25067 10240 1 17 . 1 1 69 69 ALA H H 69 8.191 8.191 7.710 0.480 25067 10241 1 17 . 1 1 70 70 ARG N N 70 115.799 115.799 118.722 -2.923 25067 10242 1 17 . 1 1 70 70 ARG HA H 70 3.723 3.723 4.093 -0.370 25067 10243 1 17 . 1 1 70 70 ARG C C 70 178.183 178.183 178.187 -0.004 25067 10244 1 17 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.300 1.048 25067 10245 1 17 . 1 1 70 70 ARG CB C 70 30.612 30.612 29.947 0.665 25067 10246 1 17 . 1 1 70 70 ARG H H 70 8.419 8.419 8.092 0.327 25067 10247 1 17 . 1 1 71 71 LYS N N 71 118.170 118.170 118.876 -0.706 25067 10248 1 17 . 1 1 71 71 LYS HA H 71 3.837 3.837 4.046 -0.209 25067 10249 1 17 . 1 1 71 71 LYS C C 71 179.891 179.891 178.809 1.082 25067 10250 1 17 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.353 0.297 25067 10251 1 17 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.106 0.313 25067 10252 1 17 . 1 1 71 71 LYS H H 71 7.781 7.781 7.722 0.059 25067 10253 1 17 . 1 1 72 72 LYS N N 72 119.730 119.730 118.940 0.790 25067 10254 1 17 . 1 1 72 72 LYS HA H 72 3.736 3.736 3.929 -0.193 25067 10255 1 17 . 1 1 72 72 LYS C C 72 178.874 178.874 178.494 0.380 25067 10256 1 17 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.122 1.451 25067 10257 1 17 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.316 1.077 25067 10258 1 17 . 1 1 72 72 LYS H H 72 7.835 7.835 7.745 0.090 25067 10259 1 17 . 1 1 73 73 ALA N N 73 123.068 123.068 121.229 1.839 25067 10260 1 17 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.540 0.215 25067 10261 1 17 . 1 1 73 73 ALA C C 73 178.246 178.246 179.043 -0.797 25067 10262 1 17 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.647 0.703 25067 10263 1 17 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.550 0.096 25067 10264 1 17 . 1 1 73 73 ALA H H 73 8.343 8.343 7.593 0.750 25067 10265 1 17 . 1 1 74 74 LYS N N 74 117.936 117.936 118.624 -0.688 25067 10266 1 17 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.214 0.430 25067 10267 1 17 . 1 1 74 74 LYS C C 74 177.694 177.694 178.357 -0.663 25067 10268 1 17 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.272 1.049 25067 10269 1 17 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.150 0.525 25067 10270 1 17 . 1 1 74 74 LYS H H 74 7.934 7.934 7.515 0.419 25067 10271 1 17 . 1 1 75 75 LYS N N 75 116.863 116.863 118.565 -1.702 25067 10272 1 17 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.026 -0.047 25067 10273 1 17 . 1 1 75 75 LYS C C 75 178.884 178.884 178.471 0.413 25067 10274 1 17 . 1 1 75 75 LYS CA C 75 59.409 59.409 58.935 0.474 25067 10275 1 17 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.396 0.101 25067 10276 1 17 . 1 1 75 75 LYS H H 75 7.371 7.371 7.403 -0.032 25067 10277 1 17 . 1 1 76 76 TRP N N 76 121.108 121.108 121.125 -0.017 25067 10278 1 17 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.018 0.179 25067 10279 1 17 . 1 1 76 76 TRP C C 76 177.618 177.618 177.686 -0.068 25067 10280 1 17 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.612 0.114 25067 10281 1 17 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.202 0.791 25067 10282 1 17 . 1 1 76 76 TRP H H 76 8.156 8.156 8.007 0.149 25067 10283 1 17 . 1 1 77 77 ALA N N 77 120.099 120.099 119.789 0.310 25067 10284 1 17 . 1 1 77 77 ALA HA H 77 4.099 4.099 4.025 0.074 25067 10285 1 17 . 1 1 77 77 ALA C C 77 179.125 179.125 179.979 -0.854 25067 10286 1 17 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.955 0.694 25067 10287 1 17 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.258 0.061 25067 10288 1 17 . 1 1 77 77 ALA H H 77 8.883 8.883 7.630 1.253 25067 10289 1 17 . 1 1 78 78 LEU N N 78 116.584 116.584 118.657 -2.073 25067 10290 1 17 . 1 1 78 78 LEU HA H 78 4.131 4.131 4.029 0.102 25067 10291 1 17 . 1 1 78 78 LEU C C 78 179.828 179.828 179.341 0.487 25067 10292 1 17 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.674 0.169 25067 10293 1 17 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.692 0.006 25067 10294 1 17 . 1 1 78 78 LEU H H 78 8.238 8.238 7.614 0.624 25067 10295 1 17 . 1 1 79 79 GLU N N 79 121.435 121.435 119.320 2.115 25067 10296 1 17 . 1 1 79 79 GLU HA H 79 4.103 4.103 4.055 0.048 25067 10297 1 17 . 1 1 79 79 GLU C C 79 180.004 180.004 179.228 0.776 25067 10298 1 17 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.169 0.201 25067 10299 1 17 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.177 -0.055 25067 10300 1 17 . 1 1 79 79 GLU H H 79 8.296 8.296 7.953 0.343 25067 10301 1 17 . 1 1 80 80 VAL N N 80 122.863 122.863 120.417 2.446 25067 10302 1 17 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.431 -0.076 25067 10303 1 17 . 1 1 80 80 VAL C C 80 177.044 177.044 177.516 -0.472 25067 10304 1 17 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.612 -0.143 25067 10305 1 17 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.951 -0.253 25067 10306 1 17 . 1 1 80 80 VAL H H 80 8.603 8.603 8.100 0.503 25067 10307 1 17 . 1 1 81 81 ALA N N 81 122.490 122.490 121.316 1.174 25067 10308 1 17 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.889 -0.156 25067 10309 1 17 . 1 1 81 81 ALA C C 81 178.529 178.529 179.401 -0.872 25067 10310 1 17 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.347 0.298 25067 10311 1 17 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.331 0.084 25067 10312 1 17 . 1 1 81 81 ALA H H 81 7.684 7.684 7.534 0.150 25067 10313 1 17 . 1 1 82 82 ASN N N 82 114.569 114.569 116.259 -1.690 25067 10314 1 17 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.459 -0.081 25067 10315 1 17 . 1 1 82 82 ASN C C 82 177.505 177.505 177.644 -0.139 25067 10316 1 17 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.708 0.495 25067 10317 1 17 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.045 0.789 25067 10318 1 17 . 1 1 82 82 ASN H H 82 7.752 7.752 7.936 -0.184 25067 10319 1 17 . 1 1 83 83 LYS N N 83 121.384 121.384 120.346 1.038 25067 10320 1 17 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.019 0.075 25067 10321 1 17 . 1 1 83 83 LYS C C 83 179.037 179.037 178.806 0.231 25067 10322 1 17 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.942 0.133 25067 10323 1 17 . 1 1 83 83 LYS CB C 83 32.148 32.148 32.011 0.137 25067 10324 1 17 . 1 1 83 83 LYS H H 83 8.343 8.343 7.910 0.433 25067 10325 1 17 . 1 1 84 84 ILE N N 84 120.298 120.298 118.371 1.927 25067 10326 1 17 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.721 -0.236 25067 10327 1 17 . 1 1 84 84 ILE C C 84 177.063 177.063 177.785 -0.722 25067 10328 1 17 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.029 1.159 25067 10329 1 17 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.504 0.884 25067 10330 1 17 . 1 1 84 84 ILE H H 84 8.496 8.496 7.563 0.933 25067 10331 1 17 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.958 -0.142 25067 10332 1 17 . 1 1 85 85 ALA C C 85 179.891 179.891 179.704 0.187 25067 10333 1 17 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.176 0.615 25067 10334 1 17 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.328 -0.280 25067 10335 1 17 . 1 1 85 85 ALA H H 85 7.768 7.768 7.768 0.000 25067 10336 1 17 . 1 1 86 86 ASN N N 86 116.155 116.155 115.738 0.417 25067 10337 1 17 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.510 0.025 25067 10338 1 17 . 1 1 86 86 ASN C C 86 178.423 178.423 177.172 1.251 25067 10339 1 17 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.648 0.458 25067 10340 1 17 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.586 0.198 25067 10341 1 17 . 1 1 86 86 ASN H H 86 8.355 8.355 8.018 0.337 25067 10342 1 17 . 1 1 87 87 GLU N N 87 120.806 120.806 119.121 1.685 25067 10343 1 17 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.121 0.055 25067 10344 1 17 . 1 1 87 87 GLU C C 87 178.381 178.381 178.153 0.228 25067 10345 1 17 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.105 0.804 25067 10346 1 17 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.732 -0.080 25067 10347 1 17 . 1 1 87 87 GLU H H 87 8.431 8.431 7.875 0.556 25067 10348 1 17 . 1 1 88 88 LEU N N 88 115.825 115.825 116.002 -0.177 25067 10349 1 17 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.470 -0.114 25067 10350 1 17 . 1 1 88 88 LEU C C 88 177.442 177.442 177.746 -0.304 25067 10351 1 17 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.223 -0.646 25067 10352 1 17 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.767 0.733 25067 10353 1 17 . 1 1 88 88 LEU H H 88 7.547 7.547 7.956 -0.409 25067 10354 1 17 . 1 1 89 89 GLY N N 89 109.579 109.579 106.669 2.910 25067 10355 1 17 . 1 1 89 89 GLY C C 89 174.321 174.321 174.157 0.164 25067 10356 1 17 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.516 0.992 25067 10357 1 17 . 1 1 89 89 GLY H H 89 7.934 7.934 7.972 -0.038 25067 10358 1 17 . 1 1 90 90 ALA N N 90 120.990 120.990 121.651 -0.661 25067 10359 1 17 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.302 0.347 25067 10360 1 17 . 1 1 90 90 ALA C C 90 177.053 177.053 176.281 0.772 25067 10361 1 17 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.077 -2.003 25067 10362 1 17 . 1 1 90 90 ALA CB C 90 21.819 21.819 20.379 1.440 25067 10363 1 17 . 1 1 90 90 ALA H H 90 8.017 8.017 7.586 0.431 25067 10364 1 17 . 1 1 91 91 LYS N N 91 120.615 120.615 116.847 3.768 25067 10365 1 17 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.608 -0.192 25067 10366 1 17 . 1 1 91 91 LYS C C 91 175.765 175.765 174.905 0.860 25067 10367 1 17 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.223 0.956 25067 10368 1 17 . 1 1 91 91 LYS CB C 91 32.742 32.742 34.959 -2.217 25067 10369 1 17 . 1 1 91 91 LYS H H 91 8.366 8.366 8.045 0.321 25067 10370 1 17 . 1 1 92 92 GLN N N 92 119.273 119.273 118.315 0.958 25067 10371 1 17 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.474 0.687 25067 10372 1 17 . 1 1 92 92 GLN C C 92 175.136 175.136 174.905 0.231 25067 10373 1 17 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.255 -1.145 25067 10374 1 17 . 1 1 92 92 GLN CB C 92 30.681 30.681 30.430 0.251 25067 10375 1 17 . 1 1 92 92 GLN H H 92 8.495 8.495 8.403 0.092 25067 10376 1 17 . 1 1 93 93 SER N N 93 117.003 117.003 112.538 4.465 25067 10377 1 17 . 1 1 93 93 SER HA H 93 4.781 4.781 4.756 0.025 25067 10378 1 17 . 1 1 93 93 SER C C 93 173.735 173.735 173.581 0.154 25067 10379 1 17 . 1 1 93 93 SER CA C 93 57.819 57.819 57.137 0.682 25067 10380 1 17 . 1 1 93 93 SER CB C 93 64.648 64.648 65.007 -0.359 25067 10381 1 17 . 1 1 93 93 SER H H 93 8.441 8.441 8.159 0.282 25067 10382 1 17 . 1 1 94 94 THR HA H 94 4.781 4.781 4.642 0.139 25067 10383 1 17 . 1 1 94 94 THR CA C 94 61.111 61.111 60.941 0.170 25067 10384 1 17 . 1 1 94 94 THR CB C 94 71.032 71.032 68.980 2.052 25067 10385 1 17 . 1 1 95 95 THR N N 95 119.923 119.923 121.055 -1.132 25067 10386 1 17 . 1 1 95 95 THR HA H 95 5.098 5.098 5.263 -0.165 25067 10387 1 17 . 1 1 95 95 THR CA C 95 60.438 60.438 59.980 0.458 25067 10388 1 17 . 1 1 95 95 THR CB C 95 70.780 70.780 70.719 0.061 25067 10389 1 17 . 1 1 95 95 THR H H 95 8.762 8.762 8.459 0.303 25067 10390 1 17 . 1 1 96 96 THR HA H 96 4.367 4.367 4.287 0.080 25067 10391 1 17 . 1 1 96 96 THR CA C 96 61.740 61.740 62.502 -0.762 25067 10392 1 17 . 1 1 96 96 THR CB C 96 70.992 70.992 69.392 1.600 25067 10393 1 17 . 1 1 97 97 THR N N 97 120.315 120.315 119.469 0.846 25067 10394 1 17 . 1 1 97 97 THR HA H 97 5.363 5.363 3.559 1.804 25067 10395 1 17 . 1 1 97 97 THR CA C 97 61.379 61.379 60.345 1.034 25067 10396 1 17 . 1 1 97 97 THR CB C 97 71.216 71.216 69.769 1.447 25067 10397 1 17 . 1 1 97 97 THR H H 97 8.999 8.999 8.261 0.738 25067 10398 1 17 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.505 0.687 25067 10399 1 17 . 1 1 98 98 ASP C C 98 175.672 175.672 176.450 -0.778 25067 10400 1 17 . 1 1 98 98 ASP CA C 98 52.593 52.593 56.739 -4.146 25067 10401 1 17 . 1 1 98 98 ASP CB C 98 41.735 41.735 40.283 1.452 25067 10402 1 17 . 1 1 99 99 GLY N N 99 111.919 111.919 106.725 5.194 25067 10403 1 17 . 1 1 99 99 GLY C C 99 174.049 174.049 175.361 -1.312 25067 10404 1 17 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.755 -1.729 25067 10405 1 17 . 1 1 99 99 GLY H H 99 7.817 7.817 7.844 -0.027 25067 10406 1 17 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.691 -0.137 25067 10407 1 17 . 1 1 100 100 ASP C C 100 177.518 177.518 175.345 2.173 25067 10408 1 17 . 1 1 100 100 ASP CA C 100 57.488 57.488 55.226 2.262 25067 10409 1 17 . 1 1 100 100 ASP CB C 100 41.637 41.637 42.056 -0.418 25067 10410 1 17 . 1 1 101 101 THR N N 101 112.835 112.835 110.781 2.054 25067 10411 1 17 . 1 1 101 101 THR HA H 101 4.613 4.613 4.717 -0.104 25067 10412 1 17 . 1 1 101 101 THR C C 101 173.003 173.003 173.491 -0.488 25067 10413 1 17 . 1 1 101 101 THR CA C 101 60.857 60.857 60.538 0.319 25067 10414 1 17 . 1 1 101 101 THR CB C 101 70.589 70.589 70.664 -0.075 25067 10415 1 17 . 1 1 101 101 THR H H 101 7.819 7.819 7.661 0.158 25067 10416 1 17 . 1 1 102 102 PHE N N 102 126.633 126.633 127.251 -0.618 25067 10417 1 17 . 1 1 102 102 PHE HA H 102 4.891 4.891 5.028 -0.137 25067 10418 1 17 . 1 1 102 102 PHE C C 102 173.286 173.286 173.964 -0.678 25067 10419 1 17 . 1 1 102 102 PHE CA C 102 57.173 57.173 58.019 -0.846 25067 10420 1 17 . 1 1 102 102 PHE CB C 102 40.719 40.719 39.986 0.733 25067 10421 1 17 . 1 1 102 102 PHE H H 102 8.581 8.581 8.810 -0.229 25067 10422 1 17 . 1 1 103 103 GLU N N 103 125.528 125.528 129.482 -3.954 25067 10423 1 17 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.235 0.002 25067 10424 1 17 . 1 1 103 103 GLU C C 103 173.851 173.851 174.636 -0.785 25067 10425 1 17 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.571 -0.511 25067 10426 1 17 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.185 1.133 25067 10427 1 17 . 1 1 103 103 GLU H H 103 7.986 7.986 8.936 -0.950 25067 10428 1 17 . 1 1 104 104 VAL N N 104 124.582 124.582 127.953 -3.371 25067 10429 1 17 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.599 0.045 25067 10430 1 17 . 1 1 104 104 VAL C C 104 173.763 173.763 174.661 -0.898 25067 10431 1 17 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.590 -1.627 25067 10432 1 17 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.350 1.020 25067 10433 1 17 . 1 1 104 104 VAL H H 104 9.245 9.245 8.630 0.615 25067 10434 1 17 . 1 1 105 105 GLU N N 105 127.755 127.755 128.061 -0.306 25067 10435 1 17 . 1 1 105 105 GLU HA H 105 5.252 5.252 5.028 0.224 25067 10436 1 17 . 1 1 105 105 GLU C C 105 174.572 174.572 175.550 -0.978 25067 10437 1 17 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.755 -0.396 25067 10438 1 17 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.646 1.172 25067 10439 1 17 . 1 1 105 105 GLU H H 105 9.040 9.040 8.812 0.228 25067 10440 1 17 . 1 1 106 106 VAL N N 106 127.452 127.452 125.630 1.822 25067 10441 1 17 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.200 0.568 25067 10442 1 17 . 1 1 106 106 VAL C C 106 174.692 174.692 174.976 -0.284 25067 10443 1 17 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.647 -1.224 25067 10444 1 17 . 1 1 106 106 VAL CB C 106 34.142 34.142 32.322 1.820 25067 10445 1 17 . 1 1 106 106 VAL H H 106 9.315 9.315 8.624 0.691 25067 10446 1 17 . 1 1 107 107 ILE N N 107 127.006 127.006 129.027 -2.021 25067 10447 1 17 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.169 0.448 25067 10448 1 17 . 1 1 107 107 ILE C C 107 176.187 176.187 175.032 1.155 25067 10449 1 17 . 1 1 107 107 ILE CA C 107 60.406 60.406 59.467 0.939 25067 10450 1 17 . 1 1 107 107 ILE CB C 107 38.521 38.521 35.890 2.631 25067 10451 1 17 . 1 1 107 107 ILE H H 107 8.814 8.814 8.078 0.736 25067 10452 1 17 . 1 1 108 108 LEU N N 108 128.313 128.313 129.582 -1.269 25067 10453 1 17 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.583 0.174 25067 10454 1 17 . 1 1 108 108 LEU C C 108 176.058 176.058 175.661 0.397 25067 10455 1 17 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.837 0.287 25067 10456 1 17 . 1 1 108 108 LEU CB C 108 43.074 43.074 42.550 0.524 25067 10457 1 17 . 1 1 108 108 LEU H H 108 8.652 8.652 7.955 0.697 25067 10458 1 17 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.510 0.022 25067 10459 1 17 . 1 1 109 109 GLU C C 109 175.408 175.408 175.621 -0.213 25067 10460 1 17 . 1 1 109 109 GLU CA C 109 55.361 55.361 56.065 -0.704 25067 10461 1 17 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.760 0.887 25067 10462 1 17 . 1 1 110 110 LEU N N 110 125.467 125.467 126.597 -1.130 25067 10463 1 17 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.634 -0.233 25067 10464 1 17 . 1 1 110 110 LEU C C 110 176.854 176.854 177.162 -0.308 25067 10465 1 17 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.533 0.436 25067 10466 1 17 . 1 1 110 110 LEU CB C 110 42.515 42.515 41.396 1.119 25067 10467 1 17 . 1 1 110 110 LEU H H 110 8.402 8.402 8.545 -0.143 25067 10468 1 17 . 1 1 111 111 GLU N N 111 121.575 121.575 119.235 2.340 25067 10469 1 17 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.021 0.240 25067 10470 1 17 . 1 1 111 111 GLU CA C 111 56.521 56.521 58.154 -1.633 25067 10471 1 17 . 1 1 111 111 GLU CB C 111 30.291 30.291 29.630 0.661 25067 10472 1 17 . 1 1 111 111 GLU H H 111 8.607 8.607 8.203 0.404 25067 10473 1 18 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.365 -0.245 25067 10474 1 18 . 1 1 2 2 ALA CA C 2 52.161 52.161 51.864 0.297 25067 10475 1 18 . 1 1 2 2 ALA CB C 2 19.392 19.392 18.724 0.668 25067 10476 1 18 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.259 0.119 25067 10477 1 18 . 1 1 4 4 LYS C C 4 176.563 176.563 176.773 -0.210 25067 10478 1 18 . 1 1 4 4 LYS CA C 4 56.384 56.384 56.731 -0.347 25067 10479 1 18 . 1 1 4 4 LYS CB C 4 33.156 33.156 33.580 -0.424 25067 10480 1 18 . 1 1 5 5 GLU N N 5 122.511 122.511 120.813 1.698 25067 10481 1 18 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.316 0.061 25067 10482 1 18 . 1 1 5 5 GLU C C 5 176.099 176.099 175.848 0.251 25067 10483 1 18 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.061 0.323 25067 10484 1 18 . 1 1 5 5 GLU CB C 5 29.803 29.803 28.384 1.419 25067 10485 1 18 . 1 1 5 5 GLU H H 5 8.601 8.601 8.778 -0.177 25067 10486 1 18 . 1 1 6 6 LEU N N 6 124.063 124.063 122.828 1.235 25067 10487 1 18 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.409 -0.010 25067 10488 1 18 . 1 1 6 6 LEU C C 6 175.082 175.082 175.969 -0.887 25067 10489 1 18 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.267 0.458 25067 10490 1 18 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.732 0.481 25067 10491 1 18 . 1 1 6 6 LEU H H 6 8.409 8.409 7.827 0.582 25067 10492 1 18 . 1 1 7 7 ARG N N 7 122.244 122.244 125.960 -3.716 25067 10493 1 18 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.353 0.092 25067 10494 1 18 . 1 1 7 7 ARG C C 7 174.768 174.768 175.010 -0.242 25067 10495 1 18 . 1 1 7 7 ARG CA C 7 54.690 54.690 56.152 -1.462 25067 10496 1 18 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.337 1.753 25067 10497 1 18 . 1 1 7 7 ARG H H 7 8.016 8.016 8.410 -0.394 25067 10498 1 18 . 1 1 8 8 VAL N N 8 123.767 123.767 128.120 -4.353 25067 10499 1 18 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.591 -0.299 25067 10500 1 18 . 1 1 8 8 VAL C C 8 173.562 173.562 174.465 -0.903 25067 10501 1 18 . 1 1 8 8 VAL CA C 8 60.842 60.842 61.538 -0.696 25067 10502 1 18 . 1 1 8 8 VAL CB C 8 34.184 34.184 32.601 1.583 25067 10503 1 18 . 1 1 8 8 VAL H H 8 8.659 8.659 8.353 0.306 25067 10504 1 18 . 1 1 9 9 GLU N N 9 127.779 127.779 128.803 -1.024 25067 10505 1 18 . 1 1 9 9 GLU HA H 9 4.890 4.890 5.326 -0.436 25067 10506 1 18 . 1 1 9 9 GLU C C 9 175.446 175.446 175.824 -0.378 25067 10507 1 18 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.581 0.902 25067 10508 1 18 . 1 1 9 9 GLU CB C 9 30.750 30.750 31.102 -0.352 25067 10509 1 18 . 1 1 9 9 GLU H H 9 8.513 8.513 8.475 0.038 25067 10510 1 18 . 1 1 10 10 ILE N N 10 127.770 127.770 126.116 1.654 25067 10511 1 18 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.341 0.559 25067 10512 1 18 . 1 1 10 10 ILE C C 10 174.981 174.981 175.254 -0.273 25067 10513 1 18 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.188 -0.764 25067 10514 1 18 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.288 1.357 25067 10515 1 18 . 1 1 10 10 ILE H H 10 9.199 9.199 8.311 0.888 25067 10516 1 18 . 1 1 11 11 LYS N N 11 125.866 125.866 129.765 -3.899 25067 10517 1 18 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.533 0.905 25067 10518 1 18 . 1 1 11 11 LYS C C 11 175.835 175.835 174.938 0.897 25067 10519 1 18 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.449 0.368 25067 10520 1 18 . 1 1 11 11 LYS CB C 11 35.060 35.060 33.316 1.744 25067 10521 1 18 . 1 1 11 11 LYS H H 11 9.257 9.257 8.829 0.428 25067 10522 1 18 . 1 1 12 12 ILE N N 12 121.799 121.799 127.807 -6.008 25067 10523 1 18 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.355 0.944 25067 10524 1 18 . 1 1 12 12 ILE C C 12 175.132 175.132 174.332 0.800 25067 10525 1 18 . 1 1 12 12 ILE CA C 12 59.134 59.134 59.004 0.130 25067 10526 1 18 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.217 2.449 25067 10527 1 18 . 1 1 12 12 ILE H H 12 9.075 9.075 8.727 0.348 25067 10528 1 18 . 1 1 13 13 ASP N N 13 129.263 129.263 128.691 0.572 25067 10529 1 18 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.934 0.275 25067 10530 1 18 . 1 1 13 13 ASP C C 13 175.898 175.898 174.128 1.770 25067 10531 1 18 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.347 -0.616 25067 10532 1 18 . 1 1 13 13 ASP CB C 13 43.750 43.750 42.039 1.711 25067 10533 1 18 . 1 1 13 13 ASP H H 13 9.415 9.415 8.565 0.850 25067 10534 1 18 . 1 1 14 14 CYS N N 14 122.767 122.767 123.249 -0.482 25067 10535 1 18 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.784 0.148 25067 10536 1 18 . 1 1 14 14 CYS C C 14 174.228 174.228 173.046 1.182 25067 10537 1 18 . 1 1 14 14 CYS CA C 14 58.269 58.269 57.208 1.061 25067 10538 1 18 . 1 1 14 14 CYS CB C 14 28.447 28.447 29.979 -1.532 25067 10539 1 18 . 1 1 14 14 CYS H H 14 9.274 9.274 8.529 0.745 25067 10540 1 18 . 1 1 15 15 GLY N N 15 110.606 110.606 109.688 0.918 25067 10541 1 18 . 1 1 15 15 GLY C C 15 173.986 173.986 173.174 0.812 25067 10542 1 18 . 1 1 15 15 GLY CA C 15 45.892 45.892 44.768 1.124 25067 10543 1 18 . 1 1 15 15 GLY H H 15 8.919 8.919 8.636 0.283 25067 10544 1 18 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.764 0.032 25067 10545 1 18 . 1 1 16 16 ASN C C 16 175.157 175.157 175.092 0.065 25067 10546 1 18 . 1 1 16 16 ASN CA C 16 53.181 53.181 52.787 0.394 25067 10547 1 18 . 1 1 16 16 ASN CB C 16 38.955 38.955 39.568 -0.613 25067 10548 1 18 . 1 1 17 17 ASP N N 17 118.767 118.767 118.124 0.643 25067 10549 1 18 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.420 0.169 25067 10550 1 18 . 1 1 17 17 ASP C C 17 175.493 175.493 175.893 -0.400 25067 10551 1 18 . 1 1 17 17 ASP CA C 17 54.533 54.533 55.264 -0.730 25067 10552 1 18 . 1 1 17 17 ASP CB C 17 40.992 40.992 40.219 0.773 25067 10553 1 18 . 1 1 17 17 ASP H H 17 8.409 8.409 8.113 0.296 25067 10554 1 18 . 1 1 18 18 ASP N N 18 119.912 119.912 118.176 1.736 25067 10555 1 18 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.406 0.200 25067 10556 1 18 . 1 1 18 18 ASP C C 18 175.870 175.870 176.533 -0.663 25067 10557 1 18 . 1 1 18 18 ASP CA C 18 54.242 54.242 55.163 -0.921 25067 10558 1 18 . 1 1 18 18 ASP CB C 18 41.116 41.116 40.959 0.157 25067 10559 1 18 . 1 1 18 18 ASP H H 18 8.291 8.291 8.295 -0.004 25067 10560 1 18 . 1 1 19 19 LYS N N 19 120.828 120.828 116.839 3.989 25067 10561 1 18 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.025 0.414 25067 10562 1 18 . 1 1 19 19 LYS C C 19 176.121 176.121 175.035 1.086 25067 10563 1 18 . 1 1 19 19 LYS CA C 19 55.646 55.646 56.552 -0.906 25067 10564 1 18 . 1 1 19 19 LYS CB C 19 33.015 33.015 32.932 0.083 25067 10565 1 18 . 1 1 19 19 LYS H H 19 8.140 8.140 7.835 0.305 25067 10566 1 18 . 1 1 20 20 GLU N N 20 123.292 123.292 120.188 3.104 25067 10567 1 18 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.180 0.360 25067 10568 1 18 . 1 1 20 20 GLU C C 20 176.413 176.413 176.280 0.133 25067 10569 1 18 . 1 1 20 20 GLU CA C 20 56.518 56.518 57.129 -0.611 25067 10570 1 18 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.512 1.031 25067 10571 1 18 . 1 1 20 20 GLU H H 20 8.645 8.645 8.425 0.220 25067 10572 1 18 . 1 1 21 21 THR N N 21 119.747 119.747 119.438 0.309 25067 10573 1 18 . 1 1 21 21 THR HA H 21 4.517 4.517 4.587 -0.070 25067 10574 1 18 . 1 1 21 21 THR C C 21 173.148 173.148 173.211 -0.063 25067 10575 1 18 . 1 1 21 21 THR CA C 21 61.989 61.989 60.652 1.337 25067 10576 1 18 . 1 1 21 21 THR CB C 21 70.485 70.485 69.496 0.989 25067 10577 1 18 . 1 1 21 21 THR H H 21 8.589 8.589 8.331 0.258 25067 10578 1 18 . 1 1 22 22 THR N N 22 119.539 119.539 123.070 -3.531 25067 10579 1 18 . 1 1 22 22 THR HA H 22 5.342 5.342 5.050 0.292 25067 10580 1 18 . 1 1 22 22 THR C C 22 173.148 173.148 173.645 -0.497 25067 10581 1 18 . 