data_19789 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19789 _Entry.PDB_ID 2MKP 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 19789 _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 3 3 ASP N N 3 122.928 122.928 121.618 1.310 19789 2 1 1 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.400 0.066 19789 3 1 1 . 1 1 3 3 ASP H H 3 8.538 8.538 8.562 -0.024 19789 4 1 1 . 1 1 4 4 ILE N N 4 119.305 119.305 119.841 -0.536 19789 5 1 1 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.857 0.054 19789 6 1 1 . 1 1 4 4 ILE CA C 4 63.825 63.825 63.135 0.690 19789 7 1 1 . 1 1 4 4 ILE CB C 4 37.641 37.641 38.089 -0.448 19789 8 1 1 . 1 1 4 4 ILE H H 4 8.236 8.236 8.276 -0.040 19789 9 1 1 . 1 1 5 5 TYR N N 5 120.903 120.903 116.957 3.946 19789 10 1 1 . 1 1 5 5 TYR H H 5 7.618 7.618 6.895 0.723 19789 11 1 1 . 1 1 6 6 LYS N N 6 120.946 120.946 121.253 -0.307 19789 12 1 1 . 1 1 6 6 LYS H H 6 7.894 7.894 7.758 0.136 19789 13 1 1 . 1 1 7 7 ALA N N 7 120.284 120.284 120.656 -0.372 19789 14 1 1 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.356 -0.353 19789 15 1 1 . 1 1 7 7 ALA H H 7 7.934 7.934 7.372 0.562 19789 16 1 1 . 1 1 8 8 ALA N N 8 119.988 119.988 121.612 -1.624 19789 17 1 1 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.310 0.090 19789 18 1 1 . 1 1 8 8 ALA H H 8 7.501 7.501 7.558 -0.057 19789 19 1 1 . 1 1 9 9 VAL N N 9 119.175 119.175 119.429 -0.254 19789 20 1 1 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.812 -0.252 19789 21 1 1 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.525 0.851 19789 22 1 1 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.462 0.294 19789 23 1 1 . 1 1 9 9 VAL H H 9 8.077 8.077 7.986 0.091 19789 24 1 1 . 1 1 10 10 GLU N N 10 118.387 118.387 117.504 0.883 19789 25 1 1 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.097 0.020 19789 26 1 1 . 1 1 10 10 GLU H H 10 7.802 7.802 7.711 0.091 19789 27 1 1 . 1 1 11 11 GLN N N 11 114.922 114.922 117.744 -2.822 19789 28 1 1 . 1 1 11 11 GLN H H 11 7.377 7.377 7.573 -0.196 19789 29 1 1 . 1 1 12 12 LEU N N 12 120.676 120.676 120.886 -0.210 19789 30 1 1 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.531 -0.012 19789 31 1 1 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.872 1.331 19789 32 1 1 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.829 -1.735 19789 33 1 1 . 1 1 12 12 LEU H H 12 7.388 7.388 7.342 0.046 19789 34 1 1 . 1 1 13 13 THR N N 13 113.723 113.723 113.860 -0.137 19789 35 1 1 . 1 1 13 13 THR HA H 13 4.438 4.438 4.616 -0.178 19789 36 1 1 . 1 1 13 13 THR CA C 13 60.944 60.944 60.167 0.777 19789 37 1 1 . 1 1 13 13 THR H H 13 8.875 8.875 8.161 0.714 19789 38 1 1 . 1 1 14 14 GLU N N 14 121.739 121.739 121.714 0.025 19789 39 1 1 . 1 1 14 14 GLU H H 14 9.003 9.003 8.993 0.010 19789 40 1 1 . 1 1 15 15 GLU N N 15 117.808 117.808 119.059 -1.251 19789 41 1 1 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.047 0.031 19789 42 1 1 . 1 1 15 15 GLU H H 15 8.538 8.538 7.693 0.845 19789 43 1 1 . 1 1 16 16 GLN N N 16 119.080 119.080 117.815 1.265 19789 44 1 1 . 1 1 16 16 GLN HA H 16 3.907 3.907 3.952 -0.045 19789 45 1 1 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.689 1.333 19789 46 1 1 . 1 1 16 16 GLN H H 16 7.875 7.875 7.902 -0.027 19789 47 1 1 . 1 1 17 17 LYS N N 17 118.934 118.934 120.716 -1.782 19789 48 1 1 . 1 1 17 17 LYS H H 17 8.650 8.650 7.790 0.860 19789 49 1 1 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.351 0.206 19789 50 1 1 . 1 1 18 18 ASN CA C 18 56.041 56.041 55.867 0.174 19789 51 1 1 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.061 -0.213 19789 52 1 1 . 1 1 19 19 GLU N N 19 123.449 123.449 119.232 4.217 19789 53 1 1 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.115 0.067 19789 54 1 1 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.873 1.284 19789 55 1 1 . 1 1 19 19 GLU CB C 19 29.385 29.385 29.833 -0.448 19789 56 1 1 . 1 1 19 19 GLU H H 19 8.131 8.131 8.083 0.048 19789 57 1 1 . 1 1 20 20 PHE N N 20 117.873 117.873 119.281 -1.408 19789 58 1 1 . 1 1 20 20 PHE H H 20 8.645 8.645 7.789 0.856 19789 59 1 1 . 1 1 21 21 LYS N N 21 122.555 122.555 118.977 3.578 19789 60 1 1 . 1 1 21 21 LYS H H 21 8.781 8.781 8.538 0.243 19789 61 1 1 . 1 1 22 22 ALA N N 22 121.657 121.657 121.428 0.229 19789 62 1 1 . 1 1 22 22 ALA CB C 22 17.683 17.683 17.961 -0.278 19789 63 1 1 . 1 1 22 22 ALA H H 22 7.844 7.844 7.496 0.348 19789 64 1 1 . 1 1 23 23 ALA N N 23 119.044 119.044 122.035 -2.991 19789 65 1 1 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.349 0.090 19789 66 1 1 . 1 1 23 23 ALA H H 23 8.141 8.141 7.825 0.316 19789 67 1 1 . 1 1 24 24 PHE N N 24 121.051 121.051 116.728 4.323 19789 68 1 1 . 1 1 24 24 PHE H H 24 8.942 8.942 8.529 0.413 19789 69 1 1 . 1 1 25 25 ASP N N 25 116.425 116.425 117.731 -1.306 19789 70 1 1 . 1 1 25 25 ASP H H 25 8.546 8.546 7.439 1.107 19789 71 1 1 . 1 1 26 26 ILE N N 26 119.584 119.584 120.226 -0.642 19789 72 1 1 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.776 -0.043 19789 73 1 1 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.062 -0.201 19789 74 1 1 . 1 1 26 26 ILE H H 26 7.314 7.314 7.532 -0.218 19789 75 1 1 . 1 1 27 27 PHE N N 27 120.837 120.837 118.671 2.166 19789 76 1 1 . 1 1 27 27 PHE H H 27 8.103 8.103 8.589 -0.486 19789 77 1 1 . 1 1 28 28 VAL N N 28 107.855 107.855 116.890 -9.035 19789 78 1 1 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.705 -0.706 19789 79 1 1 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.551 1.203 19789 80 1 1 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.970 -1.461 19789 81 1 1 . 1 1 28 28 VAL H H 28 7.555 7.555 7.859 -0.304 19789 82 1 1 . 1 1 29 29 LEU N N 29 125.187 125.187 125.024 0.163 19789 83 1 1 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.562 0.841 19789 84 1 1 . 1 1 29 29 LEU H H 29 7.229 7.229 7.453 -0.224 19789 85 1 1 . 1 1 30 30 GLY N N 30 111.816 111.816 112.743 -0.927 19789 86 1 1 . 1 1 30 30 GLY H H 30 8.799 8.799 8.043 0.756 19789 87 1 1 . 1 1 31 31 ALA N N 31 124.151 124.151 121.939 2.212 19789 88 1 1 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.957 -0.184 19789 89 1 1 . 1 1 31 31 ALA H H 31 7.946 7.946 7.699 0.247 19789 90 1 1 . 