1 1 22 22 THR CA C 22 60.977 60.977 61.377 -0.400 25067 10582 1 18 . 1 1 22 22 THR CB C 22 70.490 70.490 70.990 -0.500 25067 10583 1 18 . 1 1 22 22 THR H H 22 8.191 8.191 8.376 -0.185 25067 10584 1 18 . 1 1 23 23 TYR N N 23 123.279 123.279 125.162 -1.883 25067 10585 1 18 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.622 0.032 25067 10586 1 18 . 1 1 23 23 TYR C C 23 173.400 173.400 174.847 -1.447 25067 10587 1 18 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.250 -0.268 25067 10588 1 18 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.518 1.800 25067 10589 1 18 . 1 1 23 23 TYR H H 23 9.268 9.268 8.564 0.704 25067 10590 1 18 . 1 1 24 24 ASP N N 24 121.837 121.837 124.982 -3.145 25067 10591 1 18 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.005 -0.161 25067 10592 1 18 . 1 1 24 24 ASP C C 24 173.400 173.400 175.532 -2.132 25067 10593 1 18 . 1 1 24 24 ASP CA C 24 53.469 53.469 54.072 -0.603 25067 10594 1 18 . 1 1 24 24 ASP CB C 24 41.941 41.941 40.982 0.959 25067 10595 1 18 . 1 1 24 24 ASP H H 24 8.484 8.484 8.657 -0.173 25067 10596 1 18 . 1 1 25 25 LEU N N 25 126.268 126.268 120.027 6.241 25067 10597 1 18 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.839 -0.739 25067 10598 1 18 . 1 1 25 25 LEU C C 25 174.677 174.677 174.551 0.126 25067 10599 1 18 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.239 -0.505 25067 10600 1 18 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.847 -2.221 25067 10601 1 18 . 1 1 25 25 LEU H H 25 8.619 8.619 8.237 0.382 25067 10602 1 18 . 1 1 26 26 TYR N N 26 123.695 123.695 117.312 6.383 25067 10603 1 18 . 1 1 26 26 TYR HA H 26 4.635 4.635 5.361 -0.726 25067 10604 1 18 . 1 1 26 26 TYR C C 26 176.833 176.833 175.853 0.980 25067 10605 1 18 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.392 -0.110 25067 10606 1 18 . 1 1 26 26 TYR CB C 26 38.143 38.143 40.657 -2.514 25067 10607 1 18 . 1 1 26 26 TYR H H 26 8.465 8.465 8.402 0.063 25067 10608 1 18 . 1 1 27 27 PHE N N 27 119.951 119.951 126.503 -6.552 25067 10609 1 18 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.538 0.248 25067 10610 1 18 . 1 1 27 27 PHE C C 27 176.205 176.205 174.909 1.296 25067 10611 1 18 . 1 1 27 27 PHE CA C 27 60.136 60.136 57.676 2.460 25067 10612 1 18 . 1 1 27 27 PHE CB C 27 38.455 38.455 37.865 0.590 25067 10613 1 18 . 1 1 27 27 PHE H H 27 7.991 7.991 8.783 -0.792 25067 10614 1 18 . 1 1 28 28 SER N N 28 114.987 114.987 120.430 -5.443 25067 10615 1 18 . 1 1 28 28 SER HA H 28 4.455 4.455 4.460 -0.005 25067 10616 1 18 . 1 1 28 28 SER C C 28 174.517 174.517 173.529 0.988 25067 10617 1 18 . 1 1 28 28 SER CA C 28 59.489 59.489 59.571 -0.082 25067 10618 1 18 . 1 1 28 28 SER CB C 28 62.828 62.828 64.080 -1.252 25067 10619 1 18 . 1 1 28 28 SER H H 28 8.508 8.508 7.974 0.534 25067 10620 1 18 . 1 1 29 29 LYS N N 29 123.721 123.721 117.366 6.355 25067 10621 1 18 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.032 0.621 25067 10622 1 18 . 1 1 29 29 LYS C C 29 175.954 175.954 174.585 1.369 25067 10623 1 18 . 1 1 29 29 LYS CA C 29 54.695 54.695 55.202 -0.507 25067 10624 1 18 . 1 1 29 29 LYS CB C 29 31.548 31.548 34.392 -2.845 25067 10625 1 18 . 1 1 29 29 LYS H H 29 7.723 7.723 7.030 0.693 25067 10626 1 18 . 1 1 30 30 ALA HA H 30 4.072 4.072 3.995 0.077 25067 10627 1 18 . 1 1 30 30 ALA CA C 30 55.547 55.547 54.267 1.280 25067 10628 1 18 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.835 -0.064 25067 10629 1 18 . 1 1 31 31 GLU N N 31 117.703 117.703 118.805 -1.102 25067 10630 1 18 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.079 0.099 25067 10631 1 18 . 1 1 31 31 GLU C C 31 179.251 179.251 178.585 0.666 25067 10632 1 18 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.312 0.284 25067 10633 1 18 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.149 -0.550 25067 10634 1 18 . 1 1 31 31 GLU H H 31 9.034 9.034 8.768 0.266 25067 10635 1 18 . 1 1 32 32 GLU N N 32 121.084 121.084 119.019 2.065 25067 10636 1 18 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.006 0.179 25067 10637 1 18 . 1 1 32 32 GLU C C 32 179.251 179.251 178.532 0.719 25067 10638 1 18 . 1 1 32 32 GLU CA C 32 59.217 59.217 59.063 0.154 25067 10639 1 18 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.242 0.089 25067 10640 1 18 . 1 1 32 32 GLU H H 32 8.046 8.046 8.428 -0.382 25067 10641 1 18 . 1 1 33 33 ALA N N 33 122.906 122.906 121.608 1.298 25067 10642 1 18 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.915 0.175 25067 10643 1 18 . 1 1 33 33 ALA C C 33 180.244 180.244 179.899 0.345 25067 10644 1 18 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.295 0.223 25067 10645 1 18 . 1 1 33 33 ALA CB C 33 17.968 17.968 17.882 0.086 25067 10646 1 18 . 1 1 33 33 ALA H H 33 8.383 8.383 8.011 0.372 25067 10647 1 18 . 1 1 34 34 LYS N N 34 119.560 119.560 119.157 0.403 25067 10648 1 18 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.227 -0.037 25067 10649 1 18 . 1 1 34 34 LYS C C 34 179.198 179.198 178.376 0.822 25067 10650 1 18 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.359 0.122 25067 10651 1 18 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.203 0.249 25067 10652 1 18 . 1 1 34 34 LYS H H 34 7.885 7.885 7.946 -0.061 25067 10653 1 18 . 1 1 35 35 GLU N N 35 121.053 121.053 120.161 0.892 25067 10654 1 18 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.119 0.062 25067 10655 1 18 . 1 1 35 35 GLU C C 35 179.288 179.288 178.987 0.301 25067 10656 1 18 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.372 0.019 25067 10657 1 18 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.560 -0.216 25067 10658 1 18 . 1 1 35 35 GLU H H 35 8.042 8.042 7.638 0.404 25067 10659 1 18 . 1 1 36 36 LEU N N 36 121.053 121.053 120.163 0.890 25067 10660 1 18 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.141 0.096 25067 10661 1 18 . 1 1 36 36 LEU C C 36 177.982 177.982 179.519 -1.537 25067 10662 1 18 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.538 0.199 25067 10663 1 18 . 1 1 36 36 LEU CB C 36 41.941 41.941 40.886 1.055 25067 10664 1 18 . 1 1 36 36 LEU H H 36 8.434 8.434 8.036 0.398 25067 10665 1 18 . 1 1 37 37 LEU N N 37 120.035 120.035 120.999 -0.964 25067 10666 1 18 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.911 -0.295 25067 10667 1 18 . 1 1 37 37 LEU C C 37 178.070 178.070 178.289 -0.219 25067 10668 1 18 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.782 0.767 25067 10669 1 18 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.780 0.368 25067 10670 1 18 . 1 1 37 37 LEU H H 37 7.883 7.883 8.491 -0.608 25067 10671 1 18 . 1 1 38 38 LYS N N 38 116.604 116.604 118.883 -2.279 25067 10672 1 18 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.907 -0.111 25067 10673 1 18 . 1 1 38 38 LYS C C 38 178.246 178.246 178.891 -0.645 25067 10674 1 18 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.634 -0.119 25067 10675 1 18 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.276 0.319 25067 10676 1 18 . 1 1 38 38 LYS H H 38 7.102 7.102 7.651 -0.549 25067 10677 1 18 . 1 1 39 39 LYS N N 39 118.823 118.823 119.364 -0.541 25067 10678 1 18 . 1 1 39 39 LYS HA H 39 4.155 4.155 3.954 0.201 25067 10679 1 18 . 1 1 39 39 LYS C C 39 179.464 179.464 179.167 0.297 25067 10680 1 18 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.539 -0.413 25067 10681 1 18 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.498 0.196 25067 10682 1 18 . 1 1 39 39 LYS H H 39 7.752 7.752 7.799 -0.047 25067 10683 1 18 . 1 1 40 40 VAL N N 40 119.336 119.336 118.920 0.416 25067 10684 1 18 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.393 -0.040 25067 10685 1 18 . 1 1 40 40 VAL C C 40 178.612 178.612 177.666 0.946 25067 10686 1 18 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.006 0.330 25067 10687 1 18 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.356 -0.204 25067 10688 1 18 . 1 1 40 40 VAL H H 40 8.925 8.925 7.828 1.097 25067 10689 1 18 . 1 1 41 41 ALA N N 41 120.709 120.709 122.209 -1.500 25067 10690 1 18 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.948 -0.053 25067 10691 1 18 . 1 1 41 41 ALA C C 41 179.163 179.163 179.164 -0.001 25067 10692 1 18 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.395 -0.370 25067 10693 1 18 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.109 0.586 25067 10694 1 18 . 1 1 41 41 ALA H H 41 8.001 8.001 7.969 0.032 25067 10695 1 18 . 1 1 42 42 GLU N N 42 117.330 117.330 118.778 -1.448 25067 10696 1 18 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.027 -0.091 25067 10697 1 18 . 1 1 42 42 GLU C C 42 179.452 179.452 178.949 0.503 25067 10698 1 18 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.412 0.199 25067 10699 1 18 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.617 0.122 25067 10700 1 18 . 1 1 42 42 GLU H H 42 8.197 8.197 7.999 0.198 25067 10701 1 18 . 1 1 43 43 LYS N N 43 119.586 119.586 118.962 0.624 25067 10702 1 18 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.435 -0.237 25067 10703 1 18 . 1 1 43 43 LYS C C 43 179.595 179.595 179.031 0.564 25067 10704 1 18 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.820 0.949 25067 10705 1 18 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.767 0.304 25067 10706 1 18 . 1 1 43 43 LYS H H 43 8.119 8.119 7.738 0.381 25067 10707 1 18 . 1 1 44 44 ALA N N 44 121.948 121.948 121.832 0.116 25067 10708 1 18 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.101 0.165 25067 10709 1 18 . 1 1 44 44 ALA C C 44 178.937 178.937 179.385 -0.448 25067 10710 1 18 . 1 1 44 44 ALA CA C 44 54.990 54.990 55.144 -0.154 25067 10711 1 18 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.278 -0.477 25067 10712 1 18 . 1 1 44 44 ALA H H 44 8.396 8.396 8.172 0.224 25067 10713 1 18 . 1 1 45 45 ALA N N 45 118.814 118.814 120.155 -1.341 25067 10714 1 18 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.936 0.021 25067 10715 1 18 . 1 1 45 45 ALA C C 45 178.887 178.887 179.310 -0.423 25067 10716 1 18 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.787 0.781 25067 10717 1 18 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.189 -0.162 25067 10718 1 18 . 1 1 45 45 ALA H H 45 8.519 8.519 7.901 0.618 25067 10719 1 18 . 1 1 46 46 ASP N N 46 116.930 116.930 119.864 -2.934 25067 10720 1 18 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.353 0.046 25067 10721 1 18 . 1 1 46 46 ASP C C 46 178.020 178.020 178.753 -0.733 25067 10722 1 18 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.653 -0.013 25067 10723 1 18 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.500 1.336 25067 10724 1 18 . 1 1 46 46 ASP H H 46 7.852 7.852 7.952 -0.100 25067 10725 1 18 . 1 1 47 47 LYS N N 47 119.467 119.467 119.317 0.150 25067 10726 1 18 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.133 -0.040 25067 10727 1 18 . 1 1 47 47 LYS C C 47 178.924 178.924 179.111 -0.187 25067 10728 1 18 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.855 0.817 25067 10729 1 18 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.205 0.306 25067 10730 1 18 . 1 1 47 47 LYS H H 47 7.692 7.692 7.640 0.052 25067 10731 1 18 . 1 1 48 48 ILE N N 48 119.929 119.929 119.181 0.748 25067 10732 1 18 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.933 -0.193 25067 10733 1 18 . 1 1 48 48 ILE C C 48 179.025 179.025 177.676 1.349 25067 10734 1 18 . 1 1 48 48 ILE CA C 48 64.978 64.978 65.148 -0.171 25067 10735 1 18 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.827 0.465 25067 10736 1 18 . 1 1 48 48 ILE H H 48 8.585 8.585 7.682 0.903 25067 10737 1 18 . 1 1 49 49 LYS N N 49 119.534 119.534 119.702 -0.168 25067 10738 1 18 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.092 -0.075 25067 10739 1 18 . 1 1 49 49 LYS C C 49 179.025 179.025 178.269 0.756 25067 10740 1 18 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.941 0.706 25067 10741 1 18 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.694 -0.093 25067 10742 1 18 . 1 1 49 49 LYS H H 49 8.353 8.353 7.793 0.560 25067 10743 1 18 . 1 1 50 50 LYS N N 50 117.423 117.423 115.700 1.723 25067 10744 1 18 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.165 0.051 25067 10745 1 18 . 1 1 50 50 LYS C C 50 178.510 178.510 177.615 0.895 25067 10746 1 18 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.533 -0.036 25067 10747 1 18 . 1 1 50 50 LYS CB C 50 33.322 33.322 32.835 0.487 25067 10748 1 18 . 1 1 50 50 LYS H H 50 7.996 7.996 8.131 -0.135 25067 10749 1 18 . 1 1 51 51 GLN N N 51 115.137 115.137 117.005 -1.868 25067 10750 1 18 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.369 0.112 25067 10751 1 18 . 1 1 51 51 GLN C C 51 177.292 177.292 175.615 1.677 25067 10752 1 18 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.815 0.192 25067 10753 1 18 . 1 1 51 51 GLN CB C 51 29.940 29.940 32.369 -2.429 25067 10754 1 18 . 1 1 51 51 GLN H H 51 8.384 8.384 7.803 0.581 25067 10755 1 18 . 1 1 52 52 GLY N N 52 109.119 109.119 109.127 -0.008 25067 10756 1 18 . 1 1 52 52 GLY C C 52 174.391 174.391 173.915 0.476 25067 10757 1 18 . 1 1 52 52 GLY CA C 52 46.560 46.560 44.919 1.641 25067 10758 1 18 . 1 1 52 52 GLY H H 52 8.218 8.218 8.160 0.058 25067 10759 1 18 . 1 1 53 53 CYS N N 53 116.935 116.935 120.646 -3.711 25067 10760 1 18 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.594 -0.109 25067 10761 1 18 . 1 1 53 53 CYS C C 53 173.989 173.989 175.289 -1.300 25067 10762 1 18 . 1 1 53 53 CYS CA C 53 58.148 58.148 57.105 1.043 25067 10763 1 18 . 1 1 53 53 CYS CB C 53 28.714 28.714 25.731 2.983 25067 10764 1 18 . 1 1 53 53 CYS H H 53 7.623 7.623 8.711 -1.088 25067 10765 1 18 . 1 1 54 54 LYS N N 54 120.659 120.659 122.561 -1.902 25067 10766 1 18 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.148 0.352 25067 10767 1 18 . 1 1 54 54 LYS C C 54 174.793 174.793 176.535 -1.742 25067 10768 1 18 . 1 1 54 54 LYS CA C 54 56.326 56.326 58.637 -2.311 25067 10769 1 18 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.895 0.815 25067 10770 1 18 . 1 1 54 54 LYS H H 54 8.765 8.765 7.952 0.813 25067 10771 1 18 . 1 1 55 55 ARG N N 55 117.927 117.927 118.827 -0.900 25067 10772 1 18 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.975 0.468 25067 10773 1 18 . 1 1 55 55 ARG C C 55 174.517 174.517 175.424 -0.907 25067 10774 1 18 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.321 -0.732 25067 10775 1 18 . 1 1 55 55 ARG CB C 55 33.616 33.616 31.360 2.256 25067 10776 1 18 . 1 1 55 55 ARG H H 55 7.603 7.603 8.068 -0.465 25067 10777 1 18 . 1 1 56 56 VAL N N 56 122.079 122.079 126.780 -4.701 25067 10778 1 18 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.396 0.429 25067 10779 1 18 . 1 1 56 56 VAL C C 56 173.311 173.311 174.606 -1.295 25067 10780 1 18 . 1 1 56 56 VAL CA C 56 60.285 60.285 61.377 -1.092 25067 10781 1 18 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.707 0.223 25067 10782 1 18 . 1 1 56 56 VAL H H 56 8.853 8.853 8.968 -0.115 25067 10783 1 18 . 1 1 57 57 LYS N N 57 125.849 125.849 126.235 -0.386 25067 10784 1 18 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.714 0.890 25067 10785 1 18 . 1 1 57 57 LYS C C 57 174.881 174.881 174.993 -0.112 25067 10786 1 18 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.001 -0.263 25067 10787 1 18 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.371 1.564 25067 10788 1 18 . 1 1 57 57 LYS H H 57 8.819 8.819 8.649 0.170 25067 10789 1 18 . 1 1 58 58 ILE N N 58 125.213 125.213 125.265 -0.052 25067 10790 1 18 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.346 0.821 25067 10791 1 18 . 1 1 58 58 ILE C C 58 174.981 174.981 174.683 0.298 25067 10792 1 18 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.962 -0.366 25067 10793 1 18 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.706 2.152 25067 10794 1 18 . 1 1 58 58 ILE H H 58 9.204 9.204 8.324 0.880 25067 10795 1 18 . 1 1 59 59 ARG N N 59 124.047 124.047 127.177 -3.130 25067 10796 1 18 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.114 0.987 25067 10797 1 18 . 1 1 59 59 ARG C C 59 175.144 175.144 174.885 0.259 25067 10798 1 18 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.664 -0.573 25067 10799 1 18 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.628 2.407 25067 10800 1 18 . 1 1 59 59 ARG H H 59 9.467 9.467 8.379 1.088 25067 10801 1 18 . 1 1 60 60 PHE N N 60 113.223 113.223 123.535 -10.312 25067 10802 1 18 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.155 0.049 25067 10803 1 18 . 1 1 60 60 PHE C C 60 173.110 173.110 173.158 -0.048 25067 10804 1 18 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.859 0.072 25067 10805 1 18 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.854 -1.474 25067 10806 1 18 . 1 1 60 60 PHE H H 60 8.451 8.451 8.754 -0.303 25067 10807 1 18 . 1 1 61 61 GLU N N 61 121.333 121.333 125.468 -4.135 25067 10808 1 18 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.562 0.082 25067 10809 1 18 . 1 1 61 61 GLU C C 61 177.147 177.147 174.659 2.488 25067 10810 1 18 . 1 1 61 61 GLU CA C 61 55.965 55.965 54.827 1.138 25067 10811 1 18 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.682 0.016 25067 10812 1 18 . 1 1 61 61 GLU H H 61 9.572 9.572 7.876 1.696 25067 10813 1 18 . 1 1 62 62 LYS N N 62 121.311 121.311 124.989 -3.678 25067 10814 1 18 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.223 0.120 25067 10815 1 18 . 1 1 62 62 LYS C C 62 177.398 177.398 175.129 2.269 25067 10816 1 18 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.750 2.435 25067 10817 1 18 . 1 1 62 62 LYS CB C 62 32.937 32.937 32.212 0.725 25067 10818 1 18 . 1 1 62 62 LYS H H 62 8.160 8.160 7.918 0.242 25067 10819 1 18 . 1 1 63 63 LYS N N 63 120.742 120.742 125.217 -4.475 25067 10820 1 18 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.520 -0.402 25067 10821 1 18 . 1 1 63 63 LYS C C 63 177.015 177.015 177.455 -0.440 25067 10822 1 18 . 1 1 63 63 LYS CA C 63 58.693 58.693 57.052 1.641 25067 10823 1 18 . 1 1 63 63 LYS CB C 63 31.677 31.677 34.167 -2.490 25067 10824 1 18 . 1 1 63 63 LYS H H 63 8.028 8.028 8.143 -0.115 25067 10825 1 18 . 1 1 64 64 GLY C C 64 174.039 174.039 173.744 0.295 25067 10826 1 18 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.600 0.263 25067 10827 1 18 . 1 1 65 65 LEU N N 65 119.849 119.849 116.580 3.269 25067 10828 1 18 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.867 -0.243 25067 10829 1 18 . 1 1 65 65 LEU C C 65 177.493 177.493 175.413 2.080 25067 10830 1 18 . 1 1 65 65 LEU CA C 65 54.128 54.128 51.843 2.285 25067 10831 1 18 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.952 0.734 25067 10832 1 18 . 1 1 65 65 LEU H H 65 7.836 7.836 7.292 0.544 25067 10833 1 18 . 1 1 66 66 ASP N N 66 123.296 123.296 119.396 3.900 25067 10834 1 18 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.709 -0.037 25067 10835 1 18 . 1 1 66 66 ASP C C 66 175.471 175.471 176.390 -0.919 25067 10836 1 18 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.032 -1.212 25067 10837 1 18 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.026 -1.009 25067 10838 1 18 . 1 1 66 66 ASP H H 66 8.226 8.226 8.461 -0.235 25067 10839 1 18 . 1 1 67 67 ASP N N 67 118.859 118.859 120.426 -1.567 25067 10840 1 18 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.267 -0.024 25067 10841 1 18 . 1 1 67 67 ASP C C 67 178.121 178.121 178.140 -0.019 25067 10842 1 18 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.156 1.317 25067 10843 1 18 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.165 -0.098 25067 10844 1 18 . 1 1 67 67 ASP H H 67 8.529 8.529 8.535 -0.006 25067 10845 1 18 . 1 1 68 68 ASP N N 68 119.187 119.187 119.420 -0.233 25067 10846 1 18 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.424 -0.084 25067 10847 1 18 . 1 1 68 68 ASP C C 68 177.807 177.807 178.199 -0.392 25067 10848 1 18 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.404 0.077 25067 10849 1 18 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.590 0.869 25067 10850 1 18 . 1 1 68 68 ASP H H 68 8.244 8.244 8.389 -0.145 25067 10851 1 18 . 1 1 69 69 ALA N N 69 122.537 122.537 121.792 0.745 25067 10852 1 18 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.063 -0.435 25067 10853 1 18 . 1 1 69 69 ALA C C 69 179.452 179.452 179.607 -0.155 25067 10854 1 18 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.597 0.419 25067 10855 1 18 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.029 1.134 25067 10856 1 18 . 1 1 69 69 ALA H H 69 8.191 8.191 8.142 0.049 25067 10857 1 18 . 1 1 70 70 ARG N N 70 115.799 115.799 118.952 -3.153 25067 10858 1 18 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.986 -0.263 25067 10859 1 18 . 1 1 70 70 ARG C C 70 178.183 178.183 178.126 0.057 25067 10860 1 18 . 1 1 70 70 ARG CA C 70 60.348 60.348 58.630 1.718 25067 10861 1 18 . 1 1 70 70 ARG CB C 70 30.612 30.612 29.910 0.702 25067 10862 1 18 . 1 1 70 70 ARG H H 70 8.419 8.419 7.880 0.539 25067 10863 1 18 . 1 1 71 71 LYS N N 71 118.170 118.170 119.574 -1.404 25067 10864 1 18 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.968 -0.131 25067 10865 1 18 . 1 1 71 71 LYS C C 71 179.891 179.891 178.976 0.915 25067 10866 1 18 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.529 0.121 25067 10867 1 18 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.233 0.186 25067 10868 1 18 . 1 1 71 71 LYS H H 71 7.781 7.781 7.692 0.089 25067 10869 1 18 . 1 1 72 72 LYS N N 72 119.730 119.730 118.663 1.067 25067 10870 1 18 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.060 -0.324 25067 10871 1 18 . 1 1 72 72 LYS C C 72 178.874 178.874 178.868 0.006 25067 10872 1 18 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.792 0.781 25067 10873 1 18 . 1 1 72 72 LYS CB C 72 32.393 32.393 32.037 0.356 25067 10874 1 18 . 1 1 72 72 LYS H H 72 7.835 7.835 7.973 -0.138 25067 10875 1 18 . 1 1 73 73 ALA N N 73 123.068 123.068 120.895 2.173 25067 10876 1 18 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.846 -0.091 25067 10877 1 18 . 1 1 73 73 ALA C C 73 178.246 178.246 179.388 -1.142 25067 10878 1 18 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.581 0.769 25067 10879 1 18 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.423 0.223 25067 10880 1 18 . 1 1 73 73 ALA H H 73 8.343 8.343 7.608 0.735 25067 10881 1 18 . 1 1 74 74 LYS N N 74 117.936 117.936 119.282 -1.346 25067 10882 1 18 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.907 -0.263 25067 10883 1 18 . 1 1 74 74 LYS C C 74 177.694 177.694 178.624 -0.930 25067 10884 1 18 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.624 0.697 25067 10885 1 18 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.133 0.542 25067 10886 1 18 . 1 1 74 74 LYS H H 74 7.934 7.934 7.938 -0.004 25067 10887 1 18 . 1 1 75 75 LYS N N 75 116.863 116.863 119.392 -2.529 25067 10888 1 18 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.124 -0.145 25067 10889 1 18 . 1 1 75 75 LYS C C 75 178.884 178.884 178.510 0.374 25067 10890 1 18 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.254 0.155 25067 10891 1 18 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.350 0.147 25067 10892 1 18 . 1 1 75 75 LYS H H 75 7.371 7.371 7.438 -0.067 25067 10893 1 18 . 1 1 76 76 TRP N N 76 121.108 121.108 121.492 -0.384 25067 10894 1 18 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.203 -0.006 25067 10895 1 18 . 1 1 76 76 TRP C C 76 177.618 177.618 177.637 -0.019 25067 10896 1 18 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.556 0.170 25067 10897 1 18 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.427 0.566 25067 10898 1 18 . 1 1 76 76 TRP H H 76 8.156 8.156 8.216 -0.060 25067 10899 1 18 . 1 1 77 77 ALA N N 77 120.099 120.099 120.787 -0.688 25067 10900 1 18 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.764 0.335 25067 10901 1 18 . 1 1 77 77 ALA C C 77 179.125 179.125 179.611 -0.486 25067 10902 1 18 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.288 0.359 25067 10903 1 18 . 1 1 77 77 ALA CB C 77 18.319 18.319 17.923 0.396 25067 10904 1 18 . 1 1 77 77 ALA H H 77 8.883 8.883 8.252 0.631 25067 10905 1 18 . 1 1 78 78 LEU N N 78 116.584 116.584 117.845 -1.261 25067 10906 1 18 . 1 1 78 78 LEU HA H 78 4.131 4.131 4.091 0.040 25067 10907 1 18 . 1 1 78 78 LEU C C 78 179.828 179.828 179.228 0.600 25067 10908 1 18 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.148 0.695 25067 10909 1 18 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.609 0.089 25067 10910 1 18 . 1 1 78 78 LEU H H 78 8.238 8.238 7.330 0.908 25067 10911 1 18 . 1 1 79 79 GLU N N 79 121.435 121.435 119.674 1.761 25067 10912 1 18 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.952 0.151 25067 10913 1 18 . 1 1 79 79 GLU C C 79 180.004 180.004 179.268 0.736 25067 10914 1 18 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.206 0.164 25067 10915 1 18 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.087 0.035 25067 10916 1 18 . 1 1 79 79 GLU H H 79 8.296 8.296 7.988 0.308 25067 10917 1 18 . 