1 1 32 32 GLU N N 32 124.621 124.621 120.318 4.303 19789 91 1 1 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.238 -0.153 19789 92 1 1 . 1 1 32 32 GLU H H 32 9.102 9.102 8.608 0.494 19789 93 1 1 . 1 1 33 33 ASP N N 33 115.935 115.935 117.857 -1.922 19789 94 1 1 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.713 0.021 19789 95 1 1 . 1 1 33 33 ASP H H 33 8.199 8.199 8.387 -0.188 19789 96 1 1 . 1 1 34 34 GLY N N 34 105.713 105.713 109.002 -3.289 19789 97 1 1 . 1 1 34 34 GLY H H 34 7.653 7.653 8.338 -0.685 19789 98 1 1 . 1 1 35 35 CYS N N 35 113.447 113.447 117.022 -3.575 19789 99 1 1 . 1 1 35 35 CYS H H 35 7.621 7.621 7.681 -0.060 19789 100 1 1 . 1 1 36 36 ILE N N 36 119.384 119.384 116.499 2.885 19789 101 1 1 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.387 -0.521 19789 102 1 1 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.105 -1.641 19789 103 1 1 . 1 1 36 36 ILE H H 36 8.793 8.793 7.940 0.853 19789 104 1 1 . 1 1 37 37 SER N N 37 125.951 125.951 120.254 5.697 19789 105 1 1 . 1 1 37 37 SER H H 37 9.421 9.421 8.787 0.634 19789 106 1 1 . 1 1 38 38 THR N N 38 112.286 112.286 114.623 -2.337 19789 107 1 1 . 1 1 38 38 THR HA H 38 3.726 3.726 3.775 -0.049 19789 108 1 1 . 1 1 38 38 THR CA C 38 66.708 66.708 65.306 1.402 19789 109 1 1 . 1 1 38 38 THR H H 38 8.816 8.816 8.064 0.752 19789 110 1 1 . 1 1 39 39 LYS N N 39 122.672 122.672 122.236 0.436 19789 111 1 1 . 1 1 39 39 LYS H H 39 8.016 8.016 8.564 -0.548 19789 112 1 1 . 1 1 40 40 GLU N N 40 119.098 119.098 116.661 2.437 19789 113 1 1 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.284 -0.100 19789 114 1 1 . 1 1 40 40 GLU H H 40 7.705 7.705 8.487 -0.782 19789 115 1 1 . 1 1 41 41 LEU N N 41 119.205 119.205 121.039 -1.834 19789 116 1 1 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.054 0.056 19789 117 1 1 . 1 1 41 41 LEU CA C 41 57.688 57.688 58.459 -0.771 19789 118 1 1 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.672 0.838 19789 119 1 1 . 1 1 41 41 LEU H H 41 8.356 8.356 8.011 0.345 19789 120 1 1 . 1 1 42 42 GLY N N 42 105.741 105.741 106.283 -0.542 19789 121 1 1 . 1 1 42 42 GLY H H 42 8.422 8.422 8.461 -0.039 19789 122 1 1 . 1 1 43 43 LYS N N 43 120.666 120.666 121.454 -0.788 19789 123 1 1 . 1 1 43 43 LYS H H 43 7.265 7.265 7.461 -0.196 19789 124 1 1 . 1 1 44 44 VAL N N 44 119.328 119.328 116.330 2.998 19789 125 1 1 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.989 -0.533 19789 126 1 1 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.339 1.048 19789 127 1 1 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.317 0.319 19789 128 1 1 . 1 1 44 44 VAL H H 44 7.488 7.488 8.409 -0.921 19789 129 1 1 . 1 1 45 45 MET N N 45 116.122 116.122 120.363 -4.241 19789 130 1 1 . 1 1 45 45 MET HA H 45 4.171 4.171 4.022 0.149 19789 131 1 1 . 1 1 45 45 MET H H 45 8.357 8.357 7.523 0.834 19789 132 1 1 . 1 1 46 46 ARG N N 46 118.799 118.799 119.092 -0.293 19789 133 1 1 . 1 1 46 46 ARG H H 46 8.115 8.115 7.682 0.433 19789 134 1 1 . 1 1 47 47 MET N N 47 122.183 122.183 116.135 6.048 19789 135 1 1 . 1 1 47 47 MET HA H 47 4.233 4.233 4.275 -0.042 19789 136 1 1 . 1 1 47 47 MET H H 47 7.866 7.866 7.824 0.042 19789 137 1 1 . 1 1 48 48 LEU N N 48 117.213 117.213 119.190 -1.977 19789 138 1 1 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.246 0.111 19789 139 1 1 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.777 -1.099 19789 140 1 1 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.845 -1.218 19789 141 1 1 . 1 1 48 48 LEU H H 48 7.499 7.499 7.707 -0.208 19789 142 1 1 . 1 1 49 49 GLY N N 49 107.154 107.154 105.511 1.643 19789 143 1 1 . 1 1 49 49 GLY H H 49 7.841 7.841 7.784 0.057 19789 144 1 1 . 1 1 50 50 GLN N N 50 118.411 118.411 119.331 -0.920 19789 145 1 1 . 1 1 50 50 GLN H H 50 8.014 8.014 7.898 0.116 19789 146 1 1 . 1 1 51 51 ASN N N 51 116.615 116.615 117.232 -0.617 19789 147 1 1 . 1 1 51 51 ASN H H 51 8.716 8.716 8.663 0.053 19789 148 1 1 . 1 1 53 53 THR N N 53 113.821 113.821 113.723 0.098 19789 149 1 1 . 1 1 53 53 THR H H 53 8.801 8.801 8.388 0.413 19789 150 1 1 . 1 1 55 55 GLU N N 55 117.313 117.313 118.081 -0.768 19789 151 1 1 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.228 -0.206 19789 152 1 1 . 1 1 55 55 GLU H H 55 8.751 8.751 8.368 0.383 19789 153 1 1 . 1 1 56 56 GLU N N 56 121.618 121.618 120.677 0.941 19789 154 1 1 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.420 -0.422 19789 155 1 1 . 1 1 56 56 GLU H H 56 7.803 7.803 7.628 0.175 19789 156 1 1 . 1 1 57 57 LEU N N 57 119.131 119.131 121.252 -2.121 19789 157 1 1 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.781 0.267 19789 158 1 1 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.321 -0.474 19789 159 1 1 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.733 0.909 19789 160 1 1 . 1 1 57 57 LEU H H 57 8.179 8.179 8.560 -0.381 19789 161 1 1 . 1 1 58 58 GLN N N 58 117.777 117.777 118.246 -0.469 19789 162 1 1 . 1 1 58 58 GLN H H 58 7.945 7.945 8.138 -0.193 19789 163 1 1 . 1 1 59 59 GLU N N 59 119.087 119.087 120.021 -0.934 19789 164 1 1 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.947 0.100 19789 165 1 1 . 1 1 59 59 GLU H H 59 7.887 7.887 8.822 -0.935 19789 166 1 1 . 1 1 60 60 MET N N 60 117.618 117.618 114.496 3.122 19789 167 1 1 . 1 1 60 60 MET HA H 60 3.921 3.921 4.213 -0.292 19789 168 1 1 . 1 1 60 60 MET H H 60 7.702 7.702 8.050 -0.348 19789 169 1 1 . 1 1 61 61 ILE N N 61 118.070 118.070 117.307 0.763 19789 170 1 1 . 1 1 61 61 ILE HA H 61 3.347 3.347 3.869 -0.522 19789 171 1 1 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.496 2.361 19789 172 1 1 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.807 -2.393 19789 173 1 1 . 1 1 61 61 ILE H H 61 7.358 7.358 7.534 -0.176 19789 174 1 1 . 1 1 62 62 ASP N N 62 119.384 119.384 121.356 -1.972 19789 175 1 1 . 1 1 62 62 ASP H H 62 8.683 8.683 8.753 -0.070 19789 176 1 1 . 1 1 63 63 GLU N N 63 115.866 115.866 118.795 -2.929 19789 177 1 1 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.137 -0.107 19789 178 1 1 . 1 1 63 63 GLU H H 63 7.612 7.612 7.895 -0.283 19789 179 1 1 . 1 1 64 64 VAL N N 64 107.501 107.501 117.641 -10.140 19789 180 1 1 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.203 0.342 19789 181 1 1 . 1 1 64 64 VAL CA C 64 61.051 61.051 61.219 -0.168 19789 182 1 1 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.779 -0.397 19789 183 1 1 . 1 1 64 64 VAL H H 64 7.239 7.239 7.229 0.010 19789 184 1 1 . 1 1 65 65 ASP N N 65 121.745 121.745 122.909 -1.164 19789 185 1 1 . 1 1 65 65 ASP H H 65 7.584 7.584 7.635 -0.051 19789 186 1 1 . 1 1 66 66 GLU N N 66 128.227 128.227 122.787 5.440 19789 187 1 1 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.349 -0.163 19789 188 1 1 . 1 1 66 66 GLU H H 66 8.633 8.633 8.432 0.201 19789 189 1 1 . 1 1 67 67 ASP N N 67 114.509 114.509 117.724 -3.215 19789 190 1 1 . 1 1 67 67 ASP H H 67 7.967 7.967 8.439 -0.472 19789 191 1 1 . 1 1 68 68 GLY N N 68 108.897 108.897 109.268 -0.371 19789 192 1 1 . 1 1 68 68 GLY H H 68 7.765 7.765 8.903 -1.138 19789 193 1 1 . 1 1 69 69 SER N N 69 116.480 116.480 116.377 0.103 19789 194 1 1 . 1 1 69 69 SER H H 69 8.452 8.452 9.074 -0.622 19789 195 1 1 . 1 1 70 70 GLY N N 70 116.525 116.525 109.243 7.282 19789 196 1 1 . 1 1 70 70 GLY H H 70 10.847 10.847 8.292 2.555 19789 197 1 1 . 1 1 71 71 THR N N 71 107.688 107.688 115.297 -7.609 19789 198 1 1 . 1 1 71 71 THR HA H 71 4.914 4.914 4.667 0.247 19789 199 1 1 . 1 1 71 71 THR CA C 71 58.346 58.346 60.684 -2.338 19789 200 1 1 . 1 1 71 71 THR CB C 71 73.760 73.760 71.551 2.209 19789 201 1 1 . 1 1 71 71 THR H H 71 7.664 7.664 7.504 0.160 19789 202 1 1 . 1 1 72 72 VAL N N 72 126.813 126.813 122.552 4.261 19789 203 1 1 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.514 0.571 19789 204 1 1 . 1 1 72 72 VAL CB C 72 33.580 33.580 33.733 -0.153 19789 205 1 1 . 1 1 72 72 VAL H H 72 9.792 9.792 7.797 1.995 19789 206 1 1 . 1 1 73 73 ASP N N 73 128.665 128.665 120.670 7.995 19789 207 1 1 . 1 1 73 73 ASP H H 73 8.746 8.746 8.062 0.684 19789 208 1 1 . 1 1 74 74 PHE N N 74 118.267 118.267 117.885 0.382 19789 209 1 1 . 1 1 74 74 PHE H H 74 8.577 8.577 9.095 -0.518 19789 210 1 1 . 1 1 75 75 ASP N N 75 117.261 117.261 118.791 -1.530 19789 211 1 1 . 1 1 75 75 ASP H H 75 7.654 7.654 7.563 0.091 19789 212 1 1 . 1 1 76 76 GLU N N 76 120.396 120.396 121.221 -0.825 19789 213 1 1 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.088 -0.061 19789 214 1 1 . 1 1 76 76 GLU H H 76 8.169 8.169 7.688 0.481 19789 215 1 1 . 1 1 77 77 PHE N N 77 122.823 122.823 120.859 1.964 19789 216 1 1 . 1 1 77 77 PHE H H 77 8.984 8.984 8.812 0.172 19789 217 1 1 . 1 1 78 78 LEU N N 78 118.595 118.595 119.689 -1.094 19789 218 1 1 . 1 1 78 78 LEU HA H 78 3.287 3.287 4.282 -0.995 19789 219 1 1 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.458 -0.343 19789 220 1 1 . 1 1 78 78 LEU CB C 78 41.353 41.353 42.109 -0.756 19789 221 1 1 . 1 1 78 78 LEU H H 78 7.950 7.950 7.846 0.104 19789 222 1 1 . 1 1 79 79 VAL N N 79 118.101 118.101 118.041 0.060 19789 223 1 1 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.665 -0.417 19789 224 1 1 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.599 0.301 19789 225 1 1 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.770 -0.871 19789 226 1 1 . 1 1 79 79 VAL H H 79 6.947 6.947 7.688 -0.741 19789 227 1 1 . 1 1 80 80 MET N N 80 119.853 119.853 117.530 2.323 19789 228 1 1 . 1 1 80 80 MET H H 80 7.952 7.952 8.127 -0.175 19789 229 1 1 . 1 1 81 81 MET N N 81 117.448 117.448 116.402 1.046 19789 230 1 1 . 1 1 81 81 MET H H 81 8.110 8.110 7.804 0.306 19789 231 1 1 . 1 1 82 82 VAL N N 82 117.627 117.627 121.605 -3.978 19789 232 1 1 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.760 0.202 19789 233 1 1 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.239 -0.172 19789 234 1 1 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.989 -0.847 19789 235 1 1 . 1 1 82 82 VAL H H 82 8.183 8.183 7.661 0.522 19789 236 1 1 . 1 1 83 83 ARG N N 83 120.495 120.495 120.028 0.467 19789 237 1 1 . 1 1 83 83 ARG H H 83 8.169 8.169 8.093 0.076 19789 238 1 1 . 1 1 84 84 CYS N N 84 113.519 113.519 116.471 -2.952 19789 239 1 1 . 1 1 84 84 CYS H H 84 7.507 7.507 7.591 -0.084 19789 240 1 1 . 1 1 85 85 MET N N 85 120.618 120.618 121.185 -0.567 19789 241 1 1 . 1 1 85 85 MET H H 85 7.661 7.661 7.586 0.075 19789 242 1 1 . 1 1 86 86 LYS N N 86 120.147 120.147 118.116 2.031 19789 243 1 1 . 1 1 86 86 LYS H H 86 7.779 7.779 8.140 -0.361 19789 244 1 2 . 1 1 3 3 ASP N N 3 122.928 122.928 119.540 3.388 19789 245 1 2 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.418 0.048 19789 246 1 2 . 1 1 3 3 ASP H H 3 8.538 8.538 8.398 0.140 19789 247 1 2 . 1 1 4 4 ILE N N 4 119.305 119.305 120.349 -1.044 19789 248 1 2 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.808 0.103 19789 249 1 2 . 1 1 4 4 ILE CA C 4 63.825 63.825 63.025 0.800 19789 250 1 2 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.937 -0.296 19789 251 1 2 . 1 1 4 4 ILE H H 4 8.236 8.236 8.364 -0.128 19789 252 1 2 . 1 1 5 5 TYR N N 5 120.903 120.903 117.236 3.667 19789 253 1 2 . 1 1 5 5 TYR H H 5 7.618 7.618 6.945 0.673 19789 254 1 2 . 1 1 6 6 LYS N N 6 120.946 120.946 121.388 -0.442 19789 255 1 2 . 1 1 6 6 LYS H H 6 7.894 7.894 7.708 0.186 19789 256 1 2 . 1 1 7 7 ALA N N 7 120.284 120.284 120.180 0.104 19789 257 1 2 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.264 -0.261 19789 258 1 2 . 1 1 7 7 ALA H H 7 7.934 7.934 7.333 0.601 19789 259 1 2 . 1 1 8 8 ALA N N 8 119.988 119.988 121.828 -1.840 19789 260 1 2 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.322 0.078 19789 261 1 2 . 1 1 8 8 ALA H H 8 7.501 7.501 7.577 -0.076 19789 262 1 2 . 1 1 9 9 VAL N N 9 119.175 119.175 118.373 0.802 19789 263 1 2 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.612 -0.052 19789 264 1 2 . 1 1 9 9 VAL CA C 9 66.376 66.376 66.075 0.301 19789 265 1 2 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.738 0.018 19789 266 1 2 . 1 1 9 9 VAL H H 9 8.077 8.077 7.892 0.185 19789 267 1 2 . 1 1 10 10 GLU N N 10 118.387 118.387 117.461 0.926 19789 268 1 2 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.036 0.081 19789 269 1 2 . 1 1 10 10 GLU H H 10 7.802 7.802 7.564 0.238 19789 270 1 2 . 1 1 11 11 GLN N N 11 114.922 114.922 118.350 -3.428 19789 271 1 2 . 1 1 11 11 GLN H H 11 7.377 7.377 7.436 -0.059 19789 272 1 2 . 