1 1 80 80 VAL N N 80 122.863 122.863 119.533 3.330 25067 10918 1 18 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.346 0.009 25067 10919 1 18 . 1 1 80 80 VAL C C 80 177.044 177.044 177.865 -0.821 25067 10920 1 18 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.361 0.109 25067 10921 1 18 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.968 -0.271 25067 10922 1 18 . 1 1 80 80 VAL H H 80 8.603 8.603 8.013 0.590 25067 10923 1 18 . 1 1 81 81 ALA N N 81 122.490 122.490 121.250 1.240 25067 10924 1 18 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.834 -0.101 25067 10925 1 18 . 1 1 81 81 ALA C C 81 178.529 178.529 179.430 -0.901 25067 10926 1 18 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.344 0.301 25067 10927 1 18 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.223 0.193 25067 10928 1 18 . 1 1 81 81 ALA H H 81 7.684 7.684 7.566 0.118 25067 10929 1 18 . 1 1 82 82 ASN N N 82 114.569 114.569 115.437 -0.868 25067 10930 1 18 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.477 -0.099 25067 10931 1 18 . 1 1 82 82 ASN C C 82 177.505 177.505 177.611 -0.106 25067 10932 1 18 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.957 0.246 25067 10933 1 18 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.526 0.308 25067 10934 1 18 . 1 1 82 82 ASN H H 82 7.752 7.752 7.896 -0.144 25067 10935 1 18 . 1 1 83 83 LYS N N 83 121.384 121.384 120.828 0.556 25067 10936 1 18 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.095 -0.001 25067 10937 1 18 . 1 1 83 83 LYS C C 83 179.037 179.037 178.824 0.213 25067 10938 1 18 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.333 0.742 25067 10939 1 18 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.881 0.266 25067 10940 1 18 . 1 1 83 83 LYS H H 83 8.343 8.343 7.954 0.389 25067 10941 1 18 . 1 1 84 84 ILE N N 84 120.298 120.298 118.717 1.581 25067 10942 1 18 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.761 -0.276 25067 10943 1 18 . 1 1 84 84 ILE C C 84 177.063 177.063 178.047 -0.984 25067 10944 1 18 . 1 1 84 84 ILE CA C 84 66.188 66.188 64.866 1.322 25067 10945 1 18 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.903 0.485 25067 10946 1 18 . 1 1 84 84 ILE H H 84 8.496 8.496 7.833 0.663 25067 10947 1 18 . 1 1 85 85 ALA HA H 85 3.816 3.816 4.001 -0.185 25067 10948 1 18 . 1 1 85 85 ALA C C 85 179.891 179.891 179.489 0.402 25067 10949 1 18 . 1 1 85 85 ALA CA C 85 55.791 55.791 54.927 0.864 25067 10950 1 18 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.264 -0.216 25067 10951 1 18 . 1 1 85 85 ALA H H 85 7.768 7.768 7.760 0.008 25067 10952 1 18 . 1 1 86 86 ASN N N 86 116.155 116.155 117.137 -0.982 25067 10953 1 18 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.421 0.114 25067 10954 1 18 . 1 1 86 86 ASN C C 86 178.423 178.423 178.178 0.245 25067 10955 1 18 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.846 0.259 25067 10956 1 18 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.664 0.120 25067 10957 1 18 . 1 1 86 86 ASN H H 86 8.355 8.355 8.135 0.220 25067 10958 1 18 . 1 1 87 87 GLU N N 87 120.806 120.806 119.940 0.866 25067 10959 1 18 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.113 0.063 25067 10960 1 18 . 1 1 87 87 GLU C C 87 178.381 178.381 177.525 0.856 25067 10961 1 18 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.669 0.240 25067 10962 1 18 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.413 0.239 25067 10963 1 18 . 1 1 87 87 GLU H H 87 8.431 8.431 7.878 0.553 25067 10964 1 18 . 1 1 88 88 LEU N N 88 115.825 115.825 116.787 -0.962 25067 10965 1 18 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.663 -0.307 25067 10966 1 18 . 1 1 88 88 LEU C C 88 177.442 177.442 177.551 -0.109 25067 10967 1 18 . 1 1 88 88 LEU CA C 88 54.577 54.577 53.763 0.814 25067 10968 1 18 . 1 1 88 88 LEU CB C 88 43.500 43.500 41.614 1.886 25067 10969 1 18 . 1 1 88 88 LEU H H 88 7.547 7.547 7.735 -0.188 25067 10970 1 18 . 1 1 89 89 GLY N N 89 109.579 109.579 108.393 1.186 25067 10971 1 18 . 1 1 89 89 GLY C C 89 174.321 174.321 174.594 -0.273 25067 10972 1 18 . 1 1 89 89 GLY CA C 89 46.508 46.508 46.151 0.357 25067 10973 1 18 . 1 1 89 89 GLY H H 89 7.934 7.934 7.809 0.125 25067 10974 1 18 . 1 1 90 90 ALA N N 90 120.990 120.990 123.375 -2.385 25067 10975 1 18 . 1 1 90 90 ALA HA H 90 4.649 4.649 3.904 0.745 25067 10976 1 18 . 1 1 90 90 ALA C C 90 177.053 177.053 175.919 1.134 25067 10977 1 18 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.158 -2.084 25067 10978 1 18 . 1 1 90 90 ALA CB C 90 21.819 21.819 18.073 3.746 25067 10979 1 18 . 1 1 90 90 ALA H H 90 8.017 8.017 7.834 0.183 25067 10980 1 18 . 1 1 91 91 LYS N N 91 120.615 120.615 120.407 0.208 25067 10981 1 18 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.512 -0.096 25067 10982 1 18 . 1 1 91 91 LYS C C 91 175.765 175.765 175.608 0.157 25067 10983 1 18 . 1 1 91 91 LYS CA C 91 56.179 56.179 54.852 1.327 25067 10984 1 18 . 1 1 91 91 LYS CB C 91 32.742 32.742 34.702 -1.960 25067 10985 1 18 . 1 1 91 91 LYS H H 91 8.366 8.366 8.312 0.054 25067 10986 1 18 . 1 1 92 92 GLN N N 92 119.273 119.273 120.012 -0.739 25067 10987 1 18 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.414 0.747 25067 10988 1 18 . 1 1 92 92 GLN C C 92 175.136 175.136 176.067 -0.931 25067 10989 1 18 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.570 -1.460 25067 10990 1 18 . 1 1 92 92 GLN CB C 92 30.681 30.681 29.759 0.922 25067 10991 1 18 . 1 1 92 92 GLN H H 92 8.495 8.495 8.527 -0.032 25067 10992 1 18 . 1 1 93 93 SER N N 93 117.003 117.003 113.806 3.197 25067 10993 1 18 . 1 1 93 93 SER HA H 93 4.781 4.781 4.912 -0.131 25067 10994 1 18 . 1 1 93 93 SER C C 93 173.735 173.735 174.250 -0.515 25067 10995 1 18 . 1 1 93 93 SER CA C 93 57.819 57.819 56.853 0.966 25067 10996 1 18 . 1 1 93 93 SER CB C 93 64.648 64.648 65.206 -0.558 25067 10997 1 18 . 1 1 93 93 SER H H 93 8.441 8.441 8.245 0.196 25067 10998 1 18 . 1 1 94 94 THR HA H 94 4.781 4.781 4.506 0.275 25067 10999 1 18 . 1 1 94 94 THR CA C 94 61.111 61.111 61.096 0.015 25067 11000 1 18 . 1 1 94 94 THR CB C 94 71.032 71.032 70.001 1.031 25067 11001 1 18 . 1 1 95 95 THR N N 95 119.923 119.923 125.194 -5.271 25067 11002 1 18 . 1 1 95 95 THR HA H 95 5.098 5.098 4.409 0.689 25067 11003 1 18 . 1 1 95 95 THR CA C 95 60.438 60.438 61.745 -1.308 25067 11004 1 18 . 1 1 95 95 THR CB C 95 70.780 70.780 70.031 0.749 25067 11005 1 18 . 1 1 95 95 THR H H 95 8.762 8.762 8.528 0.234 25067 11006 1 18 . 1 1 96 96 THR HA H 96 4.367 4.367 4.642 -0.275 25067 11007 1 18 . 1 1 96 96 THR CA C 96 61.740 61.740 61.643 0.097 25067 11008 1 18 . 1 1 96 96 THR CB C 96 70.992 70.992 71.191 -0.199 25067 11009 1 18 . 1 1 97 97 THR N N 97 120.315 120.315 122.256 -1.941 25067 11010 1 18 . 1 1 97 97 THR HA H 97 5.363 5.363 4.778 0.585 25067 11011 1 18 . 1 1 97 97 THR CA C 97 61.379 61.379 61.646 -0.267 25067 11012 1 18 . 1 1 97 97 THR CB C 97 71.216 71.216 69.336 1.880 25067 11013 1 18 . 1 1 97 97 THR H H 97 8.999 8.999 8.649 0.350 25067 11014 1 18 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.813 0.379 25067 11015 1 18 . 1 1 98 98 ASP C C 98 175.672 175.672 176.442 -0.770 25067 11016 1 18 . 1 1 98 98 ASP CA C 98 52.593 52.593 52.382 0.211 25067 11017 1 18 . 1 1 98 98 ASP CB C 98 41.735 41.735 43.405 -1.670 25067 11018 1 18 . 1 1 99 99 GLY N N 99 111.919 111.919 107.850 4.069 25067 11019 1 18 . 1 1 99 99 GLY C C 99 174.049 174.049 174.845 -0.796 25067 11020 1 18 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.358 -1.332 25067 11021 1 18 . 1 1 99 99 GLY H H 99 7.817 7.817 8.423 -0.606 25067 11022 1 18 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.381 0.173 25067 11023 1 18 . 1 1 100 100 ASP C C 100 177.518 177.518 175.136 2.382 25067 11024 1 18 . 1 1 100 100 ASP CA C 100 57.488 57.488 56.018 1.470 25067 11025 1 18 . 1 1 100 100 ASP CB C 100 41.637 41.637 40.317 1.320 25067 11026 1 18 . 1 1 101 101 THR N N 101 112.835 112.835 113.387 -0.552 25067 11027 1 18 . 1 1 101 101 THR HA H 101 4.613 4.613 4.949 -0.336 25067 11028 1 18 . 1 1 101 101 THR C C 101 173.003 173.003 172.598 0.405 25067 11029 1 18 . 1 1 101 101 THR CA C 101 60.857 60.857 61.810 -0.953 25067 11030 1 18 . 1 1 101 101 THR CB C 101 70.589 70.589 71.724 -1.135 25067 11031 1 18 . 1 1 101 101 THR H H 101 7.819 7.819 7.236 0.583 25067 11032 1 18 . 1 1 102 102 PHE N N 102 126.633 126.633 126.054 0.579 25067 11033 1 18 . 1 1 102 102 PHE HA H 102 4.891 4.891 5.231 -0.340 25067 11034 1 18 . 1 1 102 102 PHE C C 102 173.286 173.286 173.044 0.242 25067 11035 1 18 . 1 1 102 102 PHE CA C 102 57.173 57.173 56.575 0.598 25067 11036 1 18 . 1 1 102 102 PHE CB C 102 40.719 40.719 42.486 -1.767 25067 11037 1 18 . 1 1 102 102 PHE H H 102 8.581 8.581 9.329 -0.748 25067 11038 1 18 . 1 1 103 103 GLU N N 103 125.528 125.528 128.718 -3.190 25067 11039 1 18 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.348 -0.111 25067 11040 1 18 . 1 1 103 103 GLU C C 103 173.851 173.851 174.565 -0.714 25067 11041 1 18 . 1 1 103 103 GLU CA C 103 54.060 54.060 53.840 0.220 25067 11042 1 18 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.341 0.977 25067 11043 1 18 . 1 1 103 103 GLU H H 103 7.986 7.986 8.624 -0.638 25067 11044 1 18 . 1 1 104 104 VAL N N 104 124.582 124.582 127.452 -2.870 25067 11045 1 18 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.649 -0.005 25067 11046 1 18 . 1 1 104 104 VAL C C 104 173.763 173.763 174.710 -0.947 25067 11047 1 18 . 1 1 104 104 VAL CA C 104 59.963 59.963 60.562 -0.599 25067 11048 1 18 . 1 1 104 104 VAL CB C 104 34.370 34.370 31.902 2.468 25067 11049 1 18 . 1 1 104 104 VAL H H 104 9.245 9.245 8.584 0.661 25067 11050 1 18 . 1 1 105 105 GLU N N 105 127.755 127.755 129.078 -1.323 25067 11051 1 18 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.717 0.535 25067 11052 1 18 . 1 1 105 105 GLU C C 105 174.572 174.572 175.171 -0.599 25067 11053 1 18 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.784 -0.425 25067 11054 1 18 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.618 1.200 25067 11055 1 18 . 1 1 105 105 GLU H H 105 9.040 9.040 8.628 0.412 25067 11056 1 18 . 1 1 106 106 VAL N N 106 127.452 127.452 127.883 -0.431 25067 11057 1 18 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.264 0.504 25067 11058 1 18 . 1 1 106 106 VAL C C 106 174.692 174.692 174.242 0.450 25067 11059 1 18 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.085 -0.662 25067 11060 1 18 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.758 2.384 25067 11061 1 18 . 1 1 106 106 VAL H H 106 9.315 9.315 8.896 0.419 25067 11062 1 18 . 1 1 107 107 ILE N N 107 127.006 127.006 128.872 -1.866 25067 11063 1 18 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.494 0.123 25067 11064 1 18 . 1 1 107 107 ILE C C 107 176.187 176.187 175.839 0.348 25067 11065 1 18 . 1 1 107 107 ILE CA C 107 60.406 60.406 58.819 1.587 25067 11066 1 18 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.551 1.970 25067 11067 1 18 . 1 1 107 107 ILE H H 107 8.814 8.814 8.497 0.317 25067 11068 1 18 . 1 1 108 108 LEU N N 108 128.313 128.313 129.281 -0.968 25067 11069 1 18 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.412 0.345 25067 11070 1 18 . 1 1 108 108 LEU C C 108 176.058 176.058 176.159 -0.101 25067 11071 1 18 . 1 1 108 108 LEU CA C 108 54.124 54.124 54.150 -0.026 25067 11072 1 18 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.218 1.856 25067 11073 1 18 . 1 1 108 108 LEU H H 108 8.652 8.652 8.842 -0.190 25067 11074 1 18 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.448 0.084 25067 11075 1 18 . 1 1 109 109 GLU C C 109 175.408 175.408 175.841 -0.433 25067 11076 1 18 . 1 1 109 109 GLU CA C 109 55.361 55.361 56.106 -0.745 25067 11077 1 18 . 1 1 109 109 GLU CB C 109 30.647 30.647 28.874 1.773 25067 11078 1 18 . 1 1 110 110 LEU N N 110 125.467 125.467 123.286 2.181 25067 11079 1 18 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.540 -0.139 25067 11080 1 18 . 1 1 110 110 LEU C C 110 176.854 176.854 177.087 -0.233 25067 11081 1 18 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.946 0.023 25067 11082 1 18 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.664 -0.149 25067 11083 1 18 . 1 1 110 110 LEU H H 110 8.402 8.402 8.071 0.331 25067 11084 1 18 . 1 1 111 111 GLU N N 111 121.575 121.575 120.256 1.319 25067 11085 1 18 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.407 -0.146 25067 11086 1 18 . 1 1 111 111 GLU CA C 111 56.521 56.521 57.117 -0.596 25067 11087 1 18 . 1 1 111 111 GLU CB C 111 30.291 30.291 28.101 2.190 25067 11088 1 18 . 1 1 111 111 GLU H H 111 8.607 8.607 8.436 0.171 25067 11089 1 19 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.734 -0.614 25067 11090 1 19 . 1 1 2 2 ALA CA C 2 52.161 52.161 51.814 0.347 25067 11091 1 19 . 1 1 2 2 ALA CB C 2 19.392 19.392 20.869 -1.477 25067 11092 1 19 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.264 0.114 25067 11093 1 19 . 1 1 4 4 LYS C C 4 176.563 176.563 175.423 1.140 25067 11094 1 19 . 1 1 4 4 LYS CA C 4 56.384 56.384 55.903 0.481 25067 11095 1 19 . 1 1 4 4 LYS CB C 4 33.156 33.156 30.171 2.986 25067 11096 1 19 . 1 1 5 5 GLU N N 5 122.511 122.511 122.556 -0.045 25067 11097 1 19 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.566 -0.189 25067 11098 1 19 . 1 1 5 5 GLU C C 5 176.099 176.099 174.817 1.282 25067 11099 1 19 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.133 0.251 25067 11100 1 19 . 1 1 5 5 GLU CB C 5 29.803 29.803 32.308 -2.505 25067 11101 1 19 . 1 1 5 5 GLU H H 5 8.601 8.601 8.050 0.551 25067 11102 1 19 . 1 1 6 6 LEU N N 6 124.063 124.063 127.597 -3.534 25067 11103 1 19 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.453 -0.054 25067 11104 1 19 . 1 1 6 6 LEU C C 6 175.082 175.082 176.679 -1.597 25067 11105 1 19 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.725 0.000 25067 11106 1 19 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.974 0.239 25067 11107 1 19 . 1 1 6 6 LEU H H 6 8.409 8.409 8.759 -0.350 25067 11108 1 19 . 1 1 7 7 ARG N N 7 122.244 122.244 123.935 -1.691 25067 11109 1 19 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.541 -0.096 25067 11110 1 19 . 1 1 7 7 ARG C C 7 174.768 174.768 175.040 -0.272 25067 11111 1 19 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.430 -0.740 25067 11112 1 19 . 1 1 7 7 ARG CB C 7 32.090 32.090 31.152 0.938 25067 11113 1 19 . 1 1 7 7 ARG H H 7 8.016 8.016 8.188 -0.172 25067 11114 1 19 . 1 1 8 8 VAL N N 8 123.767 123.767 119.079 4.688 25067 11115 1 19 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.943 -0.651 25067 11116 1 19 . 1 1 8 8 VAL C C 8 173.562 173.562 174.857 -1.295 25067 11117 1 19 . 1 1 8 8 VAL CA C 8 60.842 60.842 59.706 1.136 25067 11118 1 19 . 1 1 8 8 VAL CB C 8 34.184 34.184 34.581 -0.397 25067 11119 1 19 . 1 1 8 8 VAL H H 8 8.659 8.659 8.514 0.145 25067 11120 1 19 . 1 1 9 9 GLU N N 9 127.779 127.779 126.125 1.654 25067 11121 1 19 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.692 0.198 25067 11122 1 19 . 1 1 9 9 GLU C C 9 175.446 175.446 175.193 0.253 25067 11123 1 19 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.612 0.871 25067 11124 1 19 . 1 1 9 9 GLU CB C 9 30.750 30.750 31.369 -0.619 25067 11125 1 19 . 1 1 9 9 GLU H H 9 8.513 8.513 8.313 0.200 25067 11126 1 19 . 1 1 10 10 ILE N N 10 127.770 127.770 128.163 -0.393 25067 11127 1 19 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.374 0.526 25067 11128 1 19 . 1 1 10 10 ILE C C 10 174.981 174.981 174.864 0.117 25067 11129 1 19 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.662 -1.238 25067 11130 1 19 . 1 1 10 10 ILE CB C 10 38.645 38.645 36.713 1.932 25067 11131 1 19 . 1 1 10 10 ILE H H 10 9.199 9.199 8.252 0.947 25067 11132 1 19 . 1 1 11 11 LYS N N 11 125.866 125.866 129.687 -3.821 25067 11133 1 19 . 1 1 11 11 LYS HA H 11 5.438 5.438 4.921 0.517 25067 11134 1 19 . 1 1 11 11 LYS C C 11 175.835 175.835 175.128 0.707 25067 11135 1 19 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.077 0.740 25067 11136 1 19 . 1 1 11 11 LYS CB C 11 35.060 35.060 33.886 1.174 25067 11137 1 19 . 1 1 11 11 LYS H H 11 9.257 9.257 8.825 0.432 25067 11138 1 19 . 1 1 12 12 ILE N N 12 121.799 121.799 126.853 -5.054 25067 11139 1 19 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.304 0.995 25067 11140 1 19 . 1 1 12 12 ILE C C 12 175.132 175.132 175.175 -0.043 25067 11141 1 19 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.807 0.327 25067 11142 1 19 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.755 1.911 25067 11143 1 19 . 1 1 12 12 ILE H H 12 9.075 9.075 7.794 1.281 25067 11144 1 19 . 1 1 13 13 ASP N N 13 129.263 129.263 125.668 3.595 25067 11145 1 19 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.667 0.542 25067 11146 1 19 . 1 1 13 13 ASP C C 13 175.898 175.898 175.311 0.587 25067 11147 1 19 . 1 1 13 13 ASP CA C 13 52.731 52.731 54.452 -1.721 25067 11148 1 19 . 1 1 13 13 ASP CB C 13 43.750 43.750 42.557 1.193 25067 11149 1 19 . 1 1 13 13 ASP H H 13 9.415 9.415 8.550 0.865 25067 11150 1 19 . 1 1 14 14 CYS N N 14 122.767 122.767 124.289 -1.522 25067 11151 1 19 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.713 0.219 25067 11152 1 19 . 1 1 14 14 CYS C C 14 174.228 174.228 173.250 0.978 25067 11153 1 19 . 1 1 14 14 CYS CA C 14 58.269 58.269 58.850 -0.581 25067 11154 1 19 . 1 1 14 14 CYS CB C 14 28.447 28.447 30.193 -1.746 25067 11155 1 19 . 1 1 14 14 CYS H H 14 9.274 9.274 8.095 1.179 25067 11156 1 19 . 1 1 15 15 GLY N N 15 110.606 110.606 110.544 0.062 25067 11157 1 19 . 1 1 15 15 GLY C C 15 173.986 173.986 173.860 0.126 25067 11158 1 19 . 1 1 15 15 GLY CA C 15 45.892 45.892 44.934 0.958 25067 11159 1 19 . 1 1 15 15 GLY H H 15 8.919 8.919 8.236 0.683 25067 11160 1 19 . 1 1 16 16 ASN HA H 16 4.796 4.796 5.037 -0.241 25067 11161 1 19 . 1 1 16 16 ASN C C 16 175.157 175.157 175.541 -0.384 25067 11162 1 19 . 1 1 16 16 ASN CA C 16 53.181 53.181 52.808 0.373 25067 11163 1 19 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.139 0.816 25067 11164 1 19 . 1 1 17 17 ASP N N 17 118.767 118.767 121.562 -2.795 25067 11165 1 19 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.607 -0.018 25067 11166 1 19 . 1 1 17 17 ASP C C 17 175.493 175.493 176.389 -0.896 25067 11167 1 19 . 1 1 17 17 ASP CA C 17 54.533 54.533 56.052 -1.519 25067 11168 1 19 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.433 -0.441 25067 11169 1 19 . 1 1 17 17 ASP H H 17 8.409 8.409 8.151 0.258 25067 11170 1 19 . 1 1 18 18 ASP N N 18 119.912 119.912 118.762 1.150 25067 11171 1 19 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.900 -0.294 25067 11172 1 19 . 1 1 18 18 ASP C C 18 175.870 175.870 175.027 0.843 25067 11173 1 19 . 1 1 18 18 ASP CA C 18 54.242 54.242 53.742 0.500 25067 11174 1 19 . 1 1 18 18 ASP CB C 18 41.116 41.116 43.366 -2.250 25067 11175 1 19 . 1 1 18 18 ASP H H 18 8.291 8.291 8.065 0.226 25067 11176 1 19 . 1 1 19 19 LYS N N 19 120.828 120.828 119.379 1.449 25067 11177 1 19 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.002 0.437 25067 11178 1 19 . 1 1 19 19 LYS C C 19 176.121 176.121 175.070 1.051 25067 11179 1 19 . 1 1 19 19 LYS CA C 19 55.646 55.646 56.579 -0.933 25067 11180 1 19 . 1 1 19 19 LYS CB C 19 33.015 33.015 32.312 0.703 25067 11181 1 19 . 1 1 19 19 LYS H H 19 8.140 8.140 8.396 -0.256 25067 11182 1 19 . 1 1 20 20 GLU N N 20 123.292 123.292 123.872 -0.580 25067 11183 1 19 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.182 0.358 25067 11184 1 19 . 1 1 20 20 GLU C C 20 176.413 176.413 176.032 0.381 25067 11185 1 19 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.449 0.069 25067 11186 1 19 . 1 1 20 20 GLU CB C 20 30.543 30.543 30.225 0.318 25067 11187 1 19 . 1 1 20 20 GLU H H 20 8.645 8.645 8.494 0.151 25067 11188 1 19 . 1 1 21 21 THR N N 21 119.747 119.747 122.942 -3.195 25067 11189 1 19 . 1 1 21 21 THR HA H 21 4.517 4.517 4.470 0.047 25067 11190 1 19 . 1 1 21 21 THR C C 21 173.148 173.148 173.055 0.093 25067 11191 1 19 . 1 1 21 21 THR CA C 21 61.989 61.989 60.653 1.336 25067 11192 1 19 . 1 1 21 21 THR CB C 21 70.485 70.485 68.949 1.536 25067 11193 1 19 . 1 1 21 21 THR H H 21 8.589 8.589 8.475 0.114 25067 11194 1 19 . 1 1 22 22 THR N N 22 119.539 119.539 121.362 -1.823 25067 11195 1 19 . 1 1 22 22 THR HA H 22 5.342 5.342 5.398 -0.056 25067 11196 1 19 . 1 1 22 22 THR C C 22 173.148 173.148 173.578 -0.430 25067 11197 1 19 . 1 1 22 22 THR CA C 22 60.977 60.977 59.871 1.106 25067 11198 1 19 . 1 1 22 22 THR CB C 22 70.490 70.490 71.145 -0.656 25067 11199 1 19 . 1 1 22 22 THR H H 22 8.191 8.191 7.998 0.193 25067 11200 1 19 . 1 1 23 23 TYR N N 23 123.279 123.279 123.912 -0.633 25067 11201 1 19 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.631 0.023 25067 11202 1 19 . 1 1 23 23 TYR C C 23 173.400 173.400 175.400 -2.000 25067 11203 1 19 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.725 -0.743 25067 11204 1 19 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.550 1.768 25067 11205 1 19 . 1 1 23 23 TYR H H 23 9.268 9.268 8.153 1.115 25067 11206 1 19 . 1 1 24 24 ASP N N 24 121.837 121.837 123.398 -1.561 25067 11207 1 19 . 1 1 24 24 ASP HA H 24 4.844 4.844 4.713 0.131 25067 11208 1 19 . 1 1 24 24 ASP C C 24 173.400 173.400 175.255 -1.855 25067 11209 1 19 . 1 1 24 24 ASP CA C 24 53.469 53.469 54.369 -0.900 25067 11210 1 19 . 1 1 24 24 ASP CB C 24 41.941 41.941 42.132 -0.190 25067 11211 1 19 . 1 1 24 24 ASP H H 24 8.484 8.484 8.674 -0.190 25067 11212 1 19 . 1 1 25 25 LEU N N 25 126.268 126.268 119.632 6.636 25067 11213 1 19 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.535 -0.435 25067 11214 1 19 . 1 1 25 25 LEU C C 25 174.677 174.677 174.696 -0.019 25067 11215 1 19 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.897 -1.164 25067 11216 1 19 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.910 -2.284 25067 11217 1 19 . 1 1 25 25 LEU H H 25 8.619 8.619 7.722 0.897 25067 11218 1 19 . 1 1 26 26 TYR N N 26 123.695 123.695 121.027 2.668 25067 11219 1 19 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.836 -0.201 25067 11220 1 19 . 1 1 26 26 TYR C C 26 176.833 176.833 175.166 1.667 25067 11221 1 19 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.535 -0.253 25067 11222 1 19 . 1 1 26 26 TYR CB C 26 38.143 38.143 38.742 -0.599 25067 11223 1 19 . 1 1 26 26 TYR H H 26 8.465 8.465 8.290 0.175 25067 11224 1 19 . 1 1 27 27 PHE N N 27 119.951 119.951 125.604 -5.653 25067 11225 1 19 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.383 0.403 25067 11226 1 19 . 1 1 27 27 PHE C C 27 176.205 176.205 174.752 1.453 25067 11227 1 19 . 1 1 27 27 PHE CA C 27 60.136 60.136 58.724 1.412 25067 11228 1 19 . 1 1 27 27 PHE CB C 27 38.455 38.455 39.526 -1.071 25067 11229 1 19 . 1 1 27 27 PHE H H 27 7.991 7.991 8.586 -0.595 25067 11230 1 19 . 1 1 28 28 SER N N 28 114.987 114.987 118.842 -3.855 25067 11231 1 19 . 1 1 28 28 SER HA H 28 4.455 4.455 4.094 0.361 25067 11232 1 19 . 1 1 28 28 SER C C 28 174.517 174.517 173.126 1.391 25067 11233 1 19 . 1 1 28 28 SER CA C 28 59.489 59.489 57.959 1.530 25067 11234 1 19 . 1 1 28 28 SER CB C 28 62.828 62.828 65.146 -2.318 25067 11235 1 19 . 1 1 28 28 SER H H 28 8.508 8.508 8.335 0.173 25067 11236 1 19 . 1 1 29 29 LYS N N 29 123.721 123.721 121.540 2.181 25067 11237 1 19 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.532 0.121 25067 11238 1 19 . 1 1 29 29 LYS C C 29 175.954 175.954 176.317 -0.363 25067 11239 1 19 . 1 1 29 29 LYS CA C 29 54.695 54.695 54.604 0.091 25067 11240 1 19 . 1 1 29 29 LYS CB C 29 31.548 31.548 34.449 -2.901 25067 11241 1 19 . 1 1 29 29 LYS H H 29 7.723 7.723 7.849 -0.126 25067 11242 1 19 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.332 -0.260 25067 11243 1 19 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.243 0.304 25067 11244 1 19 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.594 0.177 25067 11245 1 19 . 1 1 31 31 GLU N N 31 117.703 117.703 118.915 -1.212 25067 11246 1 19 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.069 0.109 25067 11247 1 19 . 1 1 31 31 GLU C C 31 179.251 179.251 178.901 0.350 25067 11248 1 19 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.867 -0.271 25067 11249 1 19 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.288 -0.689 25067 11250 1 19 . 1 1 31 31 GLU H H 31 9.034 9.034 8.887 0.147 25067 11251 1 19 . 1 1 32 32 GLU N N 32 121.084 121.084 119.032 2.052 25067 11252 1 19 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.136 0.049 25067 11253 1 19 . 1 1 32 32 GLU C C 32 179.251 179.251 178.872 0.379 25067 11254 1 19 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.703 0.514 25067 11255 1 19 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.402 -0.071 25067 11256 1 19 . 1 1 32 32 GLU H H 32 8.046 8.046 7.986 0.060 25067 11257 1 19 . 1 1 33 33 ALA N N 33 122.906 122.906 122.570 0.336 25067 11258 1 19 . 1 1 33 33 ALA HA H 33 4.090 4.090 4.017 0.073 25067 11259 1 19 . 