1 1 12 12 LEU N N 12 120.676 120.676 120.440 0.236 19789 273 1 2 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.567 -0.048 19789 274 1 2 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.998 1.204 19789 275 1 2 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.297 -1.202 19789 276 1 2 . 1 1 12 12 LEU H H 12 7.388 7.388 7.290 0.098 19789 277 1 2 . 1 1 13 13 THR N N 13 113.723 113.723 112.608 1.115 19789 278 1 2 . 1 1 13 13 THR HA H 13 4.438 4.438 4.558 -0.120 19789 279 1 2 . 1 1 13 13 THR CA C 13 60.944 60.944 60.422 0.522 19789 280 1 2 . 1 1 13 13 THR H H 13 8.875 8.875 8.236 0.639 19789 281 1 2 . 1 1 14 14 GLU N N 14 121.739 121.739 121.296 0.443 19789 282 1 2 . 1 1 14 14 GLU H H 14 9.003 9.003 9.083 -0.080 19789 283 1 2 . 1 1 15 15 GLU N N 15 117.808 117.808 118.600 -0.792 19789 284 1 2 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.096 -0.018 19789 285 1 2 . 1 1 15 15 GLU H H 15 8.538 8.538 7.721 0.817 19789 286 1 2 . 1 1 16 16 GLN N N 16 119.080 119.080 117.712 1.368 19789 287 1 2 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.362 -0.455 19789 288 1 2 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.403 1.619 19789 289 1 2 . 1 1 16 16 GLN H H 16 7.875 7.875 7.998 -0.123 19789 290 1 2 . 1 1 17 17 LYS N N 17 118.934 118.934 121.554 -2.620 19789 291 1 2 . 1 1 17 17 LYS H H 17 8.650 8.650 8.110 0.540 19789 292 1 2 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.464 0.093 19789 293 1 2 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.185 -0.144 19789 294 1 2 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.541 -0.693 19789 295 1 2 . 1 1 19 19 GLU N N 19 123.449 123.449 118.326 5.123 19789 296 1 2 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.173 0.009 19789 297 1 2 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.587 1.570 19789 298 1 2 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.046 -0.661 19789 299 1 2 . 1 1 19 19 GLU H H 19 8.131 8.131 8.360 -0.229 19789 300 1 2 . 1 1 20 20 PHE N N 20 117.873 117.873 121.324 -3.451 19789 301 1 2 . 1 1 20 20 PHE H H 20 8.645 8.645 8.134 0.511 19789 302 1 2 . 1 1 21 21 LYS N N 21 122.555 122.555 117.551 5.004 19789 303 1 2 . 1 1 21 21 LYS H H 21 8.781 8.781 8.615 0.166 19789 304 1 2 . 1 1 22 22 ALA N N 22 121.657 121.657 121.976 -0.319 19789 305 1 2 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.096 -0.412 19789 306 1 2 . 1 1 22 22 ALA H H 22 7.844 7.844 7.476 0.368 19789 307 1 2 . 1 1 23 23 ALA N N 23 119.044 119.044 122.063 -3.019 19789 308 1 2 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.347 0.092 19789 309 1 2 . 1 1 23 23 ALA H H 23 8.141 8.141 7.549 0.592 19789 310 1 2 . 1 1 24 24 PHE N N 24 121.051 121.051 117.910 3.141 19789 311 1 2 . 1 1 24 24 PHE H H 24 8.942 8.942 7.791 1.151 19789 312 1 2 . 1 1 25 25 ASP N N 25 116.425 116.425 118.130 -1.705 19789 313 1 2 . 1 1 25 25 ASP H H 25 8.546 8.546 7.230 1.316 19789 314 1 2 . 1 1 26 26 ILE N N 26 119.584 119.584 120.057 -0.473 19789 315 1 2 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.770 -0.037 19789 316 1 2 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.048 -0.187 19789 317 1 2 . 1 1 26 26 ILE H H 26 7.314 7.314 7.037 0.277 19789 318 1 2 . 1 1 27 27 PHE N N 27 120.837 120.837 118.919 1.918 19789 319 1 2 . 1 1 27 27 PHE H H 27 8.103 8.103 8.411 -0.308 19789 320 1 2 . 1 1 28 28 VAL N N 28 107.855 107.855 116.058 -8.203 19789 321 1 2 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.642 -0.643 19789 322 1 2 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.360 1.394 19789 323 1 2 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.891 -1.382 19789 324 1 2 . 1 1 28 28 VAL H H 28 7.555 7.555 7.037 0.518 19789 325 1 2 . 1 1 29 29 LEU N N 29 125.187 125.187 124.953 0.234 19789 326 1 2 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.446 0.957 19789 327 1 2 . 1 1 29 29 LEU H H 29 7.229 7.229 7.263 -0.034 19789 328 1 2 . 1 1 30 30 GLY N N 30 111.816 111.816 112.441 -0.625 19789 329 1 2 . 1 1 30 30 GLY H H 30 8.799 8.799 7.961 0.838 19789 330 1 2 . 1 1 31 31 ALA N N 31 124.151 124.151 122.295 1.856 19789 331 1 2 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.551 0.222 19789 332 1 2 . 1 1 31 31 ALA H H 31 7.946 7.946 7.639 0.307 19789 333 1 2 . 1 1 32 32 GLU N N 32 124.621 124.621 119.346 5.275 19789 334 1 2 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.222 -0.137 19789 335 1 2 . 1 1 32 32 GLU H H 32 9.102 9.102 8.640 0.462 19789 336 1 2 . 1 1 33 33 ASP N N 33 115.935 115.935 117.725 -1.790 19789 337 1 2 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.720 0.014 19789 338 1 2 . 1 1 33 33 ASP H H 33 8.199 8.199 8.436 -0.237 19789 339 1 2 . 1 1 34 34 GLY N N 34 105.713 105.713 108.706 -2.993 19789 340 1 2 . 1 1 34 34 GLY H H 34 7.653 7.653 8.236 -0.583 19789 341 1 2 . 1 1 35 35 CYS N N 35 113.447 113.447 117.125 -3.678 19789 342 1 2 . 1 1 35 35 CYS H H 35 7.621 7.621 7.852 -0.231 19789 343 1 2 . 1 1 36 36 ILE N N 36 119.384 119.384 119.878 -0.494 19789 344 1 2 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.458 -0.592 19789 345 1 2 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.544 -2.080 19789 346 1 2 . 1 1 36 36 ILE H H 36 8.793 8.793 8.065 0.728 19789 347 1 2 . 1 1 37 37 SER N N 37 125.951 125.951 118.833 7.118 19789 348 1 2 . 1 1 37 37 SER H H 37 9.421 9.421 8.638 0.783 19789 349 1 2 . 1 1 38 38 THR N N 38 112.286 112.286 117.392 -5.106 19789 350 1 2 . 1 1 38 38 THR HA H 38 3.726 3.726 3.770 -0.044 19789 351 1 2 . 1 1 38 38 THR CA C 38 66.708 66.708 65.868 0.840 19789 352 1 2 . 1 1 38 38 THR H H 38 8.816 8.816 8.155 0.661 19789 353 1 2 . 1 1 39 39 LYS N N 39 122.672 122.672 119.784 2.888 19789 354 1 2 . 1 1 39 39 LYS H H 39 8.016 8.016 8.573 -0.557 19789 355 1 2 . 1 1 40 40 GLU N N 40 119.098 119.098 116.372 2.726 19789 356 1 2 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.301 -0.117 19789 357 1 2 . 1 1 40 40 GLU H H 40 7.705 7.705 8.496 -0.791 19789 358 1 2 . 1 1 41 41 LEU N N 41 119.205 119.205 121.666 -2.461 19789 359 1 2 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.152 -0.042 19789 360 1 2 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.924 -0.236 19789 361 1 2 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.697 0.813 19789 362 1 2 . 1 1 41 41 LEU H H 41 8.356 8.356 7.855 0.501 19789 363 1 2 . 1 1 42 42 GLY N N 42 105.741 105.741 105.546 0.195 19789 364 1 2 . 