1 1 33 33 ALA C C 33 180.244 180.244 179.631 0.613 25067 11260 1 19 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.217 0.303 25067 11261 1 19 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.193 -0.225 25067 11262 1 19 . 1 1 33 33 ALA H H 33 8.383 8.383 8.188 0.195 25067 11263 1 19 . 1 1 34 34 LYS N N 34 119.560 119.560 117.351 2.209 25067 11264 1 19 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.169 0.021 25067 11265 1 19 . 1 1 34 34 LYS C C 34 179.198 179.198 178.957 0.241 25067 11266 1 19 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.659 -0.178 25067 11267 1 19 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.380 0.072 25067 11268 1 19 . 1 1 34 34 LYS H H 34 7.885 7.885 8.036 -0.151 25067 11269 1 19 . 1 1 35 35 GLU N N 35 121.053 121.053 120.812 0.241 25067 11270 1 19 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.188 -0.007 25067 11271 1 19 . 1 1 35 35 GLU C C 35 179.288 179.288 178.733 0.555 25067 11272 1 19 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.023 0.368 25067 11273 1 19 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.488 -0.144 25067 11274 1 19 . 1 1 35 35 GLU H H 35 8.042 8.042 7.640 0.402 25067 11275 1 19 . 1 1 36 36 LEU N N 36 121.053 121.053 120.452 0.601 25067 11276 1 19 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.243 -0.006 25067 11277 1 19 . 1 1 36 36 LEU C C 36 177.982 177.982 179.533 -1.551 25067 11278 1 19 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.421 0.316 25067 11279 1 19 . 1 1 36 36 LEU CB C 36 41.941 41.941 40.811 1.130 25067 11280 1 19 . 1 1 36 36 LEU H H 36 8.434 8.434 8.046 0.388 25067 11281 1 19 . 1 1 37 37 LEU N N 37 120.035 120.035 121.593 -1.558 25067 11282 1 19 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.878 -0.262 25067 11283 1 19 . 1 1 37 37 LEU C C 37 178.070 178.070 178.095 -0.025 25067 11284 1 19 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.650 0.899 25067 11285 1 19 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.398 0.750 25067 11286 1 19 . 1 1 37 37 LEU H H 37 7.883 7.883 8.754 -0.871 25067 11287 1 19 . 1 1 38 38 LYS N N 38 116.604 116.604 118.404 -1.800 25067 11288 1 19 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.886 -0.090 25067 11289 1 19 . 1 1 38 38 LYS C C 38 178.246 178.246 178.839 -0.593 25067 11290 1 19 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.718 -0.203 25067 11291 1 19 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.220 0.375 25067 11292 1 19 . 1 1 38 38 LYS H H 38 7.102 7.102 7.716 -0.614 25067 11293 1 19 . 1 1 39 39 LYS N N 39 118.823 118.823 119.133 -0.310 25067 11294 1 19 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.075 0.080 25067 11295 1 19 . 1 1 39 39 LYS C C 39 179.464 179.464 178.888 0.576 25067 11296 1 19 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.344 -0.218 25067 11297 1 19 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.734 -0.040 25067 11298 1 19 . 1 1 39 39 LYS H H 39 7.752 7.752 7.803 -0.051 25067 11299 1 19 . 1 1 40 40 VAL N N 40 119.336 119.336 119.706 -0.370 25067 11300 1 19 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.366 -0.013 25067 11301 1 19 . 1 1 40 40 VAL C C 40 178.612 178.612 177.726 0.886 25067 11302 1 19 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.177 0.159 25067 11303 1 19 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.600 -0.448 25067 11304 1 19 . 1 1 40 40 VAL H H 40 8.925 8.925 8.138 0.787 25067 11305 1 19 . 1 1 41 41 ALA N N 41 120.709 120.709 121.132 -0.423 25067 11306 1 19 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.915 -0.020 25067 11307 1 19 . 1 1 41 41 ALA C C 41 179.163 179.163 179.612 -0.449 25067 11308 1 19 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.645 -0.620 25067 11309 1 19 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.128 0.567 25067 11310 1 19 . 1 1 41 41 ALA H H 41 8.001 8.001 7.757 0.244 25067 11311 1 19 . 1 1 42 42 GLU N N 42 117.330 117.330 118.491 -1.161 25067 11312 1 19 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.096 -0.160 25067 11313 1 19 . 1 1 42 42 GLU C C 42 179.452 179.452 179.134 0.318 25067 11314 1 19 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.021 0.590 25067 11315 1 19 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.013 0.726 25067 11316 1 19 . 1 1 42 42 GLU H H 42 8.197 8.197 7.825 0.372 25067 11317 1 19 . 1 1 43 43 LYS N N 43 119.586 119.586 118.973 0.613 25067 11318 1 19 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.073 0.125 25067 11319 1 19 . 1 1 43 43 LYS C C 43 179.595 179.595 178.903 0.692 25067 11320 1 19 . 1 1 43 43 LYS CA C 43 58.769 58.769 58.222 0.547 25067 11321 1 19 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.561 0.510 25067 11322 1 19 . 1 1 43 43 LYS H H 43 8.119 8.119 8.163 -0.044 25067 11323 1 19 . 1 1 44 44 ALA N N 44 121.948 121.948 121.085 0.863 25067 11324 1 19 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.116 0.150 25067 11325 1 19 . 1 1 44 44 ALA C C 44 178.937 178.937 178.728 0.209 25067 11326 1 19 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.787 0.203 25067 11327 1 19 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.196 -0.395 25067 11328 1 19 . 1 1 44 44 ALA H H 44 8.396 8.396 8.243 0.153 25067 11329 1 19 . 1 1 45 45 ALA N N 45 118.814 118.814 120.784 -1.970 25067 11330 1 19 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.939 0.018 25067 11331 1 19 . 1 1 45 45 ALA C C 45 178.887 178.887 179.035 -0.148 25067 11332 1 19 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.819 0.749 25067 11333 1 19 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.358 -0.331 25067 11334 1 19 . 1 1 45 45 ALA H H 45 8.519 8.519 7.790 0.729 25067 11335 1 19 . 1 1 46 46 ASP N N 46 116.930 116.930 118.141 -1.211 25067 11336 1 19 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.380 0.019 25067 11337 1 19 . 1 1 46 46 ASP C C 46 178.020 178.020 178.314 -0.294 25067 11338 1 19 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.691 -0.050 25067 11339 1 19 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.929 0.907 25067 11340 1 19 . 1 1 46 46 ASP H H 46 7.852 7.852 8.140 -0.288 25067 11341 1 19 . 1 1 47 47 LYS N N 47 119.467 119.467 118.280 1.187 25067 11342 1 19 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.130 -0.037 25067 11343 1 19 . 1 1 47 47 LYS C C 47 178.924 178.924 179.001 -0.077 25067 11344 1 19 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.525 1.147 25067 11345 1 19 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.116 0.395 25067 11346 1 19 . 1 1 47 47 LYS H H 47 7.692 7.692 7.311 0.381 25067 11347 1 19 . 1 1 48 48 ILE N N 48 119.929 119.929 119.294 0.635 25067 11348 1 19 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.886 -0.146 25067 11349 1 19 . 1 1 48 48 ILE C C 48 179.025 179.025 177.249 1.776 25067 11350 1 19 . 1 1 48 48 ILE CA C 48 64.978 64.978 64.205 0.773 25067 11351 1 19 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.894 0.398 25067 11352 1 19 . 1 1 48 48 ILE H H 48 8.585 8.585 8.078 0.507 25067 11353 1 19 . 1 1 49 49 LYS N N 49 119.534 119.534 118.018 1.516 25067 11354 1 19 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.039 -0.022 25067 11355 1 19 . 1 1 49 49 LYS C C 49 179.025 179.025 177.911 1.114 25067 11356 1 19 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.485 1.162 25067 11357 1 19 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.124 0.477 25067 11358 1 19 . 1 1 49 49 LYS H H 49 8.353 8.353 7.833 0.520 25067 11359 1 19 . 1 1 50 50 LYS N N 50 117.423 117.423 116.637 0.786 25067 11360 1 19 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.184 0.032 25067 11361 1 19 . 1 1 50 50 LYS C C 50 178.510 178.510 176.920 1.590 25067 11362 1 19 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.265 0.232 25067 11363 1 19 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.434 -0.112 25067 11364 1 19 . 1 1 50 50 LYS H H 50 7.996 7.996 7.761 0.235 25067 11365 1 19 . 1 1 51 51 GLN N N 51 115.137 115.137 117.635 -2.498 25067 11366 1 19 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.480 0.001 25067 11367 1 19 . 1 1 51 51 GLN C C 51 177.292 177.292 175.037 2.255 25067 11368 1 19 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.408 0.599 25067 11369 1 19 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.024 -1.084 25067 11370 1 19 . 1 1 51 51 GLN H H 51 8.384 8.384 7.975 0.409 25067 11371 1 19 . 1 1 52 52 GLY N N 52 109.119 109.119 112.771 -3.652 25067 11372 1 19 . 1 1 52 52 GLY C C 52 174.391 174.391 174.196 0.195 25067 11373 1 19 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.370 1.190 25067 11374 1 19 . 1 1 52 52 GLY H H 52 8.218 8.218 8.614 -0.396 25067 11375 1 19 . 1 1 53 53 CYS N N 53 116.935 116.935 121.692 -4.757 25067 11376 1 19 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.494 -0.009 25067 11377 1 19 . 1 1 53 53 CYS C C 53 173.989 173.989 175.903 -1.914 25067 11378 1 19 . 1 1 53 53 CYS CA C 53 58.148 58.148 56.876 1.272 25067 11379 1 19 . 1 1 53 53 CYS CB C 53 28.714 28.714 27.051 1.663 25067 11380 1 19 . 1 1 53 53 CYS H H 53 7.623 7.623 8.212 -0.589 25067 11381 1 19 . 1 1 54 54 LYS N N 54 120.659 120.659 123.603 -2.944 25067 11382 1 19 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.562 -0.062 25067 11383 1 19 . 1 1 54 54 LYS C C 54 174.793 174.793 176.334 -1.541 25067 11384 1 19 . 1 1 54 54 LYS CA C 54 56.326 56.326 56.950 -0.624 25067 11385 1 19 . 1 1 54 54 LYS CB C 54 33.710 33.710 33.428 0.282 25067 11386 1 19 . 1 1 54 54 LYS H H 54 8.765 8.765 8.532 0.233 25067 11387 1 19 . 1 1 55 55 ARG N N 55 117.927 117.927 119.917 -1.990 25067 11388 1 19 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.610 0.833 25067 11389 1 19 . 1 1 55 55 ARG C C 55 174.517 174.517 174.296 0.221 25067 11390 1 19 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.942 -1.353 25067 11391 1 19 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.278 1.338 25067 11392 1 19 . 1 1 55 55 ARG H H 55 7.603 7.603 7.497 0.106 25067 11393 1 19 . 1 1 56 56 VAL N N 56 122.079 122.079 126.201 -4.122 25067 11394 1 19 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.299 0.526 25067 11395 1 19 . 1 1 56 56 VAL C C 56 173.311 173.311 174.479 -1.168 25067 11396 1 19 . 1 1 56 56 VAL CA C 56 60.285 60.285 61.078 -0.793 25067 11397 1 19 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.684 0.247 25067 11398 1 19 . 1 1 56 56 VAL H H 56 8.853 8.853 8.774 0.079 25067 11399 1 19 . 1 1 57 57 LYS N N 57 125.849 125.849 125.692 0.157 25067 11400 1 19 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.652 0.952 25067 11401 1 19 . 1 1 57 57 LYS C C 57 174.881 174.881 174.808 0.073 25067 11402 1 19 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.428 -0.690 25067 11403 1 19 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.758 1.177 25067 11404 1 19 . 1 1 57 57 LYS H H 57 8.819 8.819 8.315 0.504 25067 11405 1 19 . 1 1 58 58 ILE N N 58 125.213 125.213 126.014 -0.801 25067 11406 1 19 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.382 0.785 25067 11407 1 19 . 1 1 58 58 ILE C C 58 174.981 174.981 174.829 0.152 25067 11408 1 19 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.844 -0.248 25067 11409 1 19 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.846 2.013 25067 11410 1 19 . 1 1 58 58 ILE H H 58 9.204 9.204 8.684 0.520 25067 11411 1 19 . 1 1 59 59 ARG N N 59 124.047 124.047 126.955 -2.908 25067 11412 1 19 . 1 1 59 59 ARG HA H 59 6.101 6.101 4.849 1.252 25067 11413 1 19 . 1 1 59 59 ARG C C 59 175.144 175.144 174.937 0.207 25067 11414 1 19 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.763 -0.672 25067 11415 1 19 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.573 2.462 25067 11416 1 19 . 1 1 59 59 ARG H H 59 9.467 9.467 8.765 0.702 25067 11417 1 19 . 1 1 60 60 PHE N N 60 113.223 113.223 123.342 -10.119 25067 11418 1 19 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.080 0.124 25067 11419 1 19 . 1 1 60 60 PHE C C 60 173.110 173.110 173.245 -0.135 25067 11420 1 19 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.843 0.088 25067 11421 1 19 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.570 -1.190 25067 11422 1 19 . 1 1 60 60 PHE H H 60 8.451 8.451 8.433 0.018 25067 11423 1 19 . 1 1 61 61 GLU N N 61 121.333 121.333 125.892 -4.559 25067 11424 1 19 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.438 0.206 25067 11425 1 19 . 1 1 61 61 GLU C C 61 177.147 177.147 174.743 2.404 25067 11426 1 19 . 1 1 61 61 GLU CA C 61 55.965 55.965 56.074 -0.109 25067 11427 1 19 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.702 -0.004 25067 11428 1 19 . 1 1 61 61 GLU H H 61 9.572 9.572 8.102 1.470 25067 11429 1 19 . 1 1 62 62 LYS N N 62 121.311 121.311 122.979 -1.668 25067 11430 1 19 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.318 0.025 25067 11431 1 19 . 1 1 62 62 LYS C C 62 177.398 177.398 176.276 1.122 25067 11432 1 19 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.593 2.592 25067 11433 1 19 . 1 1 62 62 LYS CB C 62 32.937 32.937 35.029 -2.092 25067 11434 1 19 . 1 1 62 62 LYS H H 62 8.160 8.160 8.419 -0.259 25067 11435 1 19 . 1 1 63 63 LYS N N 63 120.742 120.742 122.031 -1.289 25067 11436 1 19 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.099 0.019 25067 11437 1 19 . 1 1 63 63 LYS C C 63 177.015 177.015 176.823 0.192 25067 11438 1 19 . 1 1 63 63 LYS CA C 63 58.693 58.693 57.959 0.734 25067 11439 1 19 . 1 1 63 63 LYS CB C 63 31.677 31.677 31.080 0.597 25067 11440 1 19 . 1 1 63 63 LYS H H 63 8.028 8.028 7.485 0.543 25067 11441 1 19 . 1 1 64 64 GLY C C 64 174.039 174.039 174.061 -0.022 25067 11442 1 19 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.860 0.003 25067 11443 1 19 . 1 1 65 65 LEU N N 65 119.849 119.849 119.654 0.195 25067 11444 1 19 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.854 -0.230 25067 11445 1 19 . 1 1 65 65 LEU C C 65 177.493 177.493 175.833 1.660 25067 11446 1 19 . 1 1 65 65 LEU CA C 65 54.128 54.128 53.964 0.164 25067 11447 1 19 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.188 1.498 25067 11448 1 19 . 1 1 65 65 LEU H H 65 7.836 7.836 7.456 0.380 25067 11449 1 19 . 1 1 66 66 ASP N N 66 123.296 123.296 119.541 3.755 25067 11450 1 19 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.746 -0.074 25067 11451 1 19 . 1 1 66 66 ASP C C 66 175.471 175.471 177.178 -1.707 25067 11452 1 19 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.742 -1.922 25067 11453 1 19 . 1 1 66 66 ASP CB C 66 41.017 41.017 41.807 -0.790 25067 11454 1 19 . 1 1 66 66 ASP H H 66 8.226 8.226 8.462 -0.236 25067 11455 1 19 . 1 1 67 67 ASP N N 67 118.859 118.859 120.520 -1.661 25067 11456 1 19 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.366 -0.123 25067 11457 1 19 . 1 1 67 67 ASP C C 67 178.121 178.121 177.764 0.357 25067 11458 1 19 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.357 1.116 25067 11459 1 19 . 1 1 67 67 ASP CB C 67 41.067 41.067 40.978 0.089 25067 11460 1 19 . 1 1 67 67 ASP H H 67 8.529 8.529 8.772 -0.243 25067 11461 1 19 . 1 1 68 68 ASP N N 68 119.187 119.187 120.286 -1.099 25067 11462 1 19 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.473 -0.133 25067 11463 1 19 . 1 1 68 68 ASP C C 68 177.807 177.807 178.197 -0.390 25067 11464 1 19 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.268 0.213 25067 11465 1 19 . 1 1 68 68 ASP CB C 68 41.459 41.459 41.002 0.457 25067 11466 1 19 . 1 1 68 68 ASP H H 68 8.244 8.244 8.435 -0.191 25067 11467 1 19 . 1 1 69 69 ALA N N 69 122.537 122.537 122.674 -0.137 25067 11468 1 19 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.527 -0.899 25067 11469 1 19 . 1 1 69 69 ALA C C 69 179.452 179.452 179.965 -0.513 25067 11470 1 19 . 1 1 69 69 ALA CA C 69 55.016 55.016 55.070 -0.054 25067 11471 1 19 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.165 0.998 25067 11472 1 19 . 1 1 69 69 ALA H H 69 8.191 8.191 8.222 -0.031 25067 11473 1 19 . 1 1 70 70 ARG N N 70 115.799 115.799 118.841 -3.042 25067 11474 1 19 . 1 1 70 70 ARG HA H 70 3.723 3.723 4.104 -0.381 25067 11475 1 19 . 1 1 70 70 ARG C C 70 178.183 178.183 178.217 -0.034 25067 11476 1 19 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.130 1.218 25067 11477 1 19 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.087 0.525 25067 11478 1 19 . 1 1 70 70 ARG H H 70 8.419 8.419 8.342 0.077 25067 11479 1 19 . 1 1 71 71 LYS N N 71 118.170 118.170 119.305 -1.135 25067 11480 1 19 . 1 1 71 71 LYS HA H 71 3.837 3.837 4.051 -0.214 25067 11481 1 19 . 1 1 71 71 LYS C C 71 179.891 179.891 179.114 0.777 25067 11482 1 19 . 1 1 71 71 LYS CA C 71 59.650 59.650 58.724 0.926 25067 11483 1 19 . 1 1 71 71 LYS CB C 71 32.419 32.419 31.983 0.436 25067 11484 1 19 . 1 1 71 71 LYS H H 71 7.781 7.781 7.594 0.187 25067 11485 1 19 . 1 1 72 72 LYS N N 72 119.730 119.730 118.787 0.943 25067 11486 1 19 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.059 -0.323 25067 11487 1 19 . 1 1 72 72 LYS C C 72 178.874 178.874 178.877 -0.003 25067 11488 1 19 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.535 1.038 25067 11489 1 19 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.929 0.464 25067 11490 1 19 . 1 1 72 72 LYS H H 72 7.835 7.835 8.034 -0.199 25067 11491 1 19 . 1 1 73 73 ALA N N 73 123.068 123.068 121.759 1.309 25067 11492 1 19 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.855 -0.100 25067 11493 1 19 . 1 1 73 73 ALA C C 73 178.246 178.246 179.329 -1.083 25067 11494 1 19 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.788 0.562 25067 11495 1 19 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.740 -0.094 25067 11496 1 19 . 1 1 73 73 ALA H H 73 8.343 8.343 7.725 0.618 25067 11497 1 19 . 1 1 74 74 LYS N N 74 117.936 117.936 119.282 -1.346 25067 11498 1 19 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.998 -0.354 25067 11499 1 19 . 1 1 74 74 LYS C C 74 177.694 177.694 178.726 -1.032 25067 11500 1 19 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.214 1.107 25067 11501 1 19 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.059 0.616 25067 11502 1 19 . 1 1 74 74 LYS H H 74 7.934 7.934 7.694 0.240 25067 11503 1 19 . 1 1 75 75 LYS N N 75 116.863 116.863 119.312 -2.449 25067 11504 1 19 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.097 -0.118 25067 11505 1 19 . 1 1 75 75 LYS C C 75 178.884 178.884 178.430 0.454 25067 11506 1 19 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.381 0.028 25067 11507 1 19 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.168 0.329 25067 11508 1 19 . 1 1 75 75 LYS H H 75 7.371 7.371 7.706 -0.335 25067 11509 1 19 . 1 1 76 76 TRP N N 76 121.108 121.108 121.349 -0.241 25067 11510 1 19 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.113 0.084 25067 11511 1 19 . 1 1 76 76 TRP C C 76 177.618 177.618 177.668 -0.050 25067 11512 1 19 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.419 0.307 25067 11513 1 19 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.249 0.744 25067 11514 1 19 . 1 1 76 76 TRP H H 76 8.156 8.156 7.973 0.183 25067 11515 1 19 . 1 1 77 77 ALA N N 77 120.099 120.099 120.492 -0.393 25067 11516 1 19 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.747 0.352 25067 11517 1 19 . 1 1 77 77 ALA C C 77 179.125 179.125 179.470 -0.345 25067 11518 1 19 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.918 0.730 25067 11519 1 19 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.442 -0.123 25067 11520 1 19 . 1 1 77 77 ALA H H 77 8.883 8.883 8.221 0.662 25067 11521 1 19 . 1 1 78 78 LEU N N 78 116.584 116.584 118.400 -1.816 25067 11522 1 19 . 1 1 78 78 LEU HA H 78 4.131 4.131 4.058 0.073 25067 11523 1 19 . 1 1 78 78 LEU C C 78 179.828 179.828 179.121 0.707 25067 11524 1 19 . 1 1 78 78 LEU CA C 78 57.843 57.843 56.986 0.856 25067 11525 1 19 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.704 -0.006 25067 11526 1 19 . 1 1 78 78 LEU H H 78 8.238 8.238 7.444 0.794 25067 11527 1 19 . 1 1 79 79 GLU N N 79 121.435 121.435 119.901 1.534 25067 11528 1 19 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.954 0.149 25067 11529 1 19 . 1 1 79 79 GLU C C 79 180.004 180.004 179.280 0.724 25067 11530 1 19 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.270 0.100 25067 11531 1 19 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.067 0.055 25067 11532 1 19 . 1 1 79 79 GLU H H 79 8.296 8.296 8.056 0.240 25067 11533 1 19 . 1 1 80 80 VAL N N 80 122.863 122.863 119.324 3.539 25067 11534 1 19 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.385 -0.030 25067 11535 1 19 . 1 1 80 80 VAL C C 80 177.044 177.044 177.823 -0.779 25067 11536 1 19 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.136 0.333 25067 11537 1 19 . 1 1 80 80 VAL CB C 80 30.698 30.698 31.005 -0.307 25067 11538 1 19 . 1 1 80 80 VAL H H 80 8.603 8.603 7.828 0.775 25067 11539 1 19 . 1 1 81 81 ALA N N 81 122.490 122.490 121.682 0.808 25067 11540 1 19 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.854 -0.121 25067 11541 1 19 . 1 1 81 81 ALA C C 81 178.529 178.529 179.251 -0.722 25067 11542 1 19 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.330 0.315 25067 11543 1 19 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.269 0.146 25067 11544 1 19 . 1 1 81 81 ALA H H 81 7.684 7.684 7.420 0.264 25067 11545 1 19 . 1 1 82 82 ASN N N 82 114.569 114.569 115.487 -0.918 25067 11546 1 19 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.475 -0.097 25067 11547 1 19 . 1 1 82 82 ASN C C 82 177.505 177.505 177.610 -0.105 25067 11548 1 19 . 1 1 82 82 ASN CA C 82 56.203 56.203 56.015 0.188 25067 11549 1 19 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.563 0.271 25067 11550 1 19 . 1 1 82 82 ASN H H 82 7.752 7.752 8.310 -0.558 25067 11551 1 19 . 1 1 83 83 LYS N N 83 121.384 121.384 121.806 -0.422 25067 11552 1 19 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.055 0.039 25067 11553 1 19 . 1 1 83 83 LYS C C 83 179.037 179.037 178.776 0.261 25067 11554 1 19 . 1 1 83 83 LYS CA C 83 59.075 59.075 59.005 0.070 25067 11555 1 19 . 1 1 83 83 LYS CB C 83 32.148 32.148 32.236 -0.088 25067 11556 1 19 . 1 1 83 83 LYS H H 83 8.343 8.343 7.778 0.565 25067 11557 1 19 . 1 1 84 84 ILE N N 84 120.298 120.298 118.570 1.728 25067 11558 1 19 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.742 -0.257 25067 11559 1 19 . 1 1 84 84 ILE C C 84 177.063 177.063 177.764 -0.701 25067 11560 1 19 . 1 1 84 84 ILE CA C 84 66.188 66.188 64.898 1.290 25067 11561 1 19 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.759 0.629 25067 11562 1 19 . 1 1 84 84 ILE H H 84 8.496 8.496 7.549 0.947 25067 11563 1 19 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.935 -0.119 25067 11564 1 19 . 1 1 85 85 ALA C C 85 179.891 179.891 179.253 0.638 25067 11565 1 19 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.271 0.520 25067 11566 1 19 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.268 -0.220 25067 11567 1 19 . 1 1 85 85 ALA H H 85 7.768 7.768 8.385 -0.617 25067 11568 1 19 . 1 1 86 86 ASN N N 86 116.155 116.155 115.376 0.779 25067 11569 1 19 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.536 -0.001 25067 11570 1 19 . 1 1 86 86 ASN C C 86 178.423 178.423 177.282 1.141 25067 11571 1 19 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.397 0.709 25067 11572 1 19 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.437 0.347 25067 11573 1 19 . 1 1 86 86 ASN H H 86 8.355 8.355 7.848 0.507 25067 11574 1 19 . 1 1 87 87 GLU N N 87 120.806 120.806 118.955 1.851 25067 11575 1 19 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.204 -0.028 25067 11576 1 19 . 1 1 87 87 GLU C C 87 178.381 178.381 178.100 0.281 25067 11577 1 19 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.296 0.613 25067 11578 1 19 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.801 -0.149 25067 11579 1 19 . 1 1 87 87 GLU H H 87 8.431 8.431 7.756 0.675 25067 11580 1 19 . 1 1 88 88 LEU N N 88 115.825 115.825 115.936 -0.111 25067 11581 1 19 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.502 -0.146 25067 11582 1 19 . 1 1 88 88 LEU C C 88 177.442 177.442 177.285 0.157 25067 11583 1 19 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.274 -0.697 25067 11584 1 19 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.902 0.598 25067 11585 1 19 . 1 1 88 88 LEU H H 88 7.547 7.547 7.907 -0.360 25067 11586 1 19 . 1 1 89 89 GLY N N 89 109.579 109.579 106.157 3.422 25067 11587 1 19 . 1 1 89 89 GLY C C 89 174.321 174.321 174.166 0.155 25067 11588 1 19 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.029 1.479 25067 11589 1 19 . 1 1 89 89 GLY H H 89 7.934 7.934 7.747 0.187 25067 11590 1 19 . 1 1 90 90 ALA N N 90 120.990 120.990 121.170 -0.180 25067 11591 1 19 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.560 0.089 25067 11592 1 19 . 1 1 90 90 ALA C C 90 177.053 177.053 176.773 0.280 25067 11593 1 19 . 1 1 90 90 ALA CA C 90 51.074 51.074 51.334 -0.260 25067 11594 1 19 . 1 1 90 90 ALA CB C 90 21.819 21.819 20.681 1.138 25067 11595 1 19 . 1 1 90 90 ALA H H 90 8.017 8.017 7.693 0.324 25067 11596 1 19 . 1 1 91 91 LYS N N 91 120.615 120.615 119.408 1.207 25067 11597 1 19 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.478 -0.062 25067 11598 1 19 . 1 1 91 91 LYS C C 91 175.765 175.765 177.323 -1.558 25067 11599 1 19 . 1 1 91 91 LYS CA C 91 56.179 56.179 57.514 -1.335 25067 11600 1 19 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.409 -0.667 25067 11601 1 19 . 1 1 91 91 LYS H H 91 8.366 8.366 8.372 -0.006 25067 11602 1 19 . 1 1 92 92 GLN N N 92 119.273 119.273 114.912 4.361 25067 11603 1 19 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.642 0.519 25067 11604 1 19 . 1 1 92 92 GLN C C 92 175.136 175.136 173.725 1.411 25067 11605 1 19 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.026 -0.916 25067 11606 1 19 . 1 1 92 92 GLN CB C 92 30.681 30.681 33.120 -2.439 25067 11607 1 19 . 1 1 92 92 GLN H H 92 8.495 8.495 8.268 0.227 25067 11608 1 19 . 1 1 93 93 SER N N 93 117.003 117.003 114.244 2.759 25067 11609 1 19 . 1 1 93 93 SER HA H 93 4.781 4.781 5.050 -0.269 25067 11610 1 19 . 1 1 93 93 SER C C 93 173.735 173.735 173.943 -0.208 25067 11611 1 19 . 1 1 93 93 SER CA C 93 57.819 57.819 57.087 0.732 25067 11612 1 19 . 1 1 93 93 SER CB C 93 64.648 64.648 65.401 -0.753 25067 11613 1 19 . 1 1 93 93 SER H H 93 8.441 8.441 8.454 -0.013 25067 11614 1 19 . 1 1 94 94 THR HA H 94 4.781 4.781 4.574 0.207 25067 11615 1 19 . 1 1 94 94 THR CA C 94 61.111 61.111 61.081 0.030 25067 11616 1 19 . 1 1 94 94 THR CB C 94 71.032 71.032 69.852 1.180 25067 11617 1 19 . 1 1 95 95 THR N N 95 119.923 119.923 120.498 -0.575 25067 11618 1 19 . 1 1 95 95 THR HA H 95 5.098 5.098 4.502 0.596 25067 11619 1 19 . 1 1 95 95 THR CA C 95 60.438 60.438 60.328 0.110 25067 11620 1 19 . 1 1 95 95 THR CB C 95 70.780 70.780 69.999 0.781 25067 11621 1 19 . 1 1 95 95 THR H H 95 8.762 8.762 8.461 0.301 25067 11622 1 19 . 1 1 96 96 THR HA H 96 4.367 4.367 4.664 -0.297 25067 11623 1 19 . 1 1 96 96 THR CA C 96 61.740 61.740 61.705 0.035 25067 11624 1 19 . 1 1 96 96 THR CB C 96 70.992 70.992 70.642 0.350 25067 11625 1 19 . 1 1 97 97 THR N N 97 120.315 120.315 120.084 0.231 25067 11626 1 19 . 1 1 97 97 THR HA H 97 5.363 5.363 4.821 0.542 25067 11627 1 19 . 1 1 97 97 THR CA C 97 61.379 61.379 61.600 -0.221 25067 11628 1 19 . 1 1 97 97 THR CB C 97 71.216 71.216 70.072 1.145 25067 11629 1 19 . 1 1 97 97 THR H H 97 8.999 8.999 8.519 0.480 25067 11630 1 19 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.756 0.436 25067 11631 1 19 . 1 1 98 98 ASP C C 98 175.672 175.672 176.455 -0.783 25067 11632 1 19 . 1 1 98 98 ASP CA C 98 52.593 52.593 53.773 -1.180 25067 11633 1 19 . 1 1 98 98 ASP CB C 98 41.735 41.735 42.608 -0.873 25067 11634 1 19 . 1 1 99 99 GLY N N 99 111.919 111.919 109.289 2.630 25067 11635 1 19 . 1 1 99 99 GLY C C 99 174.049 174.049 174.258 -0.209 25067 11636 1 19 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.340 -1.314 25067 11637 1 19 . 1 1 99 99 GLY H H 99 7.817 7.817 8.611 -0.794 25067 11638 1 19 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.819 -0.265 25067 11639 1 19 . 1 1 100 100 ASP C C 100 177.518 177.518 175.608 1.910 25067 11640 1 19 . 1 1 100 100 ASP CA C 100 57.488 57.488 55.147 2.341 25067 11641 1 19 . 1 1 100 100 ASP CB C 100 41.637 41.637 42.510 -0.873 25067 11642 1 19 . 1 1 101 101 THR N N 101 112.835 112.835 117.800 -4.965 25067 11643 1 19 . 1 1 101 101 THR HA H 101 4.613 4.613 4.854 -0.241 25067 11644 1 19 . 1 1 101 101 THR C C 101 173.003 173.003 173.690 -0.687 25067 11645 1 19 . 1 1 101 101 THR CA C 101 60.857 60.857 62.711 -1.854 25067 11646 1 19 . 1 1 101 101 THR CB C 101 70.589 70.589 69.520 1.069 25067 11647 1 19 . 1 1 101 101 THR H H 101 7.819 7.819 7.796 0.023 25067 11648 1 19 . 1 1 102 102 PHE N N 102 126.633 126.633 129.493 -2.860 25067 11649 1 19 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.867 0.024 25067 11650 1 19 . 1 1 102 102 PHE C C 102 173.286 173.286 173.414 -0.128 25067 11651 1 19 . 1 1 102 102 PHE CA C 102 57.173 57.173 56.899 0.274 25067 11652 1 19 . 1 1 102 102 PHE CB C 102 40.719 40.719 40.747 -0.028 25067 11653 1 19 . 1 1 102 102 PHE H H 102 8.581 8.581 8.836 -0.255 25067 11654 1 19 . 1 1 103 103 GLU N N 103 125.528 125.528 129.645 -4.117 25067 11655 1 19 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.078 0.159 25067 11656 1 19 . 1 1 103 103 GLU C C 103 173.851 173.851 174.457 -0.606 25067 11657 1 19 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.367 -0.307 25067 11658 1 19 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.313 1.005 25067 11659 1 19 . 1 1 103 103 GLU H H 103 7.986 7.986 8.693 -0.707 25067 11660 1 19 . 1 1 104 104 VAL N N 104 124.582 124.582 127.685 -3.103 25067 11661 1 19 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.472 0.172 25067 11662 1 19 . 1 1 104 104 VAL C C 104 173.763 173.763 174.889 -1.126 25067 11663 1 19 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.234 -1.271 25067 11664 1 19 . 1 1 104 104 VAL CB C 104 34.370 34.370 32.979 1.391 25067 11665 1 19 . 1 1 104 104 VAL H H 104 9.245 9.245 8.742 0.503 25067 11666 1 19 . 1 1 105 105 GLU N N 105 127.755 127.755 129.065 -1.310 25067 11667 1 19 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.830 0.422 25067 11668 1 19 . 1 1 105 105 GLU C C 105 174.572 174.572 175.261 -0.689 25067 11669 1 19 . 1 1 105 105 GLU CA C 105 54.359 54.359 55.146 -0.787 25067 11670 1 19 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.200 1.618 25067 11671 1 19 . 1 1 105 105 GLU H H 105 9.040 9.040 8.639 0.401 25067 11672 1 19 . 1 1 106 106 VAL N N 106 127.452 127.452 125.977 1.475 25067 11673 1 19 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.096 0.672 25067 11674 1 19 . 1 1 106 106 VAL C C 106 174.692 174.692 174.972 -0.280 25067 11675 1 19 . 1 1 106 106 VAL CA C 106 60.423 60.423 62.171 -1.748 25067 11676 1 19 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.852 2.290 25067 11677 1 19 . 1 1 106 106 VAL H H 106 9.315 9.315 8.597 0.718 25067 11678 1 19 . 1 1 107 107 ILE N N 107 127.006 127.006 129.372 -2.366 25067 11679 1 19 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.217 0.400 25067 11680 1 19 . 1 1 107 107 ILE C C 107 176.187 176.187 174.517 1.670 25067 11681 1 19 . 1 1 107 107 ILE CA C 107 60.406 60.406 59.227 1.179 25067 11682 1 19 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.448 2.073 25067 11683 1 19 . 1 1 107 107 ILE H H 107 8.814 8.814 8.086 0.728 25067 11684 1 19 . 1 1 108 108 LEU N N 108 128.313 128.313 128.472 -0.159 25067 11685 1 19 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.624 0.133 25067 11686 1 19 . 1 1 108 108 LEU C C 108 176.058 176.058 175.429 0.629 25067 11687 1 19 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.637 0.487 25067 11688 1 19 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.785 1.289 25067 11689 1 19 . 1 1 108 108 LEU H H 108 8.652 8.652 8.145 0.507 25067 11690 1 19 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.586 -0.054 25067 11691 1 19 . 1 1 109 109 GLU C C 109 175.408 175.408 175.707 -0.299 25067 11692 1 19 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.123 0.238 25067 11693 1 19 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.845 0.802 25067 11694 1 19 . 1 1 110 110 LEU N N 110 125.467 125.467 127.438 -1.971 25067 11695 1 19 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.785 -0.384 25067 11696 1 19 . 1 1 110 110 LEU C C 110 176.854 176.854 177.986 -1.132 25067 11697 1 19 . 1 1 110 110 LEU CA C 110 54.969 54.969 53.061 1.908 25067 11698 1 19 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.187 0.328 25067 11699 1 19 . 1 1 110 110 LEU H H 110 8.402 8.402 8.438 -0.036 25067 11700 1 19 . 1 1 111 111 GLU N N 111 121.575 121.575 122.102 -0.527 25067 11701 1 19 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.284 -0.023 25067 11702 1 19 . 1 1 111 111 GLU CA C 111 56.521 56.521 57.081 -0.560 25067 11703 1 19 . 1 1 111 111 GLU CB C 111 30.291 30.291 29.463 0.828 25067 11704 1 19 . 1 1 111 111 GLU H H 111 8.607 8.607 8.805 -0.198 25067 11705 1 20 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.384 -0.264 25067 11706 1 20 . 1 1 2 2 ALA CA C 2 52.161 52.161 51.850 0.311 25067 11707 1 20 . 1 1 2 2 ALA CB C 2 19.392 19.392 19.457 -0.065 25067 11708 1 20 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.198 0.180 25067 11709 1 20 . 1 1 4 4 LYS C C 4 176.563 176.563 176.857 -0.294 25067 11710 1 20 . 1 1 4 4 LYS CA C 4 56.384 56.384 57.376 -0.992 25067 11711 1 20 . 1 1 4 4 LYS CB C 4 33.156 33.156 33.074 0.082 25067 11712 1 20 . 1 1 5 5 GLU N N 5 122.511 122.511 117.790 4.721 25067 11713 1 20 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.421 -0.044 25067 11714 1 20 . 1 1 5 5 GLU C C 5 176.099 176.099 176.341 -0.242 25067 11715 1 20 . 1 1 5 5 GLU CA C 5 56.384 56.384 55.189 1.195 25067 11716 1 20 . 1 1 5 5 GLU CB C 5 29.803 29.803 30.208 -0.405 25067 11717 1 20 . 1 1 5 5 GLU H H 5 8.601 8.601 8.392 0.209 25067 11718 1 20 . 1 1 6 6 LEU N N 6 124.063 124.063 123.959 0.104 25067 11719 1 20 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.483 -0.084 25067 11720 1 20 . 1 1 6 6 LEU C C 6 175.082 175.082 176.575 -1.493 25067 11721 1 20 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.444 0.281 25067 11722 1 20 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.424 0.789 25067 11723 1 20 . 1 1 6 6 LEU H H 6 8.409 8.409 8.823 -0.414 25067 11724 1 20 . 1 1 7 7 ARG N N 7 122.244 122.244 125.020 -2.776 25067 11725 1 20 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.432 0.013 25067 11726 1 20 . 1 1 7 7 ARG C C 7 174.768 174.768 175.660 -0.892 25067 11727 1 20 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.532 -0.843 25067 11728 1 20 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.335 1.755 25067 11729 1 20 . 1 1 7 7 ARG H H 7 8.016 8.016 8.199 -0.183 25067 11730 1 20 . 1 1 8 8 VAL N N 8 123.767 123.767 119.406 4.361 25067 11731 1 20 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.950 -0.658 25067 11732 1 20 . 1 1 8 8 VAL C C 8 173.562 173.562 174.935 -1.373 25067 11733 1 20 . 1 1 8 8 VAL CA C 8 60.842 60.842 60.220 0.622 25067 11734 1 20 . 1 1 8 8 VAL CB C 8 34.184 34.184 34.036 0.148 25067 11735 1 20 . 1 1 8 8 VAL H H 8 8.659 8.659 8.253 0.406 25067 11736 1 20 . 1 1 9 9 GLU N N 9 127.779 127.779 127.320 0.459 25067 11737 1 20 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.737 0.153 25067 11738 1 20 . 1 1 9 9 GLU C C 9 175.446 175.446 175.152 0.294 25067 11739 1 20 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.893 0.590 25067 11740 1 20 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.950 -0.199 25067 11741 1 20 . 1 1 9 9 GLU H H 9 8.513 8.513 8.769 -0.256 25067 11742 1 20 . 1 1 10 10 ILE N N 10 127.770 127.770 125.948 1.822 25067 11743 1 20 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.357 0.543 25067 11744 1 20 . 1 1 10 10 ILE C C 10 174.981 174.981 175.477 -0.496 25067 11745 1 20 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.431 -1.006 25067 11746 1 20 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.029 1.616 25067 11747 1 20 . 1 1 10 10 ILE H H 10 9.199 9.199 8.032 1.167 25067 11748 1 20 . 1 1 11 11 LYS N N 11 125.866 125.866 129.625 -3.759 25067 11749 1 20 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.135 0.303 25067 11750 1 20 . 1 1 11 11 LYS C C 11 175.835 175.835 175.200 0.635 25067 11751 1 20 . 1 1 11 11 LYS CA C 11 54.817 54.817 55.069 -0.252 25067 11752 1 20 . 1 1 11 11 LYS CB C 11 35.060 35.060 34.358 0.702 25067 11753 1 20 . 1 1 11 11 LYS H H 11 9.257 9.257 8.846 0.411 25067 11754 1 20 . 1 1 12 12 ILE N N 12 121.799 121.799 125.505 -3.706 25067 11755 1 20 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.274 1.025 25067 11756 1 20 . 1 1 12 12 ILE C C 12 175.132 175.132 174.898 0.234 25067 11757 1 20 . 1 1 12 12 ILE CA C 12 59.134 59.134 59.089 0.045 25067 11758 1 20 . 1 1 12 12 ILE CB C 12 39.666 39.666 37.116 2.550 25067 11759 1 20 . 1 1 12 12 ILE H H 12 9.075 9.075 8.572 0.503 25067 11760 1 20 . 1 1 13 13 ASP N N 13 129.263 129.263 128.870 0.393 25067 11761 1 20 . 1 1 13 13 ASP HA H 13 5.209 5.209 5.007 0.202 25067 11762 1 20 . 1 1 13 13 ASP C C 13 175.898 175.898 176.680 -0.782 25067 11763 1 20 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.006 -0.275 25067 11764 1 20 . 1 1 13 13 ASP CB C 13 43.750 43.750 40.830 2.921 25067 11765 1 20 . 1 1 13 13 ASP H H 13 9.415 9.415 8.219 1.196 25067 11766 1 20 . 1 1 14 14 CYS N N 14 122.767 122.767 123.490 -0.723 25067 11767 1 20 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.861 0.071 25067 11768 1 20 . 1 1 14 14 CYS C C 14 174.228 174.228 176.097 -1.869 25067 11769 1 20 . 1 1 14 14 CYS CA C 14 58.269 58.269 56.642 1.627 25067 11770 1 20 . 1 1 14 14 CYS CB C 14 28.447 28.447 26.402 2.045 25067 11771 1 20 . 1 1 14 14 CYS H H 14 9.274 9.274 8.539 0.735 25067 11772 1 20 . 1 1 15 15 GLY N N 15 110.606 110.606 110.967 -0.361 25067 11773 1 20 . 1 1 15 15 GLY C C 15 173.986 173.986 173.925 0.061 25067 11774 1 20 . 1 1 15 15 GLY CA C 15 45.892 45.892 46.110 -0.218 25067 11775 1 20 . 1 1 15 15 GLY H H 15 8.919 8.919 8.340 0.579 25067 11776 1 20 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.704 0.092 25067 11777 1 20 . 1 1 16 16 ASN C C 16 175.157 175.157 175.328 -0.171 25067 11778 1 20 . 1 1 16 16 ASN CA C 16 53.181 53.181 51.660 1.520 25067 11779 1 20 . 1 1 16 16 ASN CB C 16 38.955 38.955 37.702 1.254 25067 11780 1 20 . 1 1 17 17 ASP N N 17 118.767 118.767 122.833 -4.066 25067 11781 1 20 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.607 -0.018 25067 11782 1 20 . 1 1 17 17 ASP C C 17 175.493 175.493 176.506 -1.013 25067 11783 1 20 . 1 1 17 17 ASP CA C 17 54.533 54.533 56.376 -1.843 25067 11784 1 20 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.387 -0.395 25067 11785 1 20 . 1 1 17 17 ASP H H 17 8.409 8.409 8.203 0.206 25067 11786 1 20 . 1 1 18 18 ASP N N 18 119.912 119.912 118.060 1.852 25067 11787 1 20 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.736 -0.130 25067 11788 1 20 . 1 1 18 18 ASP C C 18 175.870 175.870 174.725 1.145 25067 11789 1 20 . 1 1 18 18 ASP CA C 18 54.242 54.242 54.086 0.156 25067 11790 1 20 . 1 1 18 18 ASP CB C 18 41.116 41.116 40.619 0.497 25067 11791 1 20 . 1 1 18 18 ASP H H 18 8.291 8.291 8.458 -0.167 25067 11792 1 20 . 1 1 19 19 LYS N N 19 120.828 120.828 120.409 0.419 25067 11793 1 20 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.365 0.074 25067 11794 1 20 . 1 1 19 19 LYS C C 19 176.121 176.121 174.760 1.361 25067 11795 1 20 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.650 -0.004 25067 11796 1 20 . 1 1 19 19 LYS CB C 19 33.015 33.015 34.647 -1.632 25067 11797 1 20 . 1 1 19 19 LYS H H 19 8.140 8.140 7.587 0.553 25067 11798 1 20 . 1 1 20 20 GLU N N 20 123.292 123.292 126.825 -3.533 25067 11799 1 20 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.374 0.166 25067 11800 1 20 . 1 1 20 20 GLU C C 20 176.413 176.413 175.554 0.859 25067 11801 1 20 . 1 1 20 20 GLU CA C 20 56.518 56.518 55.978 0.540 25067 11802 1 20 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.723 0.820 25067 11803 1 20 . 1 1 20 20 GLU H H 20 8.645 8.645 8.575 0.070 25067 11804 1 20 . 1 1 21 21 THR N N 21 119.747 119.747 123.649 -3.902 25067 11805 1 20 . 1 1 21 21 THR HA H 21 4.517 4.517 4.529 -0.012 25067 11806 1 20 . 1 1 21 21 THR C C 21 173.148 173.148 172.998 0.150 25067 11807 1 20 . 1 1 21 21 THR CA C 21 61.989 61.989 61.579 0.410 25067 11808 1 20 . 1 1 21 21 THR CB C 21 70.485 70.485 69.658 0.827 25067 11809 1 20 . 1 1 21 21 THR H H 21 8.589 8.589 8.433 0.156 25067 11810 1 20 . 1 1 22 22 THR N N 22 119.539 119.539 117.935 1.604 25067 11811 1 20 . 1 1 22 22 THR HA H 22 5.342 5.342 5.248 0.094 25067 11812 1 20 . 1 1 22 22 THR C C 22 173.148 173.148 173.416 -0.268 25067 11813 1 20 . 1 1 22 22 THR CA C 22 60.977 60.977 60.099 0.878 25067 11814 1 20 . 1 1 22 22 THR CB C 22 70.490 70.490 71.062 -0.572 25067 11815 1 20 . 1 1 22 22 THR H H 22 8.191 8.191 8.266 -0.075 25067 11816 1 20 . 1 1 23 23 TYR N N 23 123.279 123.279 123.593 -0.314 25067 11817 1 20 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.598 0.056 25067 11818 1 20 . 1 1 23 23 TYR C C 23 173.400 173.400 175.113 -1.713 25067 11819 1 20 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.337 -0.355 25067 11820 1 20 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.230 2.088 25067 11821 1 20 . 1 1 23 23 TYR H H 23 9.268 9.268 8.280 0.988 25067 11822 1 20 . 1 1 24 24 ASP N N 24 121.837 121.837 125.169 -3.332 25067 11823 1 20 . 1 1 24 24 ASP HA H 24 4.844 4.844 4.831 0.013 25067 11824 1 20 . 1 1 24 24 ASP C C 24 173.400 173.400 175.213 -1.813 25067 11825 1 20 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.994 -0.525 25067 11826 1 20 . 1 1 24 24 ASP CB C 24 41.941 41.941 42.477 -0.536 25067 11827 1 20 . 1 1 24 24 ASP H H 24 8.484 8.484 8.662 -0.178 25067 11828 1 20 . 1 1 25 25 LEU N N 25 126.268 126.268 120.135 6.133 25067 11829 1 20 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.621 -0.521 25067 11830 1 20 . 1 1 25 25 LEU C C 25 174.677 174.677 173.961 0.716 25067 11831 1 20 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.448 -0.715 25067 11832 1 20 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.460 -1.834 25067 11833 1 20 . 1 1 25 25 LEU H H 25 8.619 8.619 7.932 0.687 25067 11834 1 20 . 1 1 26 26 TYR N N 26 123.695 123.695 117.431 6.264 25067 11835 1 20 . 1 1 26 26 TYR HA H 26 4.635 4.635 5.085 -0.450 25067 11836 1 20 . 1 1 26 26 TYR C C 26 176.833 176.833 175.579 1.254 25067 11837 1 20 . 1 1 26 26 TYR CA C 26 56.282 56.282 56.536 -0.254 25067 11838 1 20 . 1 1 26 26 TYR CB C 26 38.143 38.143 40.486 -2.343 25067 11839 1 20 . 1 1 26 26 TYR H H 26 8.465 8.465 8.208 0.257 25067 11840 1 20 . 1 1 27 27 PHE N N 27 119.951 119.951 126.620 -6.669 25067 11841 1 20 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.410 0.376 25067 11842 1 20 . 1 1 27 27 PHE C C 27 176.205 176.205 175.321 0.884 25067 11843 1 20 . 1 1 27 27 PHE CA C 27 60.136 60.136 58.274 1.862 25067 11844 1 20 . 1 1 27 27 PHE CB C 27 38.455 38.455 38.159 0.296 25067 11845 1 20 . 1 1 27 27 PHE H H 27 7.991 7.991 8.975 -0.984 25067 11846 1 20 . 1 1 28 28 SER N N 28 114.987 114.987 121.061 -6.074 25067 11847 1 20 . 1 1 28 28 SER HA H 28 4.455 4.455 4.369 0.086 25067 11848 1 20 . 1 1 28 28 SER C C 28 174.517 174.517 173.620 0.897 25067 11849 1 20 . 1 1 28 28 SER CA C 28 59.489 59.489 59.096 0.393 25067 11850 1 20 . 1 1 28 28 SER CB C 28 62.828 62.828 63.888 -1.060 25067 11851 1 20 . 1 1 28 28 SER H H 28 8.508 8.508 8.351 0.157 25067 11852 1 20 . 1 1 29 29 LYS N N 29 123.721 123.721 118.474 5.247 25067 11853 1 20 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.017 0.636 25067 11854 1 20 . 1 1 29 29 LYS C C 29 175.954 175.954 174.332 1.622 25067 11855 1 20 . 1 1 29 29 LYS CA C 29 54.695 54.695 55.740 -1.045 25067 11856 1 20 . 1 1 29 29 LYS CB C 29 31.548 31.548 34.103 -2.555 25067 11857 1 20 . 1 1 29 29 LYS H H 29 7.723 7.723 6.847 0.876 25067 11858 1 20 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.146 -0.074 25067 11859 1 20 . 1 1 30 30 ALA CA C 30 55.547 55.547 55.281 0.266 25067 11860 1 20 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.452 0.319 25067 11861 1 20 . 1 1 31 31 GLU N N 31 117.703 117.703 118.460 -0.757 25067 11862 1 20 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.093 0.085 25067 11863 1 20 . 1 1 31 31 GLU C C 31 179.251 179.251 178.979 0.272 25067 11864 1 20 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.316 0.280 25067 11865 1 20 . 1 1 31 31 GLU CB C 31 28.599 28.599 28.719 -0.120 25067 11866 1 20 . 1 1 31 31 GLU H H 31 9.034 9.034 8.806 0.228 25067 11867 1 20 . 1 1 32 32 GLU N N 32 121.084 121.084 119.183 1.901 25067 11868 1 20 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.056 0.129 25067 11869 1 20 . 1 1 32 32 GLU C C 32 179.251 179.251 178.564 0.687 25067 11870 1 20 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.714 0.503 25067 11871 1 20 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.207 0.124 25067 11872 1 20 . 1 1 32 32 GLU H H 32 8.046 8.046 8.391 -0.345 25067 11873 1 20 . 1 1 33 33 ALA N N 33 122.906 122.906 122.238 0.668 25067 11874 1 20 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.988 0.102 25067 11875 1 20 . 1 1 33 33 ALA C C 33 180.244 180.244 179.520 0.724 25067 11876 1 20 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.153 0.367 25067 11877 1 20 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.191 -0.223 25067 11878 1 20 . 1 1 33 33 ALA H H 33 8.383 8.383 7.968 0.415 25067 11879 1 20 . 1 1 34 34 LYS N N 34 119.560 119.560 119.025 0.535 25067 11880 1 20 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.132 0.058 25067 11881 1 20 . 1 1 34 34 LYS C C 34 179.198 179.198 178.302 0.896 25067 11882 1 20 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.699 -0.218 25067 11883 1 20 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.331 0.121 25067 11884 1 20 . 1 1 34 34 LYS H H 34 7.885 7.885 7.926 -0.041 25067 11885 1 20 . 1 1 35 35 GLU N N 35 121.053 121.053 120.064 0.989 25067 11886 1 20 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.118 0.063 25067 11887 1 20 . 1 1 35 35 GLU C C 35 179.288 179.288 178.963 0.325 25067 11888 1 20 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.336 0.055 25067 11889 1 20 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.594 -0.250 25067 11890 1 20 . 1 1 35 35 GLU H H 35 8.042 8.042 7.679 0.363 25067 11891 1 20 . 1 1 36 36 LEU N N 36 121.053 121.053 120.128 0.925 25067 11892 1 20 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.196 0.041 25067 11893 1 20 . 1 1 36 36 LEU C C 36 177.982 177.982 179.530 -1.548 25067 11894 1 20 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.416 0.320 25067 11895 1 20 . 1 1 36 36 LEU CB C 36 41.941 41.941 40.968 0.973 25067 11896 1 20 . 1 1 36 36 LEU H H 36 8.434 8.434 7.658 0.776 25067 11897 1 20 . 1 1 37 37 LEU N N 37 120.035 120.035 121.095 -1.060 25067 11898 1 20 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.836 -0.220 25067 11899 1 20 . 1 1 37 37 LEU C C 37 178.070 178.070 178.302 -0.232 25067 11900 1 20 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.679 0.870 25067 11901 1 20 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.730 0.418 25067 11902 1 20 . 1 1 37 37 LEU H H 37 7.883 7.883 8.639 -0.756 25067 11903 1 20 . 1 1 38 38 LYS N N 38 116.604 116.604 119.020 -2.416 25067 11904 1 20 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.828 -0.032 25067 11905 1 20 . 1 1 38 38 LYS C C 38 178.246 178.246 178.646 -0.400 25067 11906 1 20 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.803 -0.288 25067 11907 1 20 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.312 0.283 25067 11908 1 20 . 1 1 38 38 LYS H H 38 7.102 7.102 7.744 -0.642 25067 11909 1 20 . 1 1 39 39 LYS N N 39 118.823 118.823 119.481 -0.658 25067 11910 1 20 . 1 1 39 39 LYS HA H 39 4.155 4.155 3.996 0.159 25067 11911 1 20 . 1 1 39 39 LYS C C 39 179.464 179.464 178.973 0.491 25067 11912 1 20 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.556 -0.430 25067 11913 1 20 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.384 0.310 25067 11914 1 20 . 1 1 39 39 LYS H H 39 7.752 7.752 7.846 -0.094 25067 11915 1 20 . 1 1 40 40 VAL N N 40 119.336 119.336 119.191 0.145 25067 11916 1 20 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.345 0.008 25067 11917 1 20 . 1 1 40 40 VAL C C 40 178.612 178.612 177.913 0.699 25067 11918 1 20 . 1 1 40 40 VAL CA C 40 66.336 66.336 65.905 0.431 25067 11919 1 20 . 1 1 40 40 VAL CB C 40 31.152 31.152 30.868 0.284 25067 11920 1 20 . 1 1 40 40 VAL H H 40 8.925 8.925 7.881 1.044 25067 11921 1 20 . 1 1 41 41 ALA N N 41 120.709 120.709 122.014 -1.305 25067 11922 1 20 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.869 0.026 25067 11923 1 20 . 1 1 41 41 ALA C C 41 179.163 179.163 179.836 -0.673 25067 11924 1 20 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.180 -0.155 25067 11925 1 20 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.321 0.374 25067 11926 1 20 . 1 1 41 41 ALA H H 41 8.001 8.001 7.794 0.207 25067 11927 1 20 . 1 1 42 42 GLU N N 42 117.330 117.330 117.902 -0.572 25067 11928 1 20 . 1 1 42 42 GLU HA H 42 3.936 3.936 3.976 -0.040 25067 11929 1 20 . 1 1 42 42 GLU C C 42 179.452 179.452 179.183 0.269 25067 11930 1 20 . 1 1 42 42 GLU CA C 42 59.611 59.611 58.955 0.656 25067 11931 1 20 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.668 0.071 25067 11932 1 20 . 1 1 42 42 GLU H H 42 8.197 8.197 7.979 0.218 25067 11933 1 20 . 1 1 43 43 LYS N N 43 119.586 119.586 118.537 1.049 25067 11934 1 20 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.522 -0.324 25067 11935 1 20 . 1 1 43 43 LYS C C 43 179.595 179.595 178.934 0.661 25067 11936 1 20 . 1 1 43 43 LYS CA C 43 58.769 58.769 57.586 1.183 25067 11937 1 20 . 