1 1 42 42 GLY H H 42 8.422 8.422 8.549 -0.127 19789 365 1 2 . 1 1 43 43 LYS N N 43 120.666 120.666 121.237 -0.571 19789 366 1 2 . 1 1 43 43 LYS H H 43 7.265 7.265 7.944 -0.679 19789 367 1 2 . 1 1 44 44 VAL N N 44 119.328 119.328 117.536 1.792 19789 368 1 2 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.899 -0.443 19789 369 1 2 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.290 1.097 19789 370 1 2 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.356 0.280 19789 371 1 2 . 1 1 44 44 VAL H H 44 7.488 7.488 8.256 -0.768 19789 372 1 2 . 1 1 45 45 MET N N 45 116.122 116.122 120.264 -4.142 19789 373 1 2 . 1 1 45 45 MET HA H 45 4.171 4.171 4.019 0.152 19789 374 1 2 . 1 1 45 45 MET H H 45 8.357 8.357 7.529 0.828 19789 375 1 2 . 1 1 46 46 ARG N N 46 118.799 118.799 118.969 -0.170 19789 376 1 2 . 1 1 46 46 ARG H H 46 8.115 8.115 7.686 0.429 19789 377 1 2 . 1 1 47 47 MET N N 47 122.183 122.183 116.427 5.756 19789 378 1 2 . 1 1 47 47 MET HA H 47 4.233 4.233 4.297 -0.064 19789 379 1 2 . 1 1 47 47 MET H H 47 7.866 7.866 7.823 0.043 19789 380 1 2 . 1 1 48 48 LEU N N 48 117.213 117.213 118.723 -1.510 19789 381 1 2 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.238 0.119 19789 382 1 2 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.545 -0.867 19789 383 1 2 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.709 -1.082 19789 384 1 2 . 1 1 48 48 LEU H H 48 7.499 7.499 7.924 -0.425 19789 385 1 2 . 1 1 49 49 GLY N N 49 107.154 107.154 104.783 2.371 19789 386 1 2 . 1 1 49 49 GLY H H 49 7.841 7.841 7.891 -0.050 19789 387 1 2 . 1 1 50 50 GLN N N 50 118.411 118.411 117.695 0.716 19789 388 1 2 . 1 1 50 50 GLN H H 50 8.014 8.014 8.077 -0.063 19789 389 1 2 . 1 1 51 51 ASN N N 51 116.615 116.615 117.192 -0.577 19789 390 1 2 . 1 1 51 51 ASN H H 51 8.716 8.716 8.514 0.202 19789 391 1 2 . 1 1 53 53 THR N N 53 113.821 113.821 113.279 0.542 19789 392 1 2 . 1 1 53 53 THR H H 53 8.801 8.801 8.370 0.431 19789 393 1 2 . 1 1 55 55 GLU N N 55 117.313 117.313 118.868 -1.555 19789 394 1 2 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.245 -0.223 19789 395 1 2 . 1 1 55 55 GLU H H 55 8.751 8.751 8.548 0.203 19789 396 1 2 . 1 1 56 56 GLU N N 56 121.618 121.618 118.466 3.152 19789 397 1 2 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.342 -0.344 19789 398 1 2 . 1 1 56 56 GLU H H 56 7.803 7.803 7.536 0.267 19789 399 1 2 . 1 1 57 57 LEU N N 57 119.131 119.131 120.907 -1.776 19789 400 1 2 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.787 0.261 19789 401 1 2 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.844 -0.997 19789 402 1 2 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.805 0.838 19789 403 1 2 . 1 1 57 57 LEU H H 57 8.179 8.179 8.706 -0.527 19789 404 1 2 . 1 1 58 58 GLN N N 58 117.777 117.777 117.613 0.164 19789 405 1 2 . 1 1 58 58 GLN H H 58 7.945 7.945 8.321 -0.376 19789 406 1 2 . 1 1 59 59 GLU N N 59 119.087 119.087 120.241 -1.154 19789 407 1 2 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.937 0.110 19789 408 1 2 . 1 1 59 59 GLU H H 59 7.887 7.887 8.820 -0.933 19789 409 1 2 . 1 1 60 60 MET N N 60 117.618 117.618 114.097 3.521 19789 410 1 2 . 1 1 60 60 MET HA H 60 3.921 3.921 4.258 -0.337 19789 411 1 2 . 1 1 60 60 MET H H 60 7.702 7.702 8.435 -0.733 19789 412 1 2 . 1 1 61 61 ILE N N 61 118.070 118.070 114.356 3.714 19789 413 1 2 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.188 -0.841 19789 414 1 2 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.625 2.232 19789 415 1 2 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.545 -2.131 19789 416 1 2 . 1 1 61 61 ILE H H 61 7.358 7.358 7.749 -0.391 19789 417 1 2 . 1 1 62 62 ASP N N 62 119.384 119.384 121.860 -2.476 19789 418 1 2 . 1 1 62 62 ASP H H 62 8.683 8.683 8.940 -0.257 19789 419 1 2 . 1 1 63 63 GLU N N 63 115.866 115.866 118.271 -2.405 19789 420 1 2 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.191 -0.161 19789 421 1 2 . 1 1 63 63 GLU H H 63 7.612 7.612 7.962 -0.350 19789 422 1 2 . 1 1 64 64 VAL N N 64 107.501 107.501 109.067 -1.566 19789 423 1 2 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.394 0.151 19789 424 1 2 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.316 0.735 19789 425 1 2 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.034 0.348 19789 426 1 2 . 1 1 64 64 VAL H H 64 7.239 7.239 7.151 0.088 19789 427 1 2 . 1 1 65 65 ASP N N 65 121.745 121.745 122.262 -0.517 19789 428 1 2 . 1 1 65 65 ASP H H 65 7.584 7.584 7.828 -0.244 19789 429 1 2 . 1 1 66 66 GLU N N 66 128.227 128.227 122.718 5.509 19789 430 1 2 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.429 -0.243 19789 431 1 2 . 1 1 66 66 GLU H H 66 8.633 8.633 8.522 0.111 19789 432 1 2 . 1 1 67 67 ASP N N 67 114.509 114.509 117.348 -2.839 19789 433 1 2 . 1 1 67 67 ASP H H 67 7.967 7.967 8.199 -0.232 19789 434 1 2 . 1 1 68 68 GLY N N 68 108.897 108.897 109.731 -0.834 19789 435 1 2 . 1 1 68 68 GLY H H 68 7.765 7.765 8.147 -0.382 19789 436 1 2 . 1 1 69 69 SER N N 69 116.480 116.480 115.674 0.806 19789 437 1 2 . 1 1 69 69 SER H H 69 8.452 8.452 8.606 -0.154 19789 438 1 2 . 1 1 70 70 GLY N N 70 116.525 116.525 112.486 4.039 19789 439 1 2 . 1 1 70 70 GLY H H 70 10.847 10.847 8.273 2.574 19789 440 1 2 . 1 1 71 71 THR N N 71 107.688 107.688 114.374 -6.686 19789 441 1 2 . 1 1 71 71 THR HA H 71 4.914 4.914 5.240 -0.326 19789 442 1 2 . 1 1 71 71 THR CA C 71 58.346 58.346 59.856 -1.510 19789 443 1 2 . 1 1 71 71 THR CB C 71 73.760 73.760 71.464 2.296 19789 444 1 2 . 1 1 71 71 THR H H 71 7.664 7.664 7.500 0.164 19789 445 1 2 . 1 1 72 72 VAL N N 72 126.813 126.813 120.802 6.011 19789 446 1 2 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.752 0.333 19789 447 1 2 . 1 1 72 72 VAL CB C 72 33.580 33.580 33.286 0.294 19789 448 1 2 . 1 1 72 72 VAL H H 72 9.792 9.792 7.881 1.911 19789 449 1 2 . 1 1 73 73 ASP N N 73 128.665 128.665 121.087 7.578 19789 450 1 2 . 1 1 73 73 ASP H H 73 8.746 8.746 8.096 0.650 19789 451 1 2 . 1 1 74 74 PHE N N 74 118.267 118.267 118.371 -0.104 19789 452 1 2 . 1 1 74 74 PHE H H 74 8.577 8.577 9.079 -0.502 19789 453 1 2 . 1 1 75 75 ASP N N 75 117.261 117.261 118.836 -1.575 19789 454 1 2 . 1 1 75 75 ASP H H 75 7.654 7.654 7.522 0.132 19789 455 1 2 . 