1 1 43 43 LYS CB C 43 32.071 32.071 31.910 0.161 25067 11938 1 20 . 1 1 43 43 LYS H H 43 8.119 8.119 8.118 0.001 25067 11939 1 20 . 1 1 44 44 ALA N N 44 121.948 121.948 121.359 0.589 25067 11940 1 20 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.146 0.120 25067 11941 1 20 . 1 1 44 44 ALA C C 44 178.937 178.937 178.978 -0.041 25067 11942 1 20 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.688 0.302 25067 11943 1 20 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.303 -0.502 25067 11944 1 20 . 1 1 44 44 ALA H H 44 8.396 8.396 7.974 0.422 25067 11945 1 20 . 1 1 45 45 ALA N N 45 118.814 118.814 120.850 -2.036 25067 11946 1 20 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.946 0.011 25067 11947 1 20 . 1 1 45 45 ALA C C 45 178.887 178.887 179.541 -0.654 25067 11948 1 20 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.991 0.577 25067 11949 1 20 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.055 -0.028 25067 11950 1 20 . 1 1 45 45 ALA H H 45 8.519 8.519 7.871 0.648 25067 11951 1 20 . 1 1 46 46 ASP N N 46 116.930 116.930 118.812 -1.882 25067 11952 1 20 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.365 0.034 25067 11953 1 20 . 1 1 46 46 ASP C C 46 178.020 178.020 178.689 -0.669 25067 11954 1 20 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.439 0.201 25067 11955 1 20 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.295 1.541 25067 11956 1 20 . 1 1 46 46 ASP H H 46 7.852 7.852 8.022 -0.170 25067 11957 1 20 . 1 1 47 47 LYS N N 47 119.467 119.467 119.580 -0.113 25067 11958 1 20 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.186 -0.093 25067 11959 1 20 . 1 1 47 47 LYS C C 47 178.924 178.924 179.132 -0.208 25067 11960 1 20 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.631 1.041 25067 11961 1 20 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.175 0.336 25067 11962 1 20 . 1 1 47 47 LYS H H 47 7.692 7.692 7.580 0.112 25067 11963 1 20 . 1 1 48 48 ILE N N 48 119.929 119.929 118.475 1.454 25067 11964 1 20 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.882 -0.142 25067 11965 1 20 . 1 1 48 48 ILE C C 48 179.025 179.025 177.788 1.237 25067 11966 1 20 . 1 1 48 48 ILE CA C 48 64.978 64.978 63.101 1.877 25067 11967 1 20 . 1 1 48 48 ILE CB C 48 38.292 38.292 36.698 1.594 25067 11968 1 20 . 1 1 48 48 ILE H H 48 8.585 8.585 7.827 0.758 25067 11969 1 20 . 1 1 49 49 LYS N N 49 119.534 119.534 120.416 -0.882 25067 11970 1 20 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.069 -0.052 25067 11971 1 20 . 1 1 49 49 LYS C C 49 179.025 179.025 178.483 0.542 25067 11972 1 20 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.919 0.728 25067 11973 1 20 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.487 0.114 25067 11974 1 20 . 1 1 49 49 LYS H H 49 8.353 8.353 7.960 0.393 25067 11975 1 20 . 1 1 50 50 LYS N N 50 117.423 117.423 116.737 0.686 25067 11976 1 20 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.118 0.098 25067 11977 1 20 . 1 1 50 50 LYS C C 50 178.510 178.510 178.327 0.183 25067 11978 1 20 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.398 0.099 25067 11979 1 20 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.078 0.244 25067 11980 1 20 . 1 1 50 50 LYS H H 50 7.996 7.996 7.806 0.190 25067 11981 1 20 . 1 1 51 51 GLN N N 51 115.137 115.137 116.016 -0.879 25067 11982 1 20 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.431 0.050 25067 11983 1 20 . 1 1 51 51 GLN C C 51 177.292 177.292 176.288 1.004 25067 11984 1 20 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.873 0.134 25067 11985 1 20 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.312 -1.372 25067 11986 1 20 . 1 1 51 51 GLN H H 51 8.384 8.384 7.696 0.688 25067 11987 1 20 . 1 1 52 52 GLY N N 52 109.119 109.119 110.722 -1.603 25067 11988 1 20 . 1 1 52 52 GLY C C 52 174.391 174.391 174.270 0.121 25067 11989 1 20 . 1 1 52 52 GLY CA C 52 46.560 46.560 44.842 1.718 25067 11990 1 20 . 1 1 52 52 GLY H H 52 8.218 8.218 7.822 0.396 25067 11991 1 20 . 1 1 53 53 CYS N N 53 116.935 116.935 121.512 -4.577 25067 11992 1 20 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.309 0.176 25067 11993 1 20 . 1 1 53 53 CYS C C 53 173.989 173.989 176.009 -2.020 25067 11994 1 20 . 1 1 53 53 CYS CA C 53 58.148 58.148 58.624 -0.476 25067 11995 1 20 . 1 1 53 53 CYS CB C 53 28.714 28.714 25.388 3.326 25067 11996 1 20 . 1 1 53 53 CYS H H 53 7.623 7.623 8.531 -0.908 25067 11997 1 20 . 1 1 54 54 LYS N N 54 120.659 120.659 121.952 -1.293 25067 11998 1 20 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.389 0.111 25067 11999 1 20 . 1 1 54 54 LYS C C 54 174.793 174.793 175.878 -1.085 25067 12000 1 20 . 1 1 54 54 LYS CA C 54 56.326 56.326 57.529 -1.202 25067 12001 1 20 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.647 1.063 25067 12002 1 20 . 1 1 54 54 LYS H H 54 8.765 8.765 8.272 0.493 25067 12003 1 20 . 1 1 55 55 ARG N N 55 117.927 117.927 116.707 1.220 25067 12004 1 20 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.785 0.658 25067 12005 1 20 . 1 1 55 55 ARG C C 55 174.517 174.517 173.692 0.825 25067 12006 1 20 . 1 1 55 55 ARG CA C 55 54.589 54.589 54.846 -0.258 25067 12007 1 20 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.788 0.828 25067 12008 1 20 . 1 1 55 55 ARG H H 55 7.603 7.603 7.586 0.017 25067 12009 1 20 . 1 1 56 56 VAL N N 56 122.079 122.079 123.405 -1.326 25067 12010 1 20 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.501 0.324 25067 12011 1 20 . 1 1 56 56 VAL C C 56 173.311 173.311 175.019 -1.708 25067 12012 1 20 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.989 -0.704 25067 12013 1 20 . 1 1 56 56 VAL CB C 56 34.930 34.930 35.944 -1.014 25067 12014 1 20 . 1 1 56 56 VAL H H 56 8.853 8.853 8.683 0.170 25067 12015 1 20 . 1 1 57 57 LYS N N 57 125.849 125.849 126.140 -0.291 25067 12016 1 20 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.690 0.914 25067 12017 1 20 . 1 1 57 57 LYS C C 57 174.881 174.881 174.922 -0.041 25067 12018 1 20 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.439 -0.701 25067 12019 1 20 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.579 1.356 25067 12020 1 20 . 1 1 57 57 LYS H H 57 8.819 8.819 8.970 -0.151 25067 12021 1 20 . 1 1 58 58 ILE N N 58 125.213 125.213 126.075 -0.862 25067 12022 1 20 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.433 0.734 25067 12023 1 20 . 1 1 58 58 ILE C C 58 174.981 174.981 175.058 -0.077 25067 12024 1 20 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.739 -0.143 25067 12025 1 20 . 1 1 58 58 ILE CB C 58 40.859 40.859 38.938 1.921 25067 12026 1 20 . 1 1 58 58 ILE H H 58 9.204 9.204 8.703 0.501 25067 12027 1 20 . 1 1 59 59 ARG N N 59 124.047 124.047 127.240 -3.193 25067 12028 1 20 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.009 1.092 25067 12029 1 20 . 1 1 59 59 ARG C C 59 175.144 175.144 174.583 0.561 25067 12030 1 20 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.744 -0.653 25067 12031 1 20 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.664 2.371 25067 12032 1 20 . 1 1 59 59 ARG H H 59 9.467 9.467 8.852 0.615 25067 12033 1 20 . 1 1 60 60 PHE N N 60 113.223 113.223 123.386 -10.163 25067 12034 1 20 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.188 0.016 25067 12035 1 20 . 1 1 60 60 PHE C C 60 173.110 173.110 173.482 -0.372 25067 12036 1 20 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.535 0.396 25067 12037 1 20 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.777 -1.397 25067 12038 1 20 . 1 1 60 60 PHE H H 60 8.451 8.451 8.535 -0.084 25067 12039 1 20 . 1 1 61 61 GLU N N 61 121.333 121.333 125.518 -4.185 25067 12040 1 20 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.226 0.418 25067 12041 1 20 . 1 1 61 61 GLU C C 61 177.147 177.147 174.840 2.307 25067 12042 1 20 . 1 1 61 61 GLU CA C 61 55.965 55.965 55.994 -0.029 25067 12043 1 20 . 1 1 61 61 GLU CB C 61 30.698 30.698 29.978 0.720 25067 12044 1 20 . 1 1 61 61 GLU H H 61 9.572 9.572 7.794 1.778 25067 12045 1 20 . 1 1 62 62 LYS N N 62 121.311 121.311 127.809 -6.498 25067 12046 1 20 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.321 0.022 25067 12047 1 20 . 1 1 62 62 LYS C C 62 177.398 177.398 174.630 2.768 25067 12048 1 20 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.205 2.980 25067 12049 1 20 . 1 1 62 62 LYS CB C 62 32.937 32.937 32.953 -0.016 25067 12050 1 20 . 1 1 62 62 LYS H H 62 8.160 8.160 8.479 -0.319 25067 12051 1 20 . 1 1 63 63 LYS N N 63 120.742 120.742 124.554 -3.812 25067 12052 1 20 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.361 -0.243 25067 12053 1 20 . 1 1 63 63 LYS C C 63 177.015 177.015 177.137 -0.122 25067 12054 1 20 . 1 1 63 63 LYS CA C 63 58.693 58.693 56.811 1.882 25067 12055 1 20 . 1 1 63 63 LYS CB C 63 31.677 31.677 33.196 -1.519 25067 12056 1 20 . 1 1 63 63 LYS H H 63 8.028 8.028 8.289 -0.261 25067 12057 1 20 . 1 1 64 64 GLY C C 64 174.039 174.039 174.241 -0.202 25067 12058 1 20 . 1 1 64 64 GLY CA C 64 44.863 44.863 44.676 0.187 25067 12059 1 20 . 1 1 65 65 LEU N N 65 119.849 119.849 119.782 0.067 25067 12060 1 20 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.541 0.083 25067 12061 1 20 . 1 1 65 65 LEU C C 65 177.493 177.493 176.265 1.228 25067 12062 1 20 . 1 1 65 65 LEU CA C 65 54.128 54.128 54.943 -0.815 25067 12063 1 20 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.654 1.032 25067 12064 1 20 . 1 1 65 65 LEU H H 65 7.836 7.836 7.329 0.507 25067 12065 1 20 . 1 1 66 66 ASP N N 66 123.296 123.296 114.495 8.801 25067 12066 1 20 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.597 0.075 25067 12067 1 20 . 1 1 66 66 ASP C C 66 175.471 175.471 174.924 0.547 25067 12068 1 20 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.083 -1.263 25067 12069 1 20 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.833 -1.816 25067 12070 1 20 . 1 1 66 66 ASP H H 66 8.226 8.226 7.642 0.584 25067 12071 1 20 . 1 1 67 67 ASP N N 67 118.859 118.859 121.147 -2.288 25067 12072 1 20 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.297 -0.054 25067 12073 1 20 . 1 1 67 67 ASP C C 67 178.121 178.121 177.586 0.535 25067 12074 1 20 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.816 0.657 25067 12075 1 20 . 1 1 67 67 ASP CB C 67 41.067 41.067 40.969 0.098 25067 12076 1 20 . 1 1 67 67 ASP H H 67 8.529 8.529 8.682 -0.153 25067 12077 1 20 . 1 1 68 68 ASP N N 68 119.187 119.187 119.138 0.049 25067 12078 1 20 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.503 -0.163 25067 12079 1 20 . 1 1 68 68 ASP C C 68 177.807 177.807 177.797 0.010 25067 12080 1 20 . 1 1 68 68 ASP CA C 68 57.481 57.481 56.659 0.822 25067 12081 1 20 . 1 1 68 68 ASP CB C 68 41.459 41.459 41.186 0.273 25067 12082 1 20 . 1 1 68 68 ASP H H 68 8.244 8.244 7.987 0.257 25067 12083 1 20 . 1 1 69 69 ALA N N 69 122.537 122.537 122.161 0.376 25067 12084 1 20 . 1 1 69 69 ALA HA H 69 3.628 3.628 3.928 -0.300 25067 12085 1 20 . 1 1 69 69 ALA C C 69 179.452 179.452 179.342 0.110 25067 12086 1 20 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.862 0.154 25067 12087 1 20 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.312 0.851 25067 12088 1 20 . 1 1 69 69 ALA H H 69 8.191 8.191 7.980 0.211 25067 12089 1 20 . 1 1 70 70 ARG N N 70 115.799 115.799 117.793 -1.994 25067 12090 1 20 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.901 -0.178 25067 12091 1 20 . 1 1 70 70 ARG C C 70 178.183 178.183 177.752 0.431 25067 12092 1 20 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.517 0.831 25067 12093 1 20 . 1 1 70 70 ARG CB C 70 30.612 30.612 29.866 0.746 25067 12094 1 20 . 1 1 70 70 ARG H H 70 8.419 8.419 7.946 0.473 25067 12095 1 20 . 1 1 71 71 LYS N N 71 118.170 118.170 119.131 -0.961 25067 12096 1 20 . 1 1 71 71 LYS HA H 71 3.837 3.837 4.065 -0.228 25067 12097 1 20 . 1 1 71 71 LYS C C 71 179.891 179.891 179.090 0.801 25067 12098 1 20 . 1 1 71 71 LYS CA C 71 59.650 59.650 58.822 0.828 25067 12099 1 20 . 1 1 71 71 LYS CB C 71 32.419 32.419 31.910 0.508 25067 12100 1 20 . 1 1 71 71 LYS H H 71 7.781 7.781 7.450 0.331 25067 12101 1 20 . 1 1 72 72 LYS N N 72 119.730 119.730 118.597 1.133 25067 12102 1 20 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.161 -0.425 25067 12103 1 20 . 1 1 72 72 LYS C C 72 178.874 178.874 178.855 0.019 25067 12104 1 20 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.239 1.334 25067 12105 1 20 . 1 1 72 72 LYS CB C 72 32.393 32.393 32.022 0.371 25067 12106 1 20 . 1 1 72 72 LYS H H 72 7.835 7.835 7.931 -0.096 25067 12107 1 20 . 1 1 73 73 ALA N N 73 123.068 123.068 122.507 0.561 25067 12108 1 20 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.815 -0.060 25067 12109 1 20 . 1 1 73 73 ALA C C 73 178.246 178.246 179.199 -0.953 25067 12110 1 20 . 1 1 73 73 ALA CA C 73 55.350 55.350 55.107 0.243 25067 12111 1 20 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.925 -0.279 25067 12112 1 20 . 1 1 73 73 ALA H H 73 8.343 8.343 7.897 0.446 25067 12113 1 20 . 1 1 74 74 LYS N N 74 117.936 117.936 118.574 -0.638 25067 12114 1 20 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.509 0.135 25067 12115 1 20 . 1 1 74 74 LYS C C 74 177.694 177.694 178.923 -1.229 25067 12116 1 20 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.439 0.882 25067 12117 1 20 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.106 0.569 25067 12118 1 20 . 1 1 74 74 LYS H H 74 7.934 7.934 7.525 0.409 25067 12119 1 20 . 1 1 75 75 LYS N N 75 116.863 116.863 118.524 -1.661 25067 12120 1 20 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.068 -0.089 25067 12121 1 20 . 1 1 75 75 LYS C C 75 178.884 178.884 178.724 0.160 25067 12122 1 20 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.531 -0.122 25067 12123 1 20 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.305 0.192 25067 12124 1 20 . 1 1 75 75 LYS H H 75 7.371 7.371 7.433 -0.062 25067 12125 1 20 . 1 1 76 76 TRP N N 76 121.108 121.108 121.529 -0.421 25067 12126 1 20 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.207 -0.010 25067 12127 1 20 . 1 1 76 76 TRP C C 76 177.618 177.618 177.729 -0.111 25067 12128 1 20 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.581 0.145 25067 12129 1 20 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.382 0.611 25067 12130 1 20 . 1 1 76 76 TRP H H 76 8.156 8.156 8.110 0.046 25067 12131 1 20 . 1 1 77 77 ALA N N 77 120.099 120.099 120.716 -0.617 25067 12132 1 20 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.799 0.300 25067 12133 1 20 . 1 1 77 77 ALA C C 77 179.125 179.125 179.775 -0.650 25067 12134 1 20 . 1 1 77 77 ALA CA C 77 55.648 55.648 55.273 0.375 25067 12135 1 20 . 1 1 77 77 ALA CB C 77 18.319 18.319 17.951 0.368 25067 12136 1 20 . 1 1 77 77 ALA H H 77 8.883 8.883 8.145 0.738 25067 12137 1 20 . 1 1 78 78 LEU N N 78 116.584 116.584 118.006 -1.422 25067 12138 1 20 . 1 1 78 78 LEU HA H 78 4.131 4.131 4.098 0.033 25067 12139 1 20 . 1 1 78 78 LEU C C 78 179.828 179.828 179.143 0.685 25067 12140 1 20 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.217 0.626 25067 12141 1 20 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.826 -0.128 25067 12142 1 20 . 1 1 78 78 LEU H H 78 8.238 8.238 7.479 0.759 25067 12143 1 20 . 1 1 79 79 GLU N N 79 121.435 121.435 119.221 2.214 25067 12144 1 20 . 1 1 79 79 GLU HA H 79 4.103 4.103 4.035 0.068 25067 12145 1 20 . 1 1 79 79 GLU C C 79 180.004 180.004 179.516 0.488 25067 12146 1 20 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.055 0.315 25067 12147 1 20 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.214 -0.092 25067 12148 1 20 . 1 1 79 79 GLU H H 79 8.296 8.296 8.068 0.228 25067 12149 1 20 . 1 1 80 80 VAL N N 80 122.863 122.863 119.916 2.947 25067 12150 1 20 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.404 -0.049 25067 12151 1 20 . 1 1 80 80 VAL C C 80 177.044 177.044 177.440 -0.396 25067 12152 1 20 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.221 0.248 25067 12153 1 20 . 1 1 80 80 VAL CB C 80 30.698 30.698 31.073 -0.374 25067 12154 1 20 . 1 1 80 80 VAL H H 80 8.603 8.603 8.145 0.458 25067 12155 1 20 . 1 1 81 81 ALA N N 81 122.490 122.490 121.252 1.238 25067 12156 1 20 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.883 -0.150 25067 12157 1 20 . 1 1 81 81 ALA C C 81 178.529 178.529 179.671 -1.142 25067 12158 1 20 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.225 0.420 25067 12159 1 20 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.117 0.298 25067 12160 1 20 . 1 1 81 81 ALA H H 81 7.684 7.684 7.511 0.173 25067 12161 1 20 . 1 1 82 82 ASN N N 82 114.569 114.569 115.059 -0.490 25067 12162 1 20 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.465 -0.087 25067 12163 1 20 . 1 1 82 82 ASN C C 82 177.505 177.505 177.386 0.119 25067 12164 1 20 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.918 0.285 25067 12165 1 20 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.417 0.417 25067 12166 1 20 . 1 1 82 82 ASN H H 82 7.752 7.752 8.391 -0.639 25067 12167 1 20 . 1 1 83 83 LYS N N 83 121.384 121.384 121.423 -0.039 25067 12168 1 20 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.074 0.020 25067 12169 1 20 . 1 1 83 83 LYS C C 83 179.037 179.037 178.502 0.535 25067 12170 1 20 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.525 0.550 25067 12171 1 20 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.934 0.214 25067 12172 1 20 . 1 1 83 83 LYS H H 83 8.343 8.343 7.501 0.842 25067 12173 1 20 . 1 1 84 84 ILE N N 84 120.298 120.298 118.824 1.474 25067 12174 1 20 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.799 -0.314 25067 12175 1 20 . 1 1 84 84 ILE C C 84 177.063 177.063 178.136 -1.073 25067 12176 1 20 . 1 1 84 84 ILE CA C 84 66.188 66.188 65.105 1.083 25067 12177 1 20 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.731 0.657 25067 12178 1 20 . 1 1 84 84 ILE H H 84 8.496 8.496 7.630 0.866 25067 12179 1 20 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.953 -0.137 25067 12180 1 20 . 1 1 85 85 ALA C C 85 179.891 179.891 179.455 0.436 25067 12181 1 20 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.100 0.691 25067 12182 1 20 . 1 1 85 85 ALA CB C 85 18.048 18.048 17.887 0.161 25067 12183 1 20 . 1 1 85 85 ALA H H 85 7.768 7.768 7.998 -0.230 25067 12184 1 20 . 1 1 86 86 ASN N N 86 116.155 116.155 115.690 0.465 25067 12185 1 20 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.496 0.039 25067 12186 1 20 . 1 1 86 86 ASN C C 86 178.423 178.423 177.017 1.406 25067 12187 1 20 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.614 0.492 25067 12188 1 20 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.451 0.333 25067 12189 1 20 . 1 1 86 86 ASN H H 86 8.355 8.355 7.943 0.412 25067 12190 1 20 . 1 1 87 87 GLU N N 87 120.806 120.806 119.476 1.330 25067 12191 1 20 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.146 0.030 25067 12192 1 20 . 1 1 87 87 GLU C C 87 178.381 178.381 178.602 -0.221 25067 12193 1 20 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.452 0.457 25067 12194 1 20 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.815 -0.163 25067 12195 1 20 . 1 1 87 87 GLU H H 87 8.431 8.431 7.692 0.739 25067 12196 1 20 . 1 1 88 88 LEU N N 88 115.825 115.825 116.983 -1.158 25067 12197 1 20 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.299 0.057 25067 12198 1 20 . 1 1 88 88 LEU C C 88 177.442 177.442 178.229 -0.787 25067 12199 1 20 . 1 1 88 88 LEU CA C 88 54.577 54.577 55.174 -0.597 25067 12200 1 20 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.352 1.148 25067 12201 1 20 . 1 1 88 88 LEU H H 88 7.547 7.547 7.780 -0.233 25067 12202 1 20 . 1 1 89 89 GLY N N 89 109.579 109.579 107.069 2.510 25067 12203 1 20 . 1 1 89 89 GLY C C 89 174.321 174.321 174.200 0.121 25067 12204 1 20 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.717 0.791 25067 12205 1 20 . 1 1 89 89 GLY H H 89 7.934 7.934 7.944 -0.010 25067 12206 1 20 . 1 1 90 90 ALA N N 90 120.990 120.990 121.833 -0.843 25067 12207 1 20 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.450 0.199 25067 12208 1 20 . 1 1 90 90 ALA C C 90 177.053 177.053 176.811 0.242 25067 12209 1 20 . 1 1 90 90 ALA CA C 90 51.074 51.074 53.080 -2.006 25067 12210 1 20 . 1 1 90 90 ALA CB C 90 21.819 21.819 19.852 1.967 25067 12211 1 20 . 1 1 90 90 ALA H H 90 8.017 8.017 8.033 -0.016 25067 12212 1 20 . 1 1 91 91 LYS N N 91 120.615 120.615 118.710 1.905 25067 12213 1 20 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.529 -0.113 25067 12214 1 20 . 1 1 91 91 LYS C C 91 175.765 175.765 175.982 -0.217 25067 12215 1 20 . 1 1 91 91 LYS CA C 91 56.179 56.179 56.131 0.048 25067 12216 1 20 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.822 -1.080 25067 12217 1 20 . 1 1 91 91 LYS H H 91 8.366 8.366 8.181 0.185 25067 12218 1 20 . 1 1 92 92 GLN N N 92 119.273 119.273 117.539 1.734 25067 12219 1 20 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.547 0.614 25067 12220 1 20 . 1 1 92 92 GLN C C 92 175.136 175.136 173.589 1.547 25067 12221 1 20 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.750 -1.640 25067 12222 1 20 . 1 1 92 92 GLN CB C 92 30.681 30.681 32.081 -1.400 25067 12223 1 20 . 1 1 92 92 GLN H H 92 8.495 8.495 8.382 0.113 25067 12224 1 20 . 1 1 93 93 SER N N 93 117.003 117.003 114.836 2.167 25067 12225 1 20 . 1 1 93 93 SER HA H 93 4.781 4.781 4.693 0.088 25067 12226 1 20 . 1 1 93 93 SER C C 93 173.735 173.735 174.458 -0.723 25067 12227 1 20 . 1 1 93 93 SER CA C 93 57.819 57.819 57.513 0.306 25067 12228 1 20 . 1 1 93 93 SER CB C 93 64.648 64.648 64.951 -0.303 25067 12229 1 20 . 1 1 93 93 SER H H 93 8.441 8.441 8.384 0.057 25067 12230 1 20 . 1 1 94 94 THR HA H 94 4.781 4.781 4.493 0.288 25067 12231 1 20 . 1 1 94 94 THR CA C 94 61.111 61.111 62.208 -1.097 25067 12232 1 20 . 1 1 94 94 THR CB C 94 71.032 71.032 69.431 1.601 25067 12233 1 20 . 1 1 95 95 THR N N 95 119.923 119.923 119.539 0.384 25067 12234 1 20 . 1 1 95 95 THR HA H 95 5.098 5.098 4.729 0.369 25067 12235 1 20 . 1 1 95 95 THR CA C 95 60.438 60.438 60.177 0.261 25067 12236 1 20 . 1 1 95 95 THR CB C 95 70.780 70.780 70.166 0.614 25067 12237 1 20 . 1 1 95 95 THR H H 95 8.762 8.762 8.554 0.208 25067 12238 1 20 . 1 1 96 96 THR HA H 96 4.367 4.367 4.606 -0.239 25067 12239 1 20 . 1 1 96 96 THR CA C 96 61.740 61.740 61.903 -0.163 25067 12240 1 20 . 1 1 96 96 THR CB C 96 70.992 70.992 70.561 0.431 25067 12241 1 20 . 1 1 97 97 THR N N 97 120.315 120.315 119.797 0.518 25067 12242 1 20 . 1 1 97 97 THR HA H 97 5.363 5.363 4.692 0.671 25067 12243 1 20 . 1 1 97 97 THR CA C 97 61.379 61.379 61.766 -0.386 25067 12244 1 20 . 1 1 97 97 THR CB C 97 71.216 71.216 70.641 0.575 25067 12245 1 20 . 1 1 97 97 THR H H 97 8.999 8.999 8.476 0.523 25067 12246 1 20 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.885 0.307 25067 12247 1 20 . 1 1 98 98 ASP C C 98 175.672 175.672 177.212 -1.540 25067 12248 1 20 . 1 1 98 98 ASP CA C 98 52.593 52.593 53.744 -1.151 25067 12249 1 20 . 1 1 98 98 ASP CB C 98 41.735 41.735 43.009 -1.274 25067 12250 1 20 . 1 1 99 99 GLY N N 99 111.919 111.919 108.982 2.937 25067 12251 1 20 . 1 1 99 99 GLY C C 99 174.049 174.049 174.355 -0.306 25067 12252 1 20 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.684 -1.658 25067 12253 1 20 . 1 1 99 99 GLY H H 99 7.817 7.817 8.519 -0.702 25067 12254 1 20 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.979 -0.425 25067 12255 1 20 . 1 1 100 100 ASP C C 100 177.518 177.518 176.019 1.499 25067 12256 1 20 . 1 1 100 100 ASP CA C 100 57.488 57.488 53.493 3.995 25067 12257 1 20 . 1 1 100 100 ASP CB C 100 41.637 41.637 42.379 -0.742 25067 12258 1 20 . 1 1 101 101 THR N N 101 112.835 112.835 114.965 -2.130 25067 12259 1 20 . 1 1 101 101 THR HA H 101 4.613 4.613 4.020 0.593 25067 12260 1 20 . 1 1 101 101 THR C C 101 173.003 173.003 172.836 0.167 25067 12261 1 20 . 1 1 101 101 THR CA C 101 60.857 60.857 63.473 -2.616 25067 12262 1 20 . 1 1 101 101 THR CB C 101 70.589 70.589 69.041 1.548 25067 12263 1 20 . 1 1 101 101 THR H H 101 7.819 7.819 8.020 -0.201 25067 12264 1 20 . 1 1 102 102 PHE N N 102 126.633 126.633 123.580 3.053 25067 12265 1 20 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.984 -0.093 25067 12266 1 20 . 1 1 102 102 PHE C C 102 173.286 173.286 173.110 0.176 25067 12267 1 20 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.056 0.117 25067 12268 1 20 . 1 1 102 102 PHE CB C 102 40.719 40.719 43.677 -2.958 25067 12269 1 20 . 1 1 102 102 PHE H H 102 8.581 8.581 8.645 -0.064 25067 12270 1 20 . 1 1 103 103 GLU N N 103 125.528 125.528 127.611 -2.083 25067 12271 1 20 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.254 -0.017 25067 12272 1 20 . 1 1 103 103 GLU C C 103 173.851 173.851 174.209 -0.358 25067 12273 1 20 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.259 -0.199 25067 12274 1 20 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.902 0.416 25067 12275 1 20 . 1 1 103 103 GLU H H 103 7.986 7.986 8.280 -0.294 25067 12276 1 20 . 