1 1 76 76 GLU N N 76 120.396 120.396 121.068 -0.672 19789 456 1 2 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.076 -0.049 19789 457 1 2 . 1 1 76 76 GLU H H 76 8.169 8.169 7.807 0.362 19789 458 1 2 . 1 1 77 77 PHE N N 77 122.823 122.823 120.624 2.199 19789 459 1 2 . 1 1 77 77 PHE H H 77 8.984 8.984 9.103 -0.119 19789 460 1 2 . 1 1 78 78 LEU N N 78 118.595 118.595 119.348 -0.753 19789 461 1 2 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.605 -0.318 19789 462 1 2 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.075 0.040 19789 463 1 2 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.263 0.090 19789 464 1 2 . 1 1 78 78 LEU H H 78 7.950 7.950 7.724 0.226 19789 465 1 2 . 1 1 79 79 VAL N N 79 118.101 118.101 118.221 -0.120 19789 466 1 2 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.596 -0.348 19789 467 1 2 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.955 -0.055 19789 468 1 2 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.312 -0.413 19789 469 1 2 . 1 1 79 79 VAL H H 79 6.947 6.947 7.538 -0.591 19789 470 1 2 . 1 1 80 80 MET N N 80 119.853 119.853 116.867 2.986 19789 471 1 2 . 1 1 80 80 MET H H 80 7.952 7.952 8.144 -0.192 19789 472 1 2 . 1 1 81 81 MET N N 81 117.448 117.448 115.933 1.515 19789 473 1 2 . 1 1 81 81 MET H H 81 8.110 8.110 7.970 0.140 19789 474 1 2 . 1 1 82 82 VAL N N 82 117.627 117.627 119.525 -1.898 19789 475 1 2 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.602 0.360 19789 476 1 2 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.277 -0.210 19789 477 1 2 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.401 -0.259 19789 478 1 2 . 1 1 82 82 VAL H H 82 8.183 8.183 7.566 0.617 19789 479 1 2 . 1 1 83 83 ARG N N 83 120.495 120.495 118.420 2.075 19789 480 1 2 . 1 1 83 83 ARG H H 83 8.169 8.169 8.285 -0.116 19789 481 1 2 . 1 1 84 84 CYS N N 84 113.519 113.519 113.479 0.040 19789 482 1 2 . 1 1 84 84 CYS H H 84 7.507 7.507 7.677 -0.170 19789 483 1 2 . 1 1 85 85 MET N N 85 120.618 120.618 122.217 -1.599 19789 484 1 2 . 1 1 85 85 MET H H 85 7.661 7.661 7.621 0.040 19789 485 1 2 . 1 1 86 86 LYS N N 86 120.147 120.147 118.041 2.106 19789 486 1 2 . 1 1 86 86 LYS H H 86 7.779 7.779 7.829 -0.050 19789 487 1 3 . 1 1 3 3 ASP N N 3 122.928 122.928 121.644 1.284 19789 488 1 3 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.997 -0.531 19789 489 1 3 . 1 1 3 3 ASP H H 3 8.538 8.538 8.579 -0.041 19789 490 1 3 . 1 1 4 4 ILE N N 4 119.305 119.305 120.704 -1.399 19789 491 1 3 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.767 0.144 19789 492 1 3 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.622 1.203 19789 493 1 3 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.788 -0.148 19789 494 1 3 . 1 1 4 4 ILE H H 4 8.236 8.236 8.266 -0.030 19789 495 1 3 . 1 1 5 5 TYR N N 5 120.903 120.903 118.077 2.826 19789 496 1 3 . 1 1 5 5 TYR H H 5 7.618 7.618 7.473 0.145 19789 497 1 3 . 1 1 6 6 LYS N N 6 120.946 120.946 120.173 0.773 19789 498 1 3 . 1 1 6 6 LYS H H 6 7.894 7.894 8.616 -0.722 19789 499 1 3 . 1 1 7 7 ALA N N 7 120.284 120.284 120.723 -0.439 19789 500 1 3 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.370 -0.367 19789 501 1 3 . 1 1 7 7 ALA H H 7 7.934 7.934 7.502 0.432 19789 502 1 3 . 1 1 8 8 ALA N N 8 119.988 119.988 121.585 -1.597 19789 503 1 3 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.271 0.129 19789 504 1 3 . 1 1 8 8 ALA H H 8 7.501 7.501 7.596 -0.095 19789 505 1 3 . 1 1 9 9 VAL N N 9 119.175 119.175 118.540 0.635 19789 506 1 3 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.563 -0.003 19789 507 1 3 . 1 1 9 9 VAL CA C 9 66.376 66.376 66.391 -0.015 19789 508 1 3 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.270 0.485 19789 509 1 3 . 1 1 9 9 VAL H H 9 8.077 8.077 7.908 0.169 19789 510 1 3 . 1 1 10 10 GLU N N 10 118.387 118.387 117.854 0.533 19789 511 1 3 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.047 0.070 19789 512 1 3 . 1 1 10 10 GLU H H 10 7.802 7.802 7.590 0.212 19789 513 1 3 . 1 1 11 11 GLN N N 11 114.922 114.922 117.829 -2.907 19789 514 1 3 . 1 1 11 11 GLN H H 11 7.377 7.377 7.533 -0.156 19789 515 1 3 . 1 1 12 12 LEU N N 12 120.676 120.676 118.364 2.312 19789 516 1 3 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.728 -0.209 19789 517 1 3 . 1 1 12 12 LEU CA C 12 55.203 55.203 54.147 1.056 19789 518 1 3 . 1 1 12 12 LEU CB C 12 43.094 43.094 43.405 -0.311 19789 519 1 3 . 1 1 12 12 LEU H H 12 7.388 7.388 7.220 0.168 19789 520 1 3 . 1 1 13 13 THR N N 13 113.723 113.723 115.021 -1.298 19789 521 1 3 . 1 1 13 13 THR HA H 13 4.438 4.438 4.630 -0.192 19789 522 1 3 . 1 1 13 13 THR CA C 13 60.944 60.944 60.115 0.829 19789 523 1 3 . 1 1 13 13 THR H H 13 8.875 8.875 8.163 0.712 19789 524 1 3 . 1 1 14 14 GLU N N 14 121.739 121.739 120.969 0.770 19789 525 1 3 . 1 1 14 14 GLU H H 14 9.003 9.003 8.941 0.062 19789 526 1 3 . 1 1 15 15 GLU N N 15 117.808 117.808 118.743 -0.935 19789 527 1 3 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.095 -0.017 19789 528 1 3 . 1 1 15 15 GLU H H 15 8.538 8.538 7.737 0.801 19789 529 1 3 . 1 1 16 16 GLN N N 16 119.080 119.080 117.555 1.525 19789 530 1 3 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.354 -0.447 19789 531 1 3 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.271 1.751 19789 532 1 3 . 1 1 16 16 GLN H H 16 7.875 7.875 7.852 0.023 19789 533 1 3 . 1 1 17 17 LYS N N 17 118.934 118.934 121.572 -2.638 19789 534 1 3 . 1 1 17 17 LYS H H 17 8.650 8.650 8.101 0.549 19789 535 1 3 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.483 0.074 19789 536 1 3 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.033 0.008 19789 537 1 3 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.481 -0.633 19789 538 1 3 . 1 1 19 19 GLU N N 19 123.449 123.449 118.648 4.801 19789 539 1 3 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.175 0.007 19789 540 1 3 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.715 1.442 19789 541 1 3 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.011 -0.625 19789 542 1 3 . 1 1 19 19 GLU H H 19 8.131 8.131 8.374 -0.243 19789 543 1 3 . 1 1 20 20 PHE N N 20 117.873 117.873 120.984 -3.111 19789 544 1 3 . 1 1 20 20 PHE H H 20 8.645 8.645 8.212 0.433 19789 545 1 3 . 