1 1 104 104 VAL N N 104 124.582 124.582 127.255 -2.673 25067 12277 1 20 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.371 0.273 25067 12278 1 20 . 1 1 104 104 VAL C C 104 173.763 173.763 174.611 -0.848 25067 12279 1 20 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.111 -1.147 25067 12280 1 20 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.194 1.177 25067 12281 1 20 . 1 1 104 104 VAL H H 104 9.245 9.245 8.904 0.341 25067 12282 1 20 . 1 1 105 105 GLU N N 105 127.755 127.755 129.318 -1.563 25067 12283 1 20 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.858 0.394 25067 12284 1 20 . 1 1 105 105 GLU C C 105 174.572 174.572 175.356 -0.784 25067 12285 1 20 . 1 1 105 105 GLU CA C 105 54.359 54.359 55.084 -0.725 25067 12286 1 20 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.052 1.766 25067 12287 1 20 . 1 1 105 105 GLU H H 105 9.040 9.040 8.584 0.456 25067 12288 1 20 . 1 1 106 106 VAL N N 106 127.452 127.452 126.348 1.104 25067 12289 1 20 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.170 0.598 25067 12290 1 20 . 1 1 106 106 VAL C C 106 174.692 174.692 174.678 0.014 25067 12291 1 20 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.856 -1.433 25067 12292 1 20 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.994 2.148 25067 12293 1 20 . 1 1 106 106 VAL H H 106 9.315 9.315 8.486 0.829 25067 12294 1 20 . 1 1 107 107 ILE N N 107 127.006 127.006 128.981 -1.975 25067 12295 1 20 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.432 0.185 25067 12296 1 20 . 1 1 107 107 ILE C C 107 176.187 176.187 175.394 0.793 25067 12297 1 20 . 1 1 107 107 ILE CA C 107 60.406 60.406 58.792 1.614 25067 12298 1 20 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.551 1.970 25067 12299 1 20 . 1 1 107 107 ILE H H 107 8.814 8.814 8.371 0.443 25067 12300 1 20 . 1 1 108 108 LEU N N 108 128.313 128.313 129.440 -1.127 25067 12301 1 20 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.416 0.341 25067 12302 1 20 . 1 1 108 108 LEU C C 108 176.058 176.058 176.036 0.022 25067 12303 1 20 . 1 1 108 108 LEU CA C 108 54.124 54.124 54.112 0.012 25067 12304 1 20 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.345 1.729 25067 12305 1 20 . 1 1 108 108 LEU H H 108 8.652 8.652 8.212 0.440 25067 12306 1 20 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.377 0.155 25067 12307 1 20 . 1 1 109 109 GLU C C 109 175.408 175.408 175.956 -0.548 25067 12308 1 20 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.567 -0.206 25067 12309 1 20 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.298 1.349 25067 12310 1 20 . 1 1 110 110 LEU N N 110 125.467 125.467 123.925 1.542 25067 12311 1 20 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.428 -0.027 25067 12312 1 20 . 1 1 110 110 LEU C C 110 176.854 176.854 176.854 0.000 25067 12313 1 20 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.694 0.275 25067 12314 1 20 . 1 1 110 110 LEU CB C 110 42.515 42.515 42.010 0.505 25067 12315 1 20 . 1 1 110 110 LEU H H 110 8.402 8.402 8.102 0.300 25067 12316 1 20 . 1 1 111 111 GLU N N 111 121.575 121.575 120.386 1.189 25067 12317 1 20 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.288 -0.027 25067 12318 1 20 . 1 1 111 111 GLU CA C 111 56.521 56.521 56.449 0.072 25067 12319 1 20 . 1 1 111 111 GLU CB C 111 30.291 30.291 28.168 2.123 25067 12320 1 20 . 1 1 111 111 GLU H H 111 8.607 8.607 8.570 0.037 25067 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 98 2.636 0.297 2.633 25067 2 1 1 "Average Difference" HA 104 0.318 -0.062 0.314 25067 3 1 1 "Average Difference" C 102 0.912 0.008 0.917 25067 4 1 1 "Average Difference" CA 109 0.927 -0.161 0.917 25067 5 1 1 "Average Difference" CB 104 1.297 -0.260 1.277 25067 6 1 1 "Average Difference" HN 99 0.512 -0.239 0.455 25067 7 1 2 "Average Difference" N 98 2.733 0.520 2.697 25067 8 1 2 "Average Difference" HA 104 0.411 -0.103 0.400 25067 9 1 2 "Average Difference" C 102 0.865 -0.150 0.856 25067 10 1 2 "Average Difference" CA 109 1.044 -0.155 1.037 25067 11 1 2 "Average Difference" CB 104 1.050 -0.339 0.998 25067 12 1 2 "Average Difference" HN 99 0.513 -0.189 0.479 25067 13 1 3 "Average Difference" N 98 2.832 0.341 2.825 25067 14 1 3 "Average Difference" HA 104 0.303 -0.086 0.292 25067 15 1 3 "Average Difference" C 102 0.923 -0.103 0.922 25067 16 1 3 "Average Difference" CA 109 1.060 -0.122 1.058 25067 17 1 3 "Average Difference" CB 104 1.147 -0.121 1.146 25067 18 1 3 "Average Difference" HN 99 0.493 -0.225 0.441 25067 19 1 4 "Average Difference" N 98 2.843 0.525 2.809 25067 20 1 4 "Average Difference" HA 104 0.341 -0.086 0.332 25067 21 1 4 "Average Difference" C 102 1.001 -0.085 1.002 25067 22 1 4 "Average Difference" CA 109 1.062 -0.139 1.058 25067 23 1 4 "Average Difference" CB 104 1.157 -0.408 1.088 25067 24 1 4 "Average Difference" HN 99 0.504 -0.208 0.461 25067 25 1 5 "Average Difference" N 98 2.763 0.324 2.758 25067 26 1 5 "Average Difference" HA 104 0.334 -0.090 0.323 25067 27 1 5 "Average Difference" C 102 0.867 -0.100 0.865 25067 28 1 5 "Average Difference" CA 109 0.996 -0.146 0.989 25067 29 1 5 "Average Difference" CB 104 1.249 -0.324 1.212 25067 30 1 5 "Average Difference" HN 99 0.498 -0.249 0.434 25067 31 1 6 "Average Difference" N 98 2.911 0.879 2.790 25067 32 1 6 "Average Difference" HA 104 0.331 -0.085 0.322 25067 33 1 6 "Average Difference" C 102 0.949 -0.094 0.949 25067 34 1 6 "Average Difference" CA 109 0.991 -0.159 0.982 25067 35 1 6 "Average Difference" CB 104 1.106 -0.355 1.053 25067 36 1 6 "Average Difference" HN 99 0.497 -0.211 0.452 25067 37 1 7 "Average Difference" N 98 2.676 0.007 2.690 25067 38 1 7 "Average Difference" HA 104 0.292 -0.061 0.286 25067 39 1 7 "Average Difference" C 102 0.892 -0.071 0.893 25067 40 1 7 "Average Difference" CA 109 0.960 -0.250 0.931 25067 41 1 7 "Average Difference" CB 104 1.277 -0.220 1.264 25067 42 1 7 "Average Difference" HN 99 0.559 -0.254 0.501 25067 43 1 8 "Average Difference" N 98 2.735 0.077 2.748 25067 44 1 8 "Average Difference" HA 104 0.381 -0.116 0.364 25067 45 1 8 "Average Difference" C 102 0.995 -0.087 0.996 25067 46 1 8 "Average Difference" CA 109 1.149 -0.122 1.147 25067 47 1 8 "Average Difference" CB 104 1.123 -0.355 1.071 25067 48 1 8 "Average Difference" HN 99 0.514 -0.234 0.460 25067 49 1 9 "Average Difference" N 98 2.688 0.612 2.630 25067 50 1 9 "Average Difference" HA 104 0.321 -0.096 0.308 25067 51 1 9 "Average Difference" C 102 0.997 -0.167 0.987 25067 52 1 9 "Average Difference" CA 109 0.831 -0.221 0.805 25067 53 1 9 "Average Difference" CB 104 1.090 -0.225 1.071 25067 54 1 9 "Average Difference" HN 99 0.540 -0.284 0.462 25067 55 1 10 "Average Difference" N 98 2.667 0.797 2.558 25067 56 1 10 "Average Difference" HA 104 0.366 -0.105 0.353 25067 57 1 10 "Average Difference" C 102 0.870 -0.165 0.858 25067 58 1 10 "Average Difference" CA 109 1.180 -0.212 1.166 25067 59 1 10 "Average Difference" CB 104 1.062 -0.394 0.991 25067 60 1 10 "Average Difference" HN 99 0.482 -0.184 0.448 25067 61 1 11 "Average Difference" N 98 2.990 0.352 2.985 25067 62 1 11 "Average Difference" HA 104 0.341 -0.103 0.327 25067 63 1 11 "Average Difference" C 102 0.780 0.022 0.784 25067 64 1 11 "Average Difference" CA 109 0.802 -0.137 0.793 25067 65 1 11 "Average Difference" CB 104 1.158 -0.278 1.130 25067 66 1 11 "Average Difference" HN 99 0.463 -0.207 0.416 25067 67 1 12 "Average Difference" N 98 2.804 0.420 2.786 25067 68 1 12 "Average Difference" HA 104 0.347 -0.073 0.340 25067 69 1 12 "Average Difference" C 102 0.956 -0.108 0.955 25067 70 1 12 "Average Difference" CA 109 1.012 -0.074 1.013 25067 71 1 12 "Average Difference" CB 104 1.200 -0.208 1.187 25067 72 1 12 "Average Difference" HN 99 0.515 -0.230 0.463 25067 73 1 13 "Average Difference" N 98 2.729 0.142 2.740 25067 74 1 13 "Average Difference" HA 104 0.332 -0.117 0.312 25067 75 1 13 "Average Difference" C 102 0.926 -0.079 0.927 25067 76 1 13 "Average Difference" CA 109 1.067 -0.095 1.068 25067 77 1 13 "Average Difference" CB 104 1.109 -0.313 1.069 25067 78 1 13 "Average Difference" HN 99 0.475 -0.203 0.431 25067 79 1 14 "Average Difference" N 98 2.753 0.274 2.754 25067 80 1 14 "Average Difference" HA 104 0.324 -0.096 0.312 25067 81 1 14 "Average Difference" C 102 0.851 0.001 0.855 25067 82 1 14 "Average Difference" CA 109 0.937 -0.074 0.939 25067 83 1 14 "Average Difference" CB 104 1.153 -0.362 1.100 25067 84 1 14 "Average Difference" HN 99 0.494 -0.235 0.437 25067 85 1 15 "Average Difference" N 98 2.724 0.269 2.725 25067 86 1 15 "Average Difference" HA 104 0.316 -0.095 0.302 25067 87 1 15 "Average Difference" C 102 0.975 -0.112 0.974 25067 88 1 15 "Average Difference" CA 109 1.003 -0.137 0.998 25067 89 1 15 "Average Difference" CB 104 1.227 -0.306 1.194 25067 90 1 15 "Average Difference" HN 99 0.524 -0.244 0.466 25067 91 1 16 "Average Difference" N 98 2.880 0.154 2.891 25067 92 1 16 "Average Difference" HA 104 0.339 -0.056 0.336 25067 93 1 16 "Average Difference" C 102 0.937 -0.022 0.941 25067 94 1 16 "Average Difference" CA 109 1.202 -0.154 1.198 25067 95 1 16 "Average Difference" CB 104 1.240 -0.376 1.187 25067 96 1 16 "Average Difference" HN 99 0.590 -0.243 0.540 25067 97 1 17 "Average Difference" N 98 3.166 0.464 3.148 25067 98 1 17 "Average Difference" HA 104 0.356 -0.079 0.349 25067 99 1 17 "Average Difference" C 102 0.990 -0.119 0.988 25067 100 1 17 "Average Difference" CA 109 1.026 -0.093 1.026 25067 101 1 17 "Average Difference" CB 104 1.150 -0.283 1.120 25067 102 1 17 "Average Difference" HN 99 0.517 -0.229 0.466 25067 103 1 18 "Average Difference" N 98 2.791 0.521 2.756 25067 104 1 18 "Average Difference" HA 104 0.343 -0.076 0.336 25067 105 1 18 "Average Difference" C 102 0.887 -0.077 0.888 25067 106 1 18 "Average Difference" CA 109 0.883 -0.163 0.872 25067 107 1 18 "Average Difference" CB 104 1.288 -0.415 1.226 25067 108 1 18 "Average Difference" HN 99 0.494 -0.207 0.451 25067 109 1 19 "Average Difference" N 98 2.577 0.577 2.525 25067 110 1 19 "Average Difference" HA 104 0.344 -0.059 0.340 25067 111 1 19 "Average Difference" C 102 0.935 -0.090 0.935 25067 112 1 19 "Average Difference" CA 109 0.897 -0.158 0.887 25067 113 1 19 "Average Difference" CB 104 1.134 -0.227 1.116 25067 114 1 19 "Average Difference" HN 99 0.508 -0.213 0.464 25067 115 1 20 "Average Difference" N 98 2.778 0.310 2.775 25067 116 1 20 "Average Difference" HA 104 0.311 -0.085 0.301 25067 117 1 20 "Average Difference" C 102 0.899 -0.024 0.903 25067 118 1 20 "Average Difference" CA 109 0.968 -0.143 0.962 25067 119 1 20 "Average Difference" CB 104 1.196 -0.359 1.146 25067 120 1 20 "Average Difference" HN 99 0.519 -0.235 0.465 25067 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 25067 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.120 4.120 4.542 -0.422 25067 2 1 . 1 1 2 2 ALA CA C 2 52.161 52.161 52.196 -0.035 25067 3 1 . 1 1 2 2 ALA CB C 2 19.392 19.392 19.545 -0.153 25067 4 1 . 1 1 4 4 LYS HA H 4 4.378 4.378 4.179 0.199 25067 5 1 . 1 1 4 4 LYS C C 4 176.563 176.563 175.787 0.776 25067 6 1 . 1 1 4 4 LYS CA C 4 56.384 56.384 56.330 0.054 25067 7 1 . 1 1 4 4 LYS CB C 4 33.156 33.156 33.059 0.097 25067 8 1 . 1 1 5 5 GLU N N 5 122.511 122.511 120.712 1.800 25067 9 1 . 1 1 5 5 GLU HA H 5 4.377 4.377 4.352 0.025 25067 10 1 . 1 1 5 5 GLU C C 5 176.099 176.099 175.563 0.536 25067 11 1 . 1 1 5 5 GLU CA C 5 56.384 56.384 56.116 0.268 25067 12 1 . 1 1 5 5 GLU CB C 5 29.803 29.803 29.963 -0.160 25067 13 1 . 1 1 5 5 GLU H H 5 8.601 8.601 8.358 0.243 25067 14 1 . 1 1 6 6 LEU N N 6 124.063 124.063 124.964 -0.901 25067 15 1 . 1 1 6 6 LEU HA H 6 4.399 4.399 4.395 0.004 25067 16 1 . 1 1 6 6 LEU C C 6 175.082 175.082 176.135 -1.053 25067 17 1 . 1 1 6 6 LEU CA C 6 54.725 54.725 54.451 0.274 25067 18 1 . 1 1 6 6 LEU CB C 6 42.213 42.213 41.664 0.549 25067 19 1 . 1 1 6 6 LEU H H 6 8.409 8.409 8.309 0.100 25067 20 1 . 1 1 7 7 ARG N N 7 122.244 122.244 124.827 -2.583 25067 21 1 . 1 1 7 7 ARG HA H 7 4.445 4.445 4.248 0.198 25067 22 1 . 1 1 7 7 ARG C C 7 174.768 174.768 174.911 -0.143 25067 23 1 . 1 1 7 7 ARG CA C 7 54.690 54.690 55.510 -0.820 25067 24 1 . 1 1 7 7 ARG CB C 7 32.090 32.090 30.560 1.530 25067 25 1 . 1 1 7 7 ARG H H 7 8.016 8.016 8.259 -0.243 25067 26 1 . 1 1 8 8 VAL N N 8 123.767 123.767 123.031 0.736 25067 27 1 . 1 1 8 8 VAL HA H 8 4.292 4.292 4.604 -0.312 25067 28 1 . 1 1 8 8 VAL C C 8 173.562 173.562 174.675 -1.113 25067 29 1 . 1 1 8 8 VAL CA C 8 60.842 60.842 60.809 0.033 25067 30 1 . 1 1 8 8 VAL CB C 8 34.184 34.184 33.716 0.468 25067 31 1 . 1 1 8 8 VAL H H 8 8.659 8.659 8.209 0.450 25067 32 1 . 1 1 9 9 GLU N N 9 127.779 127.779 127.880 -0.101 25067 33 1 . 1 1 9 9 GLU HA H 9 4.890 4.890 4.855 0.035 25067 34 1 . 1 1 9 9 GLU C C 9 175.446 175.446 175.352 0.094 25067 35 1 . 1 1 9 9 GLU CA C 9 55.483 55.483 54.717 0.766 25067 36 1 . 1 1 9 9 GLU CB C 9 30.750 30.750 30.833 -0.083 25067 37 1 . 1 1 9 9 GLU H H 9 8.513 8.513 8.505 0.008 25067 38 1 . 1 1 10 10 ILE N N 10 127.770 127.770 126.722 1.048 25067 39 1 . 1 1 10 10 ILE HA H 10 4.900 4.900 4.386 0.514 25067 40 1 . 1 1 10 10 ILE C C 10 174.981 174.981 175.185 -0.204 25067 41 1 . 1 1 10 10 ILE CA C 10 58.424 58.424 59.469 -1.045 25067 42 1 . 1 1 10 10 ILE CB C 10 38.645 38.645 37.254 1.391 25067 43 1 . 1 1 10 10 ILE H H 10 9.199 9.199 8.512 0.687 25067 44 1 . 1 1 11 11 LYS N N 11 125.866 125.866 129.343 -3.477 25067 45 1 . 1 1 11 11 LYS HA H 11 5.438 5.438 5.043 0.395 25067 46 1 . 1 1 11 11 LYS C C 11 175.835 175.835 175.076 0.759 25067 47 1 . 1 1 11 11 LYS CA C 11 54.817 54.817 54.104 0.713 25067 48 1 . 1 1 11 11 LYS CB C 11 35.060 35.060 34.440 0.620 25067 49 1 . 1 1 11 11 LYS H H 11 9.257 9.257 8.856 0.401 25067 50 1 . 1 1 12 12 ILE N N 12 121.799 121.799 126.327 -4.528 25067 51 1 . 1 1 12 12 ILE HA H 12 5.299 5.299 4.336 0.963 25067 52 1 . 1 1 12 12 ILE C C 12 175.132 175.132 174.596 0.536 25067 53 1 . 1 1 12 12 ILE CA C 12 59.134 59.134 58.978 0.156 25067 54 1 . 1 1 12 12 ILE CB C 12 39.666 39.666 38.052 1.614 25067 55 1 . 1 1 12 12 ILE H H 12 9.075 9.075 8.502 0.573 25067 56 1 . 1 1 13 13 ASP N N 13 129.263 129.263 127.846 1.417 25067 57 1 . 1 1 13 13 ASP HA H 13 5.209 5.209 4.890 0.319 25067 58 1 . 1 1 13 13 ASP C C 13 175.898 175.898 175.318 0.580 25067 59 1 . 1 1 13 13 ASP CA C 13 52.731 52.731 53.659 -0.928 25067 60 1 . 1 1 13 13 ASP CB C 13 43.750 43.750 42.097 1.653 25067 61 1 . 1 1 13 13 ASP H H 13 9.415 9.415 8.414 1.001 25067 62 1 . 1 1 14 14 CYS N N 14 122.767 122.767 123.200 -0.433 25067 63 1 . 1 1 14 14 CYS HA H 14 4.932 4.932 4.718 0.214 25067 64 1 . 1 1 14 14 CYS C C 14 174.228 174.228 174.848 -0.620 25067 65 1 . 1 1 14 14 CYS CA C 14 58.269 58.269 57.992 0.277 25067 66 1 . 1 1 14 14 CYS CB C 14 28.447 28.447 28.924 -0.476 25067 67 1 . 1 1 14 14 CYS H H 14 9.274 9.274 8.466 0.808 25067 68 1 . 1 1 15 15 GLY N N 15 110.606 110.606 110.487 0.119 25067 69 1 . 1 1 15 15 GLY C C 15 173.986 173.986 173.566 0.420 25067 70 1 . 1 1 15 15 GLY CA C 15 45.892 45.892 45.378 0.514 25067 71 1 . 1 1 15 15 GLY H H 15 8.919 8.919 8.238 0.681 25067 72 1 . 1 1 16 16 ASN HA H 16 4.796 4.796 4.698 0.098 25067 73 1 . 1 1 16 16 ASN C C 16 175.157 175.157 174.807 0.350 25067 74 1 . 1 1 16 16 ASN CA C 16 53.181 53.181 53.214 -0.033 25067 75 1 . 1 1 16 16 ASN CB C 16 38.955 38.955 38.770 0.185 25067 76 1 . 1 1 17 17 ASP N N 17 118.767 118.767 121.982 -3.215 25067 77 1 . 1 1 17 17 ASP HA H 17 4.589 4.589 4.575 0.014 25067 78 1 . 1 1 17 17 ASP C C 17 175.493 175.493 176.050 -0.557 25067 79 1 . 1 1 17 17 ASP CA C 17 54.533 54.533 55.148 -0.615 25067 80 1 . 1 1 17 17 ASP CB C 17 40.992 40.992 41.026 -0.034 25067 81 1 . 1 1 17 17 ASP H H 17 8.409 8.409 8.359 0.050 25067 82 1 . 1 1 18 18 ASP N N 18 119.912 119.912 119.224 0.688 25067 83 1 . 1 1 18 18 ASP HA H 18 4.606 4.606 4.527 0.079 25067 84 1 . 1 1 18 18 ASP C C 18 175.870 175.870 175.683 0.187 25067 85 1 . 1 1 18 18 ASP CA C 18 54.242 54.242 55.048 -0.806 25067 86 1 . 1 1 18 18 ASP CB C 18 41.116 41.116 41.189 -0.073 25067 87 1 . 1 1 18 18 ASP H H 18 8.291 8.291 8.207 0.084 25067 88 1 . 1 1 19 19 LYS N N 19 120.828 120.828 120.698 0.130 25067 89 1 . 1 1 19 19 LYS HA H 19 4.439 4.439 4.309 0.130 25067 90 1 . 1 1 19 19 LYS C C 19 176.121 176.121 175.426 0.695 25067 91 1 . 1 1 19 19 LYS CA C 19 55.646 55.646 55.893 -0.247 25067 92 1 . 1 1 19 19 LYS CB C 19 33.015 33.015 33.263 -0.248 25067 93 1 . 1 1 19 19 LYS H H 19 8.140 8.140 8.008 0.132 25067 94 1 . 1 1 20 20 GLU N N 20 123.292 123.292 123.117 0.175 25067 95 1 . 1 1 20 20 GLU HA H 20 4.540 4.540 4.282 0.258 25067 96 1 . 1 1 20 20 GLU C C 20 176.413 176.413 176.242 0.171 25067 97 1 . 1 1 20 20 GLU CA C 20 56.518 56.518 56.512 0.006 25067 98 1 . 1 1 20 20 GLU CB C 20 30.543 30.543 29.849 0.694 25067 99 1 . 1 1 20 20 GLU H H 20 8.645 8.645 8.356 0.289 25067 100 1 . 1 1 21 21 THR N N 21 119.747 119.747 120.217 -0.470 25067 101 1 . 1 1 21 21 THR HA H 21 4.517 4.517 4.521 -0.004 25067 102 1 . 1 1 21 21 THR C C 21 173.148 173.148 173.388 -0.240 25067 103 1 . 1 1 21 21 THR CA C 21 61.989 61.989 61.247 0.742 25067 104 1 . 1 1 21 21 THR CB C 21 70.485 70.485 69.794 0.691 25067 105 1 . 1 1 21 21 THR H H 21 8.589 8.589 8.396 0.193 25067 106 1 . 1 1 22 22 THR N N 22 119.539 119.539 119.954 -0.415 25067 107 1 . 1 1 22 22 THR HA H 22 5.342 5.342 5.233 0.109 25067 108 1 . 1 1 22 22 THR C C 22 173.148 173.148 173.621 -0.473 25067 109 1 . 1 1 22 22 THR CA C 22 60.977 60.977 60.526 0.451 25067 110 1 . 1 1 22 22 THR CB C 22 70.490 70.490 70.793 -0.303 25067 111 1 . 1 1 22 22 THR H H 22 8.191 8.191 8.224 -0.033 25067 112 1 . 1 1 23 23 TYR N N 23 123.279 123.279 124.003 -0.724 25067 113 1 . 1 1 23 23 TYR HA H 23 4.654 4.654 4.627 0.027 25067 114 1 . 1 1 23 23 TYR C C 23 173.400 173.400 174.905 -1.505 25067 115 1 . 1 1 23 23 TYR CA C 23 56.982 56.982 57.090 -0.108 25067 116 1 . 1 1 23 23 TYR CB C 23 42.318 42.318 40.385 1.933 25067 117 1 . 1 1 23 23 TYR H H 23 9.268 9.268 8.602 0.666 25067 118 1 . 1 1 24 24 ASP N N 24 121.837 121.837 124.675 -2.838 25067 119 1 . 1 1 24 24 ASP HA H 24 4.844 4.844 5.090 -0.246 25067 120 1 . 1 1 24 24 ASP C C 24 173.400 173.400 175.433 -2.033 25067 121 1 . 1 1 24 24 ASP CA C 24 53.469 53.469 53.785 -0.316 25067 122 1 . 1 1 24 24 ASP CB C 24 41.941 41.941 41.410 0.531 25067 123 1 . 1 1 24 24 ASP H H 24 8.484 8.484 8.658 -0.174 25067 124 1 . 1 1 25 25 LEU N N 25 126.268 126.268 120.440 5.828 25067 125 1 . 1 1 25 25 LEU HA H 25 4.100 4.100 4.666 -0.566 25067 126 1 . 1 1 25 25 LEU C C 25 174.677 174.677 174.800 -0.123 25067 127 1 . 1 1 25 25 LEU CA C 25 52.733 52.733 53.932 -1.199 25067 128 1 . 1 1 25 25 LEU CB C 25 42.626 42.626 44.408 -1.782 25067 129 1 . 1 1 25 25 LEU H H 25 8.619 8.619 7.937 0.682 25067 130 1 . 1 1 26 26 TYR N N 26 123.695 123.695 117.182 6.513 25067 131 1 . 1 1 26 26 TYR HA H 26 4.635 4.635 4.912 -0.277 25067 132 1 . 1 1 26 26 TYR C C 26 176.833 176.833 175.430 1.403 25067 133 1 . 1 1 26 26 TYR CA C 26 56.282 56.282 57.004 -0.722 25067 134 1 . 1 1 26 26 TYR CB C 26 38.143 38.143 39.583 -1.440 25067 135 1 . 1 1 26 26 TYR H H 26 8.465 8.465 8.057 0.408 25067 136 1 . 1 1 27 27 PHE N N 27 119.951 119.951 123.331 -3.380 25067 137 1 . 1 1 27 27 PHE HA H 27 4.786 4.786 4.533 0.253 25067 138 1 . 1 1 27 27 PHE C C 27 176.205 176.205 175.293 0.912 25067 139 1 . 1 1 27 27 PHE CA C 27 60.136 60.136 57.453 2.683 25067 140 1 . 1 1 27 27 PHE CB C 27 38.455 38.455 39.578 -1.123 25067 141 1 . 1 1 27 27 PHE H H 27 7.991 7.991 8.475 -0.484 25067 142 1 . 1 1 28 28 SER N N 28 114.987 114.987 118.698 -3.711 25067 143 1 . 1 1 28 28 SER HA H 28 4.455 4.455 4.378 0.077 25067 144 1 . 1 1 28 28 SER C C 28 174.517 174.517 173.819 0.698 25067 145 1 . 1 1 28 28 SER CA C 28 59.489 59.489 58.603 0.886 25067 146 1 . 1 1 28 28 SER CB C 28 62.828 62.828 64.044 -1.216 25067 147 1 . 1 1 28 28 SER H H 28 8.508 8.508 8.302 0.206 25067 148 1 . 1 1 29 29 LYS N N 29 123.721 123.721 119.670 4.051 25067 149 1 . 1 1 29 29 LYS HA H 29 4.653 4.653 4.298 0.354 25067 150 1 . 1 1 29 29 LYS C C 29 175.954 175.954 175.817 0.137 25067 151 1 . 1 1 29 29 LYS CA C 29 54.695 54.695 55.503 -0.809 25067 152 1 . 1 1 29 29 LYS CB C 29 31.548 31.548 33.816 -2.268 25067 153 1 . 1 1 29 29 LYS H H 29 7.723 7.723 7.601 0.122 25067 154 1 . 1 1 30 30 ALA HA H 30 4.072 4.072 4.184 -0.112 25067 155 1 . 1 1 30 30 ALA CA C 30 55.547 55.547 54.493 1.054 25067 156 1 . 1 1 30 30 ALA CB C 30 18.771 18.771 18.611 0.160 25067 157 1 . 1 1 31 31 GLU N N 31 117.703 117.703 118.947 -1.244 25067 158 1 . 1 1 31 31 GLU HA H 31 4.178 4.178 4.075 0.103 25067 159 1 . 1 1 31 31 GLU C C 31 179.251 179.251 178.684 0.567 25067 160 1 . 1 1 31 31 GLU CA C 31 59.596 59.596 59.323 0.273 25067 161 1 . 1 1 31 31 GLU CB C 31 28.599 28.599 29.051 -0.452 25067 162 1 . 1 1 31 31 GLU H H 31 9.034 9.034 8.775 0.259 25067 163 1 . 1 1 32 32 GLU N N 32 121.084 121.084 119.070 2.014 25067 164 1 . 1 1 32 32 GLU HA H 32 4.185 4.185 4.112 0.073 25067 165 1 . 1 1 32 32 GLU C C 32 179.251 179.251 178.584 0.667 25067 166 1 . 1 1 32 32 GLU CA C 32 59.217 59.217 58.885 0.332 25067 167 1 . 1 1 32 32 GLU CB C 32 29.331 29.331 29.046 0.285 25067 168 1 . 1 1 32 32 GLU H H 32 8.046 8.046 8.367 -0.321 25067 169 1 . 1 1 33 33 ALA N N 33 122.906 122.906 122.571 0.335 25067 170 1 . 1 1 33 33 ALA HA H 33 4.090 4.090 3.939 0.151 25067 171 1 . 1 1 33 33 ALA C C 33 180.244 180.244 179.584 0.660 25067 172 1 . 1 1 33 33 ALA CA C 33 55.519 55.519 55.075 0.444 25067 173 1 . 1 1 33 33 ALA CB C 33 17.968 17.968 18.091 -0.123 25067 174 1 . 1 1 33 33 ALA H H 33 8.383 8.383 7.976 0.407 25067 175 1 . 1 1 34 34 LYS N N 34 119.560 119.560 118.136 1.424 25067 176 1 . 1 1 34 34 LYS HA H 34 4.190 4.190 4.142 0.048 25067 177 1 . 1 1 34 34 LYS C C 34 179.198 179.198 178.723 0.475 25067 178 1 . 1 1 34 34 LYS CA C 34 59.481 59.481 59.557 -0.076 25067 179 1 . 1 1 34 34 LYS CB C 34 32.452 32.452 32.270 0.182 25067 180 1 . 1 1 34 34 LYS H H 34 7.885 7.885 7.979 -0.095 25067 181 1 . 1 1 35 35 GLU N N 35 121.053 121.053 120.468 0.585 25067 182 1 . 1 1 35 35 GLU HA H 35 4.181 4.181 4.154 0.027 25067 183 1 . 1 1 35 35 GLU C C 35 179.288 179.288 178.963 0.325 25067 184 1 . 1 1 35 35 GLU CA C 35 59.391 59.391 59.125 0.266 25067 185 1 . 1 1 35 35 GLU CB C 35 29.344 29.344 29.418 -0.074 25067 186 1 . 1 1 35 35 GLU H H 35 8.042 8.042 7.641 0.401 25067 187 1 . 1 1 36 36 LEU N N 36 121.053 121.053 120.393 0.660 25067 188 1 . 1 1 36 36 LEU HA H 36 4.237 4.237 4.220 0.017 25067 189 1 . 1 1 36 36 LEU C C 36 177.982 177.982 179.474 -1.492 25067 190 1 . 1 1 36 36 LEU CA C 36 57.737 57.737 57.375 0.362 25067 191 1 . 1 1 36 36 LEU CB C 36 41.941 41.941 41.007 0.934 25067 192 1 . 1 1 36 36 LEU H H 36 8.434 8.434 8.024 0.410 25067 193 1 . 1 1 37 37 LEU N N 37 120.035 120.035 121.192 -1.157 25067 194 1 . 1 1 37 37 LEU HA H 37 3.616 3.616 3.810 -0.194 25067 195 1 . 1 1 37 37 LEU C C 37 178.070 178.070 178.269 -0.199 25067 196 1 . 1 1 37 37 LEU CA C 37 59.549 59.549 58.819 0.730 25067 197 1 . 1 1 37 37 LEU CB C 37 42.148 42.148 41.692 0.456 25067 198 1 . 1 1 37 37 LEU H H 37 7.883 7.883 8.562 -0.679 25067 199 1 . 1 1 38 38 LYS N N 38 116.604 116.604 118.419 -1.815 25067 200 1 . 1 1 38 38 LYS HA H 38 3.796 3.796 3.906 -0.110 25067 201 1 . 1 1 38 38 LYS C C 38 178.246 178.246 178.852 -0.606 25067 202 1 . 1 1 38 38 LYS CA C 38 59.515 59.515 59.565 -0.050 25067 203 1 . 1 1 38 38 LYS CB C 38 32.595 32.595 32.151 0.445 25067 204 1 . 1 1 38 38 LYS H H 38 7.102 7.102 7.693 -0.591 25067 205 1 . 1 1 39 39 LYS N N 39 118.823 118.823 119.536 -0.713 25067 206 1 . 1 1 39 39 LYS HA H 39 4.155 4.155 4.063 0.092 25067 207 1 . 1 1 39 39 LYS C C 39 179.464 179.464 179.036 0.428 25067 208 1 . 1 1 39 39 LYS CA C 39 59.126 59.126 59.281 -0.155 25067 209 1 . 1 1 39 39 LYS CB C 39 32.694 32.694 32.347 0.347 25067 210 1 . 1 1 39 39 LYS H H 39 7.752 7.752 7.659 0.093 25067 211 1 . 1 1 40 40 VAL N N 40 119.336 119.336 119.365 -0.029 25067 212 1 . 1 1 40 40 VAL HA H 40 3.353 3.353 3.456 -0.103 25067 213 1 . 1 1 40 40 VAL C C 40 178.612 178.612 177.735 0.877 25067 214 1 . 1 1 40 40 VAL CA C 40 66.336 66.336 66.094 0.242 25067 215 1 . 1 1 40 40 VAL CB C 40 31.152 31.152 31.267 -0.115 25067 216 1 . 1 1 40 40 VAL H H 40 8.925 8.925 8.016 0.909 25067 217 1 . 1 1 41 41 ALA N N 41 120.709 120.709 121.996 -1.287 25067 218 1 . 1 1 41 41 ALA HA H 41 3.895 3.895 3.924 -0.029 25067 219 1 . 1 1 41 41 ALA C C 41 179.163 179.163 179.580 -0.417 25067 220 1 . 1 1 41 41 ALA CA C 41 55.025 55.025 55.288 -0.263 25067 221 1 . 1 1 41 41 ALA CB C 41 18.695 18.695 18.258 0.437 25067 222 1 . 1 1 41 41 ALA H H 41 8.001 8.001 7.822 0.179 25067 223 1 . 1 1 42 42 GLU N N 42 117.330 117.330 118.008 -0.678 25067 224 1 . 1 1 42 42 GLU HA H 42 3.936 3.936 4.038 -0.102 25067 225 1 . 1 1 42 42 GLU C C 42 179.452 179.452 179.128 0.324 25067 226 1 . 1 1 42 42 GLU CA C 42 59.611 59.611 59.023 0.588 25067 227 1 . 1 1 42 42 GLU CB C 42 29.739 29.739 29.360 0.379 25067 228 1 . 