1 1 21 21 LYS N N 21 122.555 122.555 119.010 3.545 19789 546 1 3 . 1 1 21 21 LYS H H 21 8.781 8.781 8.728 0.053 19789 547 1 3 . 1 1 22 22 ALA N N 22 121.657 121.657 121.177 0.480 19789 548 1 3 . 1 1 22 22 ALA CB C 22 17.683 17.683 17.979 -0.296 19789 549 1 3 . 1 1 22 22 ALA H H 22 7.844 7.844 7.457 0.387 19789 550 1 3 . 1 1 23 23 ALA N N 23 119.044 119.044 121.972 -2.928 19789 551 1 3 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.573 -0.135 19789 552 1 3 . 1 1 23 23 ALA H H 23 8.141 8.141 7.607 0.534 19789 553 1 3 . 1 1 24 24 PHE N N 24 121.051 121.051 116.822 4.229 19789 554 1 3 . 1 1 24 24 PHE H H 24 8.942 8.942 7.977 0.965 19789 555 1 3 . 1 1 25 25 ASP N N 25 116.425 116.425 118.468 -2.043 19789 556 1 3 . 1 1 25 25 ASP H H 25 8.546 8.546 7.454 1.092 19789 557 1 3 . 1 1 26 26 ILE N N 26 119.584 119.584 120.095 -0.511 19789 558 1 3 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.863 -0.130 19789 559 1 3 . 1 1 26 26 ILE CB C 26 37.861 37.861 37.971 -0.110 19789 560 1 3 . 1 1 26 26 ILE H H 26 7.314 7.314 7.108 0.206 19789 561 1 3 . 1 1 27 27 PHE N N 27 120.837 120.837 118.578 2.259 19789 562 1 3 . 1 1 27 27 PHE H H 27 8.103 8.103 8.374 -0.271 19789 563 1 3 . 1 1 28 28 VAL N N 28 107.855 107.855 115.593 -7.738 19789 564 1 3 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.542 -0.543 19789 565 1 3 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.136 1.618 19789 566 1 3 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.190 -0.681 19789 567 1 3 . 1 1 28 28 VAL H H 28 7.555 7.555 7.047 0.508 19789 568 1 3 . 1 1 29 29 LEU N N 29 125.187 125.187 125.159 0.028 19789 569 1 3 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.205 1.198 19789 570 1 3 . 1 1 29 29 LEU H H 29 7.229 7.229 7.314 -0.085 19789 571 1 3 . 1 1 30 30 GLY N N 30 111.816 111.816 112.557 -0.741 19789 572 1 3 . 1 1 30 30 GLY H H 30 8.799 8.799 8.004 0.795 19789 573 1 3 . 1 1 31 31 ALA N N 31 124.151 124.151 121.434 2.717 19789 574 1 3 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.962 -0.189 19789 575 1 3 . 1 1 31 31 ALA H H 31 7.946 7.946 7.721 0.225 19789 576 1 3 . 1 1 32 32 GLU N N 32 124.621 124.621 120.045 4.576 19789 577 1 3 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.266 -0.181 19789 578 1 3 . 1 1 32 32 GLU H H 32 9.102 9.102 8.827 0.275 19789 579 1 3 . 1 1 33 33 ASP N N 33 115.935 115.935 117.968 -2.033 19789 580 1 3 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.752 -0.018 19789 581 1 3 . 1 1 33 33 ASP H H 33 8.199 8.199 8.316 -0.117 19789 582 1 3 . 1 1 34 34 GLY N N 34 105.713 105.713 110.186 -4.473 19789 583 1 3 . 1 1 34 34 GLY H H 34 7.653 7.653 8.316 -0.663 19789 584 1 3 . 1 1 35 35 CYS N N 35 113.447 113.447 115.979 -2.532 19789 585 1 3 . 1 1 35 35 CYS H H 35 7.621 7.621 7.683 -0.062 19789 586 1 3 . 1 1 36 36 ILE N N 36 119.384 119.384 118.033 1.351 19789 587 1 3 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.228 -0.362 19789 588 1 3 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.704 -2.240 19789 589 1 3 . 1 1 36 36 ILE H H 36 8.793 8.793 7.782 1.011 19789 590 1 3 . 1 1 37 37 SER N N 37 125.951 125.951 119.636 6.315 19789 591 1 3 . 1 1 37 37 SER H H 37 9.421 9.421 8.521 0.900 19789 592 1 3 . 1 1 38 38 THR N N 38 112.286 112.286 118.059 -5.773 19789 593 1 3 . 1 1 38 38 THR HA H 38 3.726 3.726 3.771 -0.045 19789 594 1 3 . 1 1 38 38 THR CA C 38 66.708 66.708 65.424 1.284 19789 595 1 3 . 1 1 38 38 THR H H 38 8.816 8.816 8.193 0.623 19789 596 1 3 . 1 1 39 39 LYS N N 39 122.672 122.672 121.217 1.455 19789 597 1 3 . 1 1 39 39 LYS H H 39 8.016 8.016 8.441 -0.425 19789 598 1 3 . 1 1 40 40 GLU N N 40 119.098 119.098 116.757 2.341 19789 599 1 3 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.269 -0.085 19789 600 1 3 . 1 1 40 40 GLU H H 40 7.705 7.705 8.498 -0.793 19789 601 1 3 . 1 1 41 41 LEU N N 41 119.205 119.205 121.475 -2.270 19789 602 1 3 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.030 0.080 19789 603 1 3 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.463 0.225 19789 604 1 3 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.743 0.767 19789 605 1 3 . 1 1 41 41 LEU H H 41 8.356 8.356 7.693 0.663 19789 606 1 3 . 1 1 42 42 GLY N N 42 105.741 105.741 105.976 -0.235 19789 607 1 3 . 1 1 42 42 GLY H H 42 8.422 8.422 8.569 -0.147 19789 608 1 3 . 1 1 43 43 LYS N N 43 120.666 120.666 121.385 -0.719 19789 609 1 3 . 1 1 43 43 LYS H H 43 7.265 7.265 7.868 -0.603 19789 610 1 3 . 1 1 44 44 VAL N N 44 119.328 119.328 116.188 3.140 19789 611 1 3 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.946 -0.490 19789 612 1 3 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.404 0.983 19789 613 1 3 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.310 0.326 19789 614 1 3 . 1 1 44 44 VAL H H 44 7.488 7.488 8.165 -0.677 19789 615 1 3 . 1 1 45 45 MET N N 45 116.122 116.122 120.332 -4.210 19789 616 1 3 . 1 1 45 45 MET HA H 45 4.171 4.171 4.005 0.166 19789 617 1 3 . 1 1 45 45 MET H H 45 8.357 8.357 7.488 0.869 19789 618 1 3 . 1 1 46 46 ARG N N 46 118.799 118.799 117.282 1.517 19789 619 1 3 . 1 1 46 46 ARG H H 46 8.115 8.115 7.736 0.379 19789 620 1 3 . 1 1 47 47 MET N N 47 122.183 122.183 116.719 5.464 19789 621 1 3 . 1 1 47 47 MET HA H 47 4.233 4.233 4.270 -0.037 19789 622 1 3 . 1 1 47 47 MET H H 47 7.866 7.866 7.832 0.034 19789 623 1 3 . 1 1 48 48 LEU N N 48 117.213 117.213 118.777 -1.564 19789 624 1 3 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.215 0.142 19789 625 1 3 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.480 -0.802 19789 626 1 3 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.755 -1.128 19789 627 1 3 . 1 1 48 48 LEU H H 48 7.499 7.499 7.759 -0.260 19789 628 1 3 . 1 1 49 49 GLY N N 49 107.154 107.154 105.840 1.314 19789 629 1 3 . 1 1 49 49 GLY H H 49 7.841 7.841 7.832 0.009 19789 630 1 3 . 1 1 50 50 GLN N N 50 118.411 118.411 119.499 -1.088 19789 631 1 3 . 1 1 50 50 GLN H H 50 8.014 8.014 8.071 -0.057 19789 632 1 3 . 1 1 51 51 ASN N N 51 116.615 116.615 115.126 1.489 19789 633 1 3 . 1 1 51 51 ASN H H 51 8.716 8.716 8.576 0.140 19789 634 1 3 . 1 1 53 53 THR N N 53 113.821 113.821 113.701 0.120 19789 635 1 3 . 1 1 53 53 THR H H 53 8.801 8.801 8.415 0.386 19789 636 1 3 . 