1 1 42 42 GLU H H 42 8.197 8.197 7.947 0.250 25067 229 1 . 1 1 43 43 LYS N N 43 119.586 119.586 119.202 0.384 25067 230 1 . 1 1 43 43 LYS HA H 43 4.198 4.198 4.333 -0.135 25067 231 1 . 1 1 43 43 LYS C C 43 179.595 179.595 178.991 0.604 25067 232 1 . 1 1 43 43 LYS CA C 43 58.769 58.769 58.155 0.614 25067 233 1 . 1 1 43 43 LYS CB C 43 32.071 32.071 32.046 0.025 25067 234 1 . 1 1 43 43 LYS H H 43 8.119 8.119 7.915 0.204 25067 235 1 . 1 1 44 44 ALA N N 44 121.948 121.948 121.338 0.610 25067 236 1 . 1 1 44 44 ALA HA H 44 4.266 4.266 4.145 0.121 25067 237 1 . 1 1 44 44 ALA C C 44 178.937 178.937 179.076 -0.139 25067 238 1 . 1 1 44 44 ALA CA C 44 54.990 54.990 54.842 0.149 25067 239 1 . 1 1 44 44 ALA CB C 44 17.801 17.801 18.282 -0.481 25067 240 1 . 1 1 44 44 ALA H H 44 8.396 8.396 8.042 0.354 25067 241 1 . 1 1 45 45 ALA N N 45 118.814 118.814 120.511 -1.697 25067 242 1 . 1 1 45 45 ALA HA H 45 3.957 3.957 3.933 0.024 25067 243 1 . 1 1 45 45 ALA C C 45 178.887 178.887 179.192 -0.305 25067 244 1 . 1 1 45 45 ALA CA C 45 55.568 55.568 54.845 0.723 25067 245 1 . 1 1 45 45 ALA CB C 45 18.027 18.027 18.204 -0.177 25067 246 1 . 1 1 45 45 ALA H H 45 8.519 8.519 7.732 0.787 25067 247 1 . 1 1 46 46 ASP N N 46 116.930 116.930 118.603 -1.673 25067 248 1 . 1 1 46 46 ASP HA H 46 4.399 4.399 4.382 0.017 25067 249 1 . 1 1 46 46 ASP C C 46 178.020 178.020 178.531 -0.511 25067 250 1 . 1 1 46 46 ASP CA C 46 57.640 57.640 57.447 0.193 25067 251 1 . 1 1 46 46 ASP CB C 46 41.836 41.836 40.589 1.247 25067 252 1 . 1 1 46 46 ASP H H 46 7.852 7.852 8.008 -0.156 25067 253 1 . 1 1 47 47 LYS N N 47 119.467 119.467 118.996 0.471 25067 254 1 . 1 1 47 47 LYS HA H 47 4.093 4.093 4.143 -0.050 25067 255 1 . 1 1 47 47 LYS C C 47 178.924 178.924 178.994 -0.070 25067 256 1 . 1 1 47 47 LYS CA C 47 59.672 59.672 58.527 1.145 25067 257 1 . 1 1 47 47 LYS CB C 47 32.511 32.511 32.092 0.419 25067 258 1 . 1 1 47 47 LYS H H 47 7.692 7.692 7.561 0.131 25067 259 1 . 1 1 48 48 ILE N N 48 119.929 119.929 118.863 1.066 25067 260 1 . 1 1 48 48 ILE HA H 48 3.740 3.740 3.932 -0.192 25067 261 1 . 1 1 48 48 ILE C C 48 179.025 179.025 177.808 1.217 25067 262 1 . 1 1 48 48 ILE CA C 48 64.978 64.978 63.947 1.031 25067 263 1 . 1 1 48 48 ILE CB C 48 38.292 38.292 37.436 0.856 25067 264 1 . 1 1 48 48 ILE H H 48 8.585 8.585 7.724 0.861 25067 265 1 . 1 1 49 49 LYS N N 49 119.534 119.534 119.596 -0.062 25067 266 1 . 1 1 49 49 LYS HA H 49 4.017 4.017 4.044 -0.027 25067 267 1 . 1 1 49 49 LYS C C 49 179.025 179.025 178.193 0.832 25067 268 1 . 1 1 49 49 LYS CA C 49 59.647 59.647 58.816 0.831 25067 269 1 . 1 1 49 49 LYS CB C 49 32.601 32.601 32.436 0.165 25067 270 1 . 1 1 49 49 LYS H H 49 8.353 8.353 7.792 0.561 25067 271 1 . 1 1 50 50 LYS N N 50 117.423 117.423 116.651 0.772 25067 272 1 . 1 1 50 50 LYS HA H 50 4.216 4.216 4.167 0.049 25067 273 1 . 1 1 50 50 LYS C C 50 178.510 178.510 177.581 0.929 25067 274 1 . 1 1 50 50 LYS CA C 50 58.497 58.497 58.192 0.305 25067 275 1 . 1 1 50 50 LYS CB C 50 33.322 33.322 33.071 0.251 25067 276 1 . 1 1 50 50 LYS H H 50 7.996 7.996 7.704 0.292 25067 277 1 . 1 1 51 51 GLN N N 51 115.137 115.137 116.050 -0.913 25067 278 1 . 1 1 51 51 GLN HA H 51 4.481 4.481 4.459 0.022 25067 279 1 . 1 1 51 51 GLN C C 51 177.292 177.292 175.254 2.038 25067 280 1 . 1 1 51 51 GLN CA C 51 56.007 56.007 55.579 0.428 25067 281 1 . 1 1 51 51 GLN CB C 51 29.940 29.940 31.408 -1.468 25067 282 1 . 1 1 51 51 GLN H H 51 8.384 8.384 7.741 0.643 25067 283 1 . 1 1 52 52 GLY N N 52 109.119 109.119 109.626 -0.507 25067 284 1 . 1 1 52 52 GLY C C 52 174.391 174.391 174.006 0.385 25067 285 1 . 1 1 52 52 GLY CA C 52 46.560 46.560 45.192 1.368 25067 286 1 . 1 1 52 52 GLY H H 52 8.218 8.218 8.210 0.008 25067 287 1 . 1 1 53 53 CYS N N 53 116.935 116.935 121.642 -4.707 25067 288 1 . 1 1 53 53 CYS HA H 53 4.485 4.485 4.411 0.074 25067 289 1 . 1 1 53 53 CYS C C 53 173.989 173.989 175.374 -1.385 25067 290 1 . 1 1 53 53 CYS CA C 53 58.148 58.148 58.436 -0.288 25067 291 1 . 1 1 53 53 CYS CB C 53 28.714 28.714 27.233 1.481 25067 292 1 . 1 1 53 53 CYS H H 53 7.623 7.623 8.286 -0.663 25067 293 1 . 1 1 54 54 LYS N N 54 120.659 120.659 120.628 0.031 25067 294 1 . 1 1 54 54 LYS HA H 54 4.500 4.500 4.377 0.123 25067 295 1 . 1 1 54 54 LYS C C 54 174.793 174.793 176.211 -1.418 25067 296 1 . 1 1 54 54 LYS CA C 54 56.326 56.326 57.455 -1.129 25067 297 1 . 1 1 54 54 LYS CB C 54 33.710 33.710 32.880 0.830 25067 298 1 . 1 1 54 54 LYS H H 54 8.765 8.765 8.221 0.544 25067 299 1 . 1 1 55 55 ARG N N 55 117.927 117.927 119.233 -1.306 25067 300 1 . 1 1 55 55 ARG HA H 55 5.443 5.443 4.790 0.653 25067 301 1 . 1 1 55 55 ARG C C 55 174.517 174.517 173.929 0.588 25067 302 1 . 1 1 55 55 ARG CA C 55 54.589 54.589 55.386 -0.797 25067 303 1 . 1 1 55 55 ARG CB C 55 33.616 33.616 32.866 0.750 25067 304 1 . 1 1 55 55 ARG H H 55 7.603 7.603 7.637 -0.034 25067 305 1 . 1 1 56 56 VAL N N 56 122.079 122.079 125.657 -3.578 25067 306 1 . 1 1 56 56 VAL HA H 56 4.825 4.825 4.460 0.365 25067 307 1 . 1 1 56 56 VAL C C 56 173.311 173.311 174.659 -1.348 25067 308 1 . 1 1 56 56 VAL CA C 56 60.285 60.285 60.897 -0.612 25067 309 1 . 1 1 56 56 VAL CB C 56 34.930 34.930 34.473 0.457 25067 310 1 . 1 1 56 56 VAL H H 56 8.853 8.853 8.823 0.030 25067 311 1 . 1 1 57 57 LYS N N 57 125.849 125.849 126.628 -0.779 25067 312 1 . 1 1 57 57 LYS HA H 57 5.604 5.604 4.758 0.846 25067 313 1 . 1 1 57 57 LYS C C 57 174.881 174.881 174.968 -0.087 25067 314 1 . 1 1 57 57 LYS CA C 57 54.738 54.738 55.200 -0.462 25067 315 1 . 1 1 57 57 LYS CB C 57 35.935 35.935 34.865 1.070 25067 316 1 . 1 1 57 57 LYS H H 57 8.819 8.819 8.817 0.002 25067 317 1 . 1 1 58 58 ILE N N 58 125.213 125.213 125.533 -0.320 25067 318 1 . 1 1 58 58 ILE HA H 58 5.167 5.167 4.423 0.744 25067 319 1 . 1 1 58 58 ILE C C 58 174.981 174.981 174.590 0.391 25067 320 1 . 1 1 58 58 ILE CA C 58 60.596 60.596 60.796 -0.200 25067 321 1 . 1 1 58 58 ILE CB C 58 40.859 40.859 39.073 1.786 25067 322 1 . 1 1 58 58 ILE H H 58 9.204 9.204 8.620 0.584 25067 323 1 . 1 1 59 59 ARG N N 59 124.047 124.047 127.363 -3.316 25067 324 1 . 1 1 59 59 ARG HA H 59 6.101 6.101 5.159 0.942 25067 325 1 . 1 1 59 59 ARG C C 59 175.144 175.144 174.604 0.540 25067 326 1 . 1 1 59 59 ARG CA C 59 54.091 54.091 54.555 -0.464 25067 327 1 . 1 1 59 59 ARG CB C 59 36.035 36.035 33.896 2.139 25067 328 1 . 1 1 59 59 ARG H H 59 9.467 9.467 8.739 0.728 25067 329 1 . 1 1 60 60 PHE N N 60 113.223 113.223 123.936 -10.713 25067 330 1 . 1 1 60 60 PHE HA H 60 5.204 5.204 5.041 0.163 25067 331 1 . 1 1 60 60 PHE C C 60 173.110 173.110 173.220 -0.110 25067 332 1 . 1 1 60 60 PHE CA C 60 56.931 56.931 56.828 0.103 25067 333 1 . 1 1 60 60 PHE CB C 60 42.380 42.380 43.684 -1.304 25067 334 1 . 1 1 60 60 PHE H H 60 8.451 8.451 8.715 -0.264 25067 335 1 . 1 1 61 61 GLU N N 61 121.333 121.333 125.963 -4.630 25067 336 1 . 1 1 61 61 GLU HA H 61 4.644 4.644 4.353 0.291 25067 337 1 . 1 1 61 61 GLU C C 61 177.147 177.147 175.142 2.005 25067 338 1 . 1 1 61 61 GLU CA C 61 55.965 55.965 55.898 0.067 25067 339 1 . 1 1 61 61 GLU CB C 61 30.698 30.698 30.560 0.138 25067 340 1 . 1 1 61 61 GLU H H 61 9.572 9.572 8.069 1.503 25067 341 1 . 1 1 62 62 LYS N N 62 121.311 121.311 124.972 -3.661 25067 342 1 . 1 1 62 62 LYS HA H 62 4.343 4.343 4.413 -0.070 25067 343 1 . 1 1 62 62 LYS C C 62 177.398 177.398 175.628 1.770 25067 344 1 . 1 1 62 62 LYS CA C 62 58.185 58.185 55.180 3.005 25067 345 1 . 1 1 62 62 LYS CB C 62 32.937 32.937 33.232 -0.295 25067 346 1 . 1 1 62 62 LYS H H 62 8.160 8.160 8.271 -0.111 25067 347 1 . 1 1 63 63 LYS N N 63 120.742 120.742 121.328 -0.586 25067 348 1 . 1 1 63 63 LYS HA H 63 4.118 4.118 4.310 -0.192 25067 349 1 . 1 1 63 63 LYS C C 63 177.015 177.015 176.738 0.277 25067 350 1 . 1 1 63 63 LYS CA C 63 58.693 58.693 57.170 1.523 25067 351 1 . 1 1 63 63 LYS CB C 63 31.677 31.677 32.907 -1.230 25067 352 1 . 1 1 63 63 LYS H H 63 8.028 8.028 8.082 -0.054 25067 353 1 . 1 1 64 64 GLY C C 64 174.039 174.039 173.952 0.087 25067 354 1 . 1 1 64 64 GLY CA C 64 44.863 44.863 45.037 -0.174 25067 355 1 . 1 1 65 65 LEU N N 65 119.849 119.849 118.837 1.012 25067 356 1 . 1 1 65 65 LEU HA H 65 4.624 4.624 4.657 -0.033 25067 357 1 . 1 1 65 65 LEU C C 65 177.493 177.493 175.904 1.589 25067 358 1 . 1 1 65 65 LEU CA C 65 54.128 54.128 53.863 0.265 25067 359 1 . 1 1 65 65 LEU CB C 65 43.686 43.686 42.924 0.763 25067 360 1 . 1 1 65 65 LEU H H 65 7.836 7.836 7.512 0.324 25067 361 1 . 1 1 66 66 ASP N N 66 123.296 123.296 118.875 4.421 25067 362 1 . 1 1 66 66 ASP HA H 66 4.672 4.672 4.638 0.034 25067 363 1 . 1 1 66 66 ASP C C 66 175.471 175.471 176.391 -0.921 25067 364 1 . 1 1 66 66 ASP CA C 66 52.820 52.820 54.049 -1.228 25067 365 1 . 1 1 66 66 ASP CB C 66 41.017 41.017 42.624 -1.607 25067 366 1 . 1 1 66 66 ASP H H 66 8.226 8.226 8.181 0.045 25067 367 1 . 1 1 67 67 ASP N N 67 118.859 118.859 121.454 -2.595 25067 368 1 . 1 1 67 67 ASP HA H 67 4.243 4.243 4.320 -0.077 25067 369 1 . 1 1 67 67 ASP C C 67 178.121 178.121 177.642 0.479 25067 370 1 . 1 1 67 67 ASP CA C 67 58.473 58.473 57.074 1.399 25067 371 1 . 1 1 67 67 ASP CB C 67 41.067 41.067 41.052 0.015 25067 372 1 . 1 1 67 67 ASP H H 67 8.529 8.529 8.682 -0.153 25067 373 1 . 1 1 68 68 ASP N N 68 119.187 119.187 119.603 -0.416 25067 374 1 . 1 1 68 68 ASP HA H 68 4.340 4.340 4.429 -0.089 25067 375 1 . 1 1 68 68 ASP C C 68 177.807 177.807 177.885 -0.078 25067 376 1 . 1 1 68 68 ASP CA C 68 57.481 57.481 57.204 0.277 25067 377 1 . 1 1 68 68 ASP CB C 68 41.459 41.459 40.910 0.549 25067 378 1 . 1 1 68 68 ASP H H 68 8.244 8.244 8.220 0.024 25067 379 1 . 1 1 69 69 ALA N N 69 122.537 122.537 121.873 0.664 25067 380 1 . 1 1 69 69 ALA HA H 69 3.628 3.628 4.104 -0.476 25067 381 1 . 1 1 69 69 ALA C C 69 179.452 179.452 179.547 -0.095 25067 382 1 . 1 1 69 69 ALA CA C 69 55.016 55.016 54.852 0.164 25067 383 1 . 1 1 69 69 ALA CB C 69 19.163 19.163 18.413 0.750 25067 384 1 . 1 1 69 69 ALA H H 69 8.191 8.191 7.881 0.310 25067 385 1 . 1 1 70 70 ARG N N 70 115.799 115.799 118.791 -2.992 25067 386 1 . 1 1 70 70 ARG HA H 70 3.723 3.723 3.985 -0.262 25067 387 1 . 1 1 70 70 ARG C C 70 178.183 178.183 178.025 0.158 25067 388 1 . 1 1 70 70 ARG CA C 70 60.348 60.348 59.358 0.990 25067 389 1 . 1 1 70 70 ARG CB C 70 30.612 30.612 30.034 0.578 25067 390 1 . 1 1 70 70 ARG H H 70 8.419 8.419 8.158 0.261 25067 391 1 . 1 1 71 71 LYS N N 71 118.170 118.170 119.175 -1.005 25067 392 1 . 1 1 71 71 LYS HA H 71 3.837 3.837 3.997 -0.160 25067 393 1 . 1 1 71 71 LYS C C 71 179.891 179.891 178.907 0.984 25067 394 1 . 1 1 71 71 LYS CA C 71 59.650 59.650 59.303 0.347 25067 395 1 . 1 1 71 71 LYS CB C 71 32.419 32.419 32.123 0.296 25067 396 1 . 1 1 71 71 LYS H H 71 7.781 7.781 7.756 0.025 25067 397 1 . 1 1 72 72 LYS N N 72 119.730 119.730 118.579 1.151 25067 398 1 . 1 1 72 72 LYS HA H 72 3.736 3.736 4.061 -0.325 25067 399 1 . 1 1 72 72 LYS C C 72 178.874 178.874 178.813 0.061 25067 400 1 . 1 1 72 72 LYS CA C 72 59.573 59.573 58.679 0.894 25067 401 1 . 1 1 72 72 LYS CB C 72 32.393 32.393 31.961 0.432 25067 402 1 . 1 1 72 72 LYS H H 72 7.835 7.835 7.914 -0.078 25067 403 1 . 1 1 73 73 ALA N N 73 123.068 123.068 121.634 1.434 25067 404 1 . 1 1 73 73 ALA HA H 73 3.755 3.755 3.733 0.022 25067 405 1 . 1 1 73 73 ALA C C 73 178.246 178.246 179.234 -0.988 25067 406 1 . 1 1 73 73 ALA CA C 73 55.350 55.350 54.692 0.658 25067 407 1 . 1 1 73 73 ALA CB C 73 17.646 17.646 17.690 -0.044 25067 408 1 . 1 1 73 73 ALA H H 73 8.343 8.343 7.741 0.602 25067 409 1 . 1 1 74 74 LYS N N 74 117.936 117.936 118.923 -0.987 25067 410 1 . 1 1 74 74 LYS HA H 74 3.644 3.644 3.648 -0.004 25067 411 1 . 1 1 74 74 LYS C C 74 177.694 177.694 178.550 -0.856 25067 412 1 . 1 1 74 74 LYS CA C 74 60.321 60.321 59.314 1.007 25067 413 1 . 1 1 74 74 LYS CB C 74 32.675 32.675 32.084 0.591 25067 414 1 . 1 1 74 74 LYS H H 74 7.934 7.934 7.762 0.172 25067 415 1 . 1 1 75 75 LYS N N 75 116.863 116.863 119.308 -2.445 25067 416 1 . 1 1 75 75 LYS HA H 75 3.979 3.979 4.050 -0.071 25067 417 1 . 1 1 75 75 LYS C C 75 178.884 178.884 178.579 0.305 25067 418 1 . 1 1 75 75 LYS CA C 75 59.409 59.409 59.179 0.230 25067 419 1 . 1 1 75 75 LYS CB C 75 32.497 32.497 32.178 0.320 25067 420 1 . 1 1 75 75 LYS H H 75 7.371 7.371 7.654 -0.283 25067 421 1 . 1 1 76 76 TRP N N 76 121.108 121.108 121.451 -0.343 25067 422 1 . 1 1 76 76 TRP HA H 76 4.197 4.197 4.250 -0.053 25067 423 1 . 1 1 76 76 TRP C C 76 177.618 177.618 177.814 -0.196 25067 424 1 . 1 1 76 76 TRP CA C 76 61.726 61.726 61.422 0.304 25067 425 1 . 1 1 76 76 TRP CB C 76 29.993 29.993 29.182 0.811 25067 426 1 . 1 1 76 76 TRP H H 76 8.156 8.156 8.021 0.135 25067 427 1 . 1 1 77 77 ALA N N 77 120.099 120.099 120.633 -0.534 25067 428 1 . 1 1 77 77 ALA HA H 77 4.099 4.099 3.820 0.279 25067 429 1 . 1 1 77 77 ALA C C 77 179.125 179.125 179.781 -0.656 25067 430 1 . 1 1 77 77 ALA CA C 77 55.648 55.648 54.978 0.670 25067 431 1 . 1 1 77 77 ALA CB C 77 18.319 18.319 18.315 0.004 25067 432 1 . 1 1 77 77 ALA H H 77 8.883 8.883 8.054 0.829 25067 433 1 . 1 1 78 78 LEU N N 78 116.584 116.584 118.849 -2.265 25067 434 1 . 1 1 78 78 LEU HA H 78 4.131 4.131 3.964 0.167 25067 435 1 . 1 1 78 78 LEU C C 78 179.828 179.828 179.197 0.631 25067 436 1 . 1 1 78 78 LEU CA C 78 57.843 57.843 57.632 0.211 25067 437 1 . 1 1 78 78 LEU CB C 78 41.698 41.698 41.736 -0.038 25067 438 1 . 1 1 78 78 LEU H H 78 8.238 8.238 7.752 0.486 25067 439 1 . 1 1 79 79 GLU N N 79 121.435 121.435 119.401 2.035 25067 440 1 . 1 1 79 79 GLU HA H 79 4.103 4.103 3.971 0.132 25067 441 1 . 1 1 79 79 GLU C C 79 180.004 180.004 179.319 0.685 25067 442 1 . 1 1 79 79 GLU CA C 79 59.370 59.370 59.302 0.068 25067 443 1 . 1 1 79 79 GLU CB C 79 29.122 29.122 29.367 -0.245 25067 444 1 . 1 1 79 79 GLU H H 79 8.296 8.296 7.893 0.403 25067 445 1 . 1 1 80 80 VAL N N 80 122.863 122.863 119.473 3.390 25067 446 1 . 1 1 80 80 VAL HA H 80 3.355 3.355 3.436 -0.081 25067 447 1 . 1 1 80 80 VAL C C 80 177.044 177.044 177.527 -0.483 25067 448 1 . 1 1 80 80 VAL CA C 80 66.469 66.469 66.312 0.157 25067 449 1 . 1 1 80 80 VAL CB C 80 30.698 30.698 30.898 -0.200 25067 450 1 . 1 1 80 80 VAL H H 80 8.603 8.603 7.955 0.648 25067 451 1 . 1 1 81 81 ALA N N 81 122.490 122.490 121.918 0.572 25067 452 1 . 1 1 81 81 ALA HA H 81 3.733 3.733 3.853 -0.120 25067 453 1 . 1 1 81 81 ALA C C 81 178.529 178.529 179.545 -1.016 25067 454 1 . 1 1 81 81 ALA CA C 81 55.645 55.645 55.385 0.260 25067 455 1 . 1 1 81 81 ALA CB C 81 18.415 18.415 18.210 0.205 25067 456 1 . 1 1 81 81 ALA H H 81 7.684 7.684 7.669 0.015 25067 457 1 . 1 1 82 82 ASN N N 82 114.569 114.569 115.181 -0.612 25067 458 1 . 1 1 82 82 ASN HA H 82 4.378 4.378 4.458 -0.080 25067 459 1 . 1 1 82 82 ASN C C 82 177.505 177.505 177.545 -0.040 25067 460 1 . 1 1 82 82 ASN CA C 82 56.203 56.203 55.792 0.411 25067 461 1 . 1 1 82 82 ASN CB C 82 38.834 38.834 38.456 0.378 25067 462 1 . 1 1 82 82 ASN H H 82 7.752 7.752 8.108 -0.356 25067 463 1 . 1 1 83 83 LYS N N 83 121.384 121.384 121.512 -0.128 25067 464 1 . 1 1 83 83 LYS HA H 83 4.094 4.094 4.070 0.024 25067 465 1 . 1 1 83 83 LYS C C 83 179.037 179.037 178.595 0.441 25067 466 1 . 1 1 83 83 LYS CA C 83 59.075 59.075 58.593 0.482 25067 467 1 . 1 1 83 83 LYS CB C 83 32.148 32.148 31.996 0.152 25067 468 1 . 1 1 83 83 LYS H H 83 8.343 8.343 7.709 0.634 25067 469 1 . 1 1 84 84 ILE N N 84 120.298 120.298 118.738 1.560 25067 470 1 . 1 1 84 84 ILE HA H 84 3.485 3.485 3.727 -0.242 25067 471 1 . 1 1 84 84 ILE C C 84 177.063 177.063 177.881 -0.818 25067 472 1 . 1 1 84 84 ILE CA C 84 66.188 66.188 64.993 1.195 25067 473 1 . 1 1 84 84 ILE CB C 84 38.388 38.388 37.775 0.613 25067 474 1 . 1 1 84 84 ILE H H 84 8.496 8.496 7.847 0.649 25067 475 1 . 1 1 85 85 ALA HA H 85 3.816 3.816 3.934 -0.118 25067 476 1 . 1 1 85 85 ALA C C 85 179.891 179.891 179.259 0.632 25067 477 1 . 1 1 85 85 ALA CA C 85 55.791 55.791 55.117 0.674 25067 478 1 . 1 1 85 85 ALA CB C 85 18.048 18.048 18.169 -0.121 25067 479 1 . 1 1 85 85 ALA H H 85 7.768 7.768 7.884 -0.116 25067 480 1 . 1 1 86 86 ASN N N 86 116.155 116.155 115.745 0.410 25067 481 1 . 1 1 86 86 ASN HA H 86 4.535 4.535 4.469 0.066 25067 482 1 . 1 1 86 86 ASN C C 86 178.423 178.423 177.285 1.138 25067 483 1 . 1 1 86 86 ASN CA C 86 56.106 56.106 55.603 0.503 25067 484 1 . 1 1 86 86 ASN CB C 86 38.784 38.784 38.583 0.201 25067 485 1 . 1 1 86 86 ASN H H 86 8.355 8.355 7.884 0.472 25067 486 1 . 1 1 87 87 GLU N N 87 120.806 120.806 119.079 1.727 25067 487 1 . 1 1 87 87 GLU HA H 87 4.176 4.176 4.115 0.061 25067 488 1 . 1 1 87 87 GLU C C 87 178.381 178.381 177.972 0.409 25067 489 1 . 1 1 87 87 GLU CA C 87 58.909 58.909 58.437 0.472 25067 490 1 . 1 1 87 87 GLU CB C 87 29.652 29.652 29.650 0.002 25067 491 1 . 1 1 87 87 GLU H H 87 8.431 8.431 7.945 0.486 25067 492 1 . 1 1 88 88 LEU N N 88 115.825 115.825 116.102 -0.277 25067 493 1 . 1 1 88 88 LEU HA H 88 4.356 4.356 4.502 -0.146 25067 494 1 . 1 1 88 88 LEU C C 88 177.442 177.442 177.560 -0.118 25067 495 1 . 1 1 88 88 LEU CA C 88 54.577 54.577 54.802 -0.225 25067 496 1 . 1 1 88 88 LEU CB C 88 43.500 43.500 42.403 1.097 25067 497 1 . 1 1 88 88 LEU H H 88 7.547 7.547 7.640 -0.093 25067 498 1 . 1 1 89 89 GLY N N 89 109.579 109.579 107.025 2.554 25067 499 1 . 1 1 89 89 GLY C C 89 174.321 174.321 173.947 0.374 25067 500 1 . 1 1 89 89 GLY CA C 89 46.508 46.508 45.499 1.009 25067 501 1 . 1 1 89 89 GLY H H 89 7.934 7.934 7.802 0.132 25067 502 1 . 1 1 90 90 ALA N N 90 120.990 120.990 122.244 -1.254 25067 503 1 . 1 1 90 90 ALA HA H 90 4.649 4.649 4.336 0.313 25067 504 1 . 1 1 90 90 ALA C C 90 177.053 177.053 176.170 0.883 25067 505 1 . 1 1 90 90 ALA CA C 90 51.074 51.074 52.120 -1.046 25067 506 1 . 1 1 90 90 ALA CB C 90 21.819 21.819 20.047 1.772 25067 507 1 . 1 1 90 90 ALA H H 90 8.017 8.017 7.780 0.237 25067 508 1 . 1 1 91 91 LYS N N 91 120.615 120.615 119.284 1.331 25067 509 1 . 1 1 91 91 LYS HA H 91 4.416 4.416 4.413 0.003 25067 510 1 . 1 1 91 91 LYS C C 91 175.765 175.765 176.101 -0.336 25067 511 1 . 1 1 91 91 LYS CA C 91 56.179 56.179 55.907 0.272 25067 512 1 . 1 1 91 91 LYS CB C 91 32.742 32.742 33.605 -0.862 25067 513 1 . 1 1 91 91 LYS H H 91 8.366 8.366 8.312 0.054 25067 514 1 . 1 1 92 92 GLN N N 92 119.273 119.273 118.240 1.033 25067 515 1 . 1 1 92 92 GLN HA H 92 5.161 5.161 4.476 0.685 25067 516 1 . 1 1 92 92 GLN C C 92 175.136 175.136 175.146 -0.010 25067 517 1 . 1 1 92 92 GLN CA C 92 54.110 54.110 55.359 -1.249 25067 518 1 . 1 1 92 92 GLN CB C 92 30.681 30.681 30.700 -0.019 25067 519 1 . 1 1 92 92 GLN H H 92 8.495 8.495 8.334 0.161 25067 520 1 . 1 1 93 93 SER N N 93 117.003 117.003 114.315 2.688 25067 521 1 . 1 1 93 93 SER HA H 93 4.781 4.781 4.866 -0.085 25067 522 1 . 1 1 93 93 SER C C 93 173.735 173.735 174.163 -0.428 25067 523 1 . 1 1 93 93 SER CA C 93 57.819 57.819 57.139 0.680 25067 524 1 . 1 1 93 93 SER CB C 93 64.648 64.648 65.091 -0.443 25067 525 1 . 1 1 93 93 SER H H 93 8.441 8.441 8.312 0.129 25067 526 1 . 1 1 94 94 THR HA H 94 4.781 4.781 4.562 0.219 25067 527 1 . 1 1 94 94 THR CA C 94 61.111 61.111 61.325 -0.213 25067 528 1 . 1 1 94 94 THR CB C 94 71.032 71.032 69.738 1.294 25067 529 1 . 1 1 95 95 THR N N 95 119.923 119.923 121.431 -1.508 25067 530 1 . 1 1 95 95 THR HA H 95 5.098 5.098 4.635 0.463 25067 531 1 . 1 1 95 95 THR CA C 95 60.438 60.438 60.683 -0.245 25067 532 1 . 1 1 95 95 THR CB C 95 70.780 70.780 70.236 0.544 25067 533 1 . 1 1 95 95 THR H H 95 8.762 8.762 8.435 0.327 25067 534 1 . 1 1 96 96 THR HA H 96 4.367 4.367 4.541 -0.174 25067 535 1 . 1 1 96 96 THR CA C 96 61.740 61.740 62.010 -0.270 25067 536 1 . 1 1 96 96 THR CB C 96 70.992 70.992 70.106 0.886 25067 537 1 . 1 1 97 97 THR N N 97 120.315 120.315 120.199 0.116 25067 538 1 . 1 1 97 97 THR HA H 97 5.363 5.363 4.660 0.703 25067 539 1 . 1 1 97 97 THR CA C 97 61.379 61.379 61.531 -0.152 25067 540 1 . 1 1 97 97 THR CB C 97 71.216 71.216 69.908 1.308 25067 541 1 . 1 1 97 97 THR H H 97 8.999 8.999 8.517 0.482 25067 542 1 . 1 1 98 98 ASP HA H 98 5.192 5.192 4.695 0.497 25067 543 1 . 1 1 98 98 ASP C C 98 175.672 175.672 176.699 -1.027 25067 544 1 . 1 1 98 98 ASP CA C 98 52.593 52.593 54.249 -1.656 25067 545 1 . 1 1 98 98 ASP CB C 98 41.735 41.735 42.362 -0.627 25067 546 1 . 1 1 99 99 GLY N N 99 111.919 111.919 108.761 3.158 25067 547 1 . 1 1 99 99 GLY C C 99 174.049 174.049 174.494 -0.445 25067 548 1 . 1 1 99 99 GLY CA C 99 45.026 45.026 46.192 -1.166 25067 549 1 . 1 1 99 99 GLY H H 99 7.817 7.817 8.484 -0.667 25067 550 1 . 1 1 100 100 ASP HA H 100 4.554 4.554 4.673 -0.119 25067 551 1 . 1 1 100 100 ASP C C 100 177.518 177.518 175.818 1.700 25067 552 1 . 1 1 100 100 ASP CA C 100 57.488 57.488 55.393 2.095 25067 553 1 . 1 1 100 100 ASP CB C 100 41.637 41.637 41.934 -0.297 25067 554 1 . 1 1 101 101 THR N N 101 112.835 112.835 114.426 -1.591 25067 555 1 . 1 1 101 101 THR HA H 101 4.613 4.613 4.535 0.078 25067 556 1 . 1 1 101 101 THR C C 101 173.003 173.003 173.230 -0.228 25067 557 1 . 1 1 101 101 THR CA C 101 60.857 60.857 62.356 -1.499 25067 558 1 . 1 1 101 101 THR CB C 101 70.589 70.589 70.447 0.142 25067 559 1 . 1 1 101 101 THR H H 101 7.819 7.819 7.887 -0.068 25067 560 1 . 1 1 102 102 PHE N N 102 126.633 126.633 126.035 0.598 25067 561 1 . 1 1 102 102 PHE HA H 102 4.891 4.891 4.864 0.027 25067 562 1 . 1 1 102 102 PHE C C 102 173.286 173.286 173.508 -0.222 25067 563 1 . 1 1 102 102 PHE CA C 102 57.173 57.173 57.231 -0.058 25067 564 1 . 1 1 102 102 PHE CB C 102 40.719 40.719 41.530 -0.811 25067 565 1 . 1 1 102 102 PHE H H 102 8.581 8.581 8.780 -0.199 25067 566 1 . 1 1 103 103 GLU N N 103 125.528 125.528 128.416 -2.889 25067 567 1 . 1 1 103 103 GLU HA H 103 5.237 5.237 5.141 0.096 25067 568 1 . 1 1 103 103 GLU C C 103 173.851 173.851 174.477 -0.626 25067 569 1 . 1 1 103 103 GLU CA C 103 54.060 54.060 54.310 -0.250 25067 570 1 . 1 1 103 103 GLU CB C 103 34.318 34.318 33.304 1.014 25067 571 1 . 1 1 103 103 GLU H H 103 7.986 7.986 8.519 -0.533 25067 572 1 . 1 1 104 104 VAL N N 104 124.582 124.582 126.279 -1.697 25067 573 1 . 1 1 104 104 VAL HA H 104 4.644 4.644 4.447 0.197 25067 574 1 . 1 1 104 104 VAL C C 104 173.763 173.763 174.509 -0.746 25067 575 1 . 1 1 104 104 VAL CA C 104 59.963 59.963 61.056 -1.093 25067 576 1 . 1 1 104 104 VAL CB C 104 34.370 34.370 33.280 1.090 25067 577 1 . 1 1 104 104 VAL H H 104 9.245 9.245 8.753 0.492 25067 578 1 . 1 1 105 105 GLU N N 105 127.755 127.755 128.755 -1.000 25067 579 1 . 1 1 105 105 GLU HA H 105 5.252 5.252 4.791 0.461 25067 580 1 . 1 1 105 105 GLU C C 105 174.572 174.572 175.151 -0.579 25067 581 1 . 1 1 105 105 GLU CA C 105 54.359 54.359 54.847 -0.488 25067 582 1 . 1 1 105 105 GLU CB C 105 32.818 32.818 31.516 1.302 25067 583 1 . 1 1 105 105 GLU H H 105 9.040 9.040 8.627 0.413 25067 584 1 . 1 1 106 106 VAL N N 106 127.452 127.452 126.654 0.798 25067 585 1 . 1 1 106 106 VAL HA H 106 4.768 4.768 4.211 0.556 25067 586 1 . 1 1 106 106 VAL C C 106 174.692 174.692 174.786 -0.094 25067 587 1 . 1 1 106 106 VAL CA C 106 60.423 60.423 61.584 -1.161 25067 588 1 . 1 1 106 106 VAL CB C 106 34.142 34.142 31.991 2.151 25067 589 1 . 1 1 106 106 VAL H H 106 9.315 9.315 8.694 0.621 25067 590 1 . 1 1 107 107 ILE N N 107 127.006 127.006 129.038 -2.032 25067 591 1 . 1 1 107 107 ILE HA H 107 4.617 4.617 4.376 0.241 25067 592 1 . 1 1 107 107 ILE C C 107 176.187 176.187 175.256 0.931 25067 593 1 . 1 1 107 107 ILE CA C 107 60.406 60.406 59.610 0.795 25067 594 1 . 1 1 107 107 ILE CB C 107 38.521 38.521 36.833 1.688 25067 595 1 . 1 1 107 107 ILE H H 107 8.814 8.814 8.281 0.533 25067 596 1 . 1 1 108 108 LEU N N 108 128.313 128.313 129.266 -0.953 25067 597 1 . 1 1 108 108 LEU HA H 108 4.757 4.757 4.546 0.211 25067 598 1 . 1 1 108 108 LEU C C 108 176.058 176.058 175.986 0.072 25067 599 1 . 1 1 108 108 LEU CA C 108 54.124 54.124 53.847 0.277 25067 600 1 . 1 1 108 108 LEU CB C 108 43.074 43.074 41.812 1.262 25067 601 1 . 1 1 108 108 LEU H H 108 8.652 8.652 8.191 0.461 25067 602 1 . 1 1 109 109 GLU HA H 109 4.532 4.532 4.430 0.102 25067 603 1 . 1 1 109 109 GLU C C 109 175.408 175.408 175.587 -0.179 25067 604 1 . 1 1 109 109 GLU CA C 109 55.361 55.361 55.835 -0.473 25067 605 1 . 1 1 109 109 GLU CB C 109 30.647 30.647 29.454 1.193 25067 606 1 . 1 1 110 110 LEU N N 110 125.467 125.467 125.560 -0.093 25067 607 1 . 1 1 110 110 LEU HA H 110 4.401 4.401 4.492 -0.091 25067 608 1 . 1 1 110 110 LEU C C 110 176.854 176.854 176.963 -0.109 25067 609 1 . 1 1 110 110 LEU CA C 110 54.969 54.969 54.209 0.760 25067 610 1 . 1 1 110 110 LEU CB C 110 42.515 42.515 41.823 0.692 25067 611 1 . 1 1 110 110 LEU H H 110 8.402 8.402 8.184 0.218 25067 612 1 . 1 1 111 111 GLU N N 111 121.575 121.575 121.847 -0.272 25067 613 1 . 1 1 111 111 GLU HA H 111 4.261 4.261 4.164 0.097 25067 614 1 . 1 1 111 111 GLU CA C 111 56.521 56.521 56.935 -0.414 25067 615 1 . 1 1 111 111 GLU CB C 111 30.291 30.291 29.325 0.966 25067 616 1 . 1 1 111 111 GLU H H 111 8.607 8.607 8.469 0.138 25067 stop_ save_