1 1 55 55 GLU N N 55 117.313 117.313 118.887 -1.574 19789 637 1 3 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.202 -0.180 19789 638 1 3 . 1 1 55 55 GLU H H 55 8.751 8.751 8.335 0.416 19789 639 1 3 . 1 1 56 56 GLU N N 56 121.618 121.618 119.712 1.906 19789 640 1 3 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.245 -0.247 19789 641 1 3 . 1 1 56 56 GLU H H 56 7.803 7.803 7.689 0.114 19789 642 1 3 . 1 1 57 57 LEU N N 57 119.131 119.131 121.285 -2.154 19789 643 1 3 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.826 0.222 19789 644 1 3 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.104 -0.257 19789 645 1 3 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.830 0.813 19789 646 1 3 . 1 1 57 57 LEU H H 57 8.179 8.179 8.568 -0.389 19789 647 1 3 . 1 1 58 58 GLN N N 58 117.777 117.777 118.332 -0.555 19789 648 1 3 . 1 1 58 58 GLN H H 58 7.945 7.945 8.338 -0.393 19789 649 1 3 . 1 1 59 59 GLU N N 59 119.087 119.087 119.729 -0.642 19789 650 1 3 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.958 0.089 19789 651 1 3 . 1 1 59 59 GLU H H 59 7.887 7.887 8.793 -0.906 19789 652 1 3 . 1 1 60 60 MET N N 60 117.618 117.618 114.298 3.320 19789 653 1 3 . 1 1 60 60 MET HA H 60 3.921 3.921 4.281 -0.360 19789 654 1 3 . 1 1 60 60 MET H H 60 7.702 7.702 8.350 -0.648 19789 655 1 3 . 1 1 61 61 ILE N N 61 118.070 118.070 116.795 1.275 19789 656 1 3 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.020 -0.673 19789 657 1 3 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.950 1.907 19789 658 1 3 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.198 -1.784 19789 659 1 3 . 1 1 61 61 ILE H H 61 7.358 7.358 7.812 -0.454 19789 660 1 3 . 1 1 62 62 ASP N N 62 119.384 119.384 120.683 -1.299 19789 661 1 3 . 1 1 62 62 ASP H H 62 8.683 8.683 8.792 -0.109 19789 662 1 3 . 1 1 63 63 GLU N N 63 115.866 115.866 119.338 -3.472 19789 663 1 3 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.115 -0.085 19789 664 1 3 . 1 1 63 63 GLU H H 63 7.612 7.612 7.936 -0.324 19789 665 1 3 . 1 1 64 64 VAL N N 64 107.501 107.501 109.912 -2.411 19789 666 1 3 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.408 0.137 19789 667 1 3 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.453 0.598 19789 668 1 3 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.371 0.011 19789 669 1 3 . 1 1 64 64 VAL H H 64 7.239 7.239 7.404 -0.165 19789 670 1 3 . 1 1 65 65 ASP N N 65 121.745 121.745 122.826 -1.081 19789 671 1 3 . 1 1 65 65 ASP H H 65 7.584 7.584 7.840 -0.256 19789 672 1 3 . 1 1 66 66 GLU N N 66 128.227 128.227 122.834 5.393 19789 673 1 3 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.391 -0.204 19789 674 1 3 . 1 1 66 66 GLU H H 66 8.633 8.633 8.520 0.113 19789 675 1 3 . 1 1 67 67 ASP N N 67 114.509 114.509 117.747 -3.238 19789 676 1 3 . 1 1 67 67 ASP H H 67 7.967 7.967 8.382 -0.415 19789 677 1 3 . 1 1 68 68 GLY N N 68 108.897 108.897 109.530 -0.633 19789 678 1 3 . 1 1 68 68 GLY H H 68 7.765 7.765 8.984 -1.219 19789 679 1 3 . 1 1 69 69 SER N N 69 116.480 116.480 115.875 0.605 19789 680 1 3 . 1 1 69 69 SER H H 69 8.452 8.452 9.079 -0.627 19789 681 1 3 . 1 1 70 70 GLY N N 70 116.525 116.525 109.833 6.692 19789 682 1 3 . 1 1 70 70 GLY H H 70 10.847 10.847 8.345 2.502 19789 683 1 3 . 1 1 71 71 THR N N 71 107.688 107.688 114.730 -7.042 19789 684 1 3 . 1 1 71 71 THR HA H 71 4.914 4.914 4.727 0.187 19789 685 1 3 . 1 1 71 71 THR CA C 71 58.346 58.346 60.225 -1.879 19789 686 1 3 . 1 1 71 71 THR CB C 71 73.760 73.760 71.877 1.883 19789 687 1 3 . 1 1 71 71 THR H H 71 7.664 7.664 7.371 0.293 19789 688 1 3 . 1 1 72 72 VAL N N 72 126.813 126.813 117.633 9.180 19789 689 1 3 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.764 0.321 19789 690 1 3 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.197 -0.617 19789 691 1 3 . 1 1 72 72 VAL H H 72 9.792 9.792 7.762 2.030 19789 692 1 3 . 1 1 73 73 ASP N N 73 128.665 128.665 121.286 7.379 19789 693 1 3 . 1 1 73 73 ASP H H 73 8.746 8.746 8.013 0.733 19789 694 1 3 . 1 1 74 74 PHE N N 74 118.267 118.267 118.201 0.066 19789 695 1 3 . 1 1 74 74 PHE H H 74 8.577 8.577 9.401 -0.824 19789 696 1 3 . 1 1 75 75 ASP N N 75 117.261 117.261 118.377 -1.116 19789 697 1 3 . 1 1 75 75 ASP H H 75 7.654 7.654 7.781 -0.127 19789 698 1 3 . 1 1 76 76 GLU N N 76 120.396 120.396 121.396 -1.000 19789 699 1 3 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.165 -0.138 19789 700 1 3 . 1 1 76 76 GLU H H 76 8.169 8.169 7.921 0.248 19789 701 1 3 . 1 1 77 77 PHE N N 77 122.823 122.823 121.072 1.751 19789 702 1 3 . 1 1 77 77 PHE H H 77 8.984 8.984 8.947 0.037 19789 703 1 3 . 1 1 78 78 LEU N N 78 118.595 118.595 118.577 0.018 19789 704 1 3 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.789 -0.502 19789 705 1 3 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.796 0.319 19789 706 1 3 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.548 -0.195 19789 707 1 3 . 1 1 78 78 LEU H H 78 7.950 7.950 7.773 0.177 19789 708 1 3 . 1 1 79 79 VAL N N 79 118.101 118.101 118.607 -0.506 19789 709 1 3 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.591 -0.343 19789 710 1 3 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.171 0.729 19789 711 1 3 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.807 -0.908 19789 712 1 3 . 1 1 79 79 VAL H H 79 6.947 6.947 7.445 -0.498 19789 713 1 3 . 1 1 80 80 MET N N 80 119.853 119.853 116.598 3.255 19789 714 1 3 . 1 1 80 80 MET H H 80 7.952 7.952 7.483 0.469 19789 715 1 3 . 1 1 81 81 MET N N 81 117.448 117.448 117.118 0.330 19789 716 1 3 . 1 1 81 81 MET H H 81 8.110 8.110 8.032 0.078 19789 717 1 3 . 1 1 82 82 VAL N N 82 117.627 117.627 121.122 -3.495 19789 718 1 3 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.617 0.345 19789 719 1 3 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.215 -0.148 19789 720 1 3 . 1 1 82 82 VAL CB C 82 31.142 31.142 30.803 0.339 19789 721 1 3 . 1 1 82 82 VAL H H 82 8.183 8.183 7.520 0.663 19789 722 1 3 . 1 1 83 83 ARG N N 83 120.495 120.495 118.826 1.669 19789 723 1 3 . 1 1 83 83 ARG H H 83 8.169 8.169 8.346 -0.177 19789 724 1 3 . 1 1 84 84 CYS N N 84 113.519 113.519 116.828 -3.309 19789 725 1 3 . 1 1 84 84 CYS H H 84 7.507 7.507 7.670 -0.163 19789 726 1 3 . 1 1 85 85 MET N N 85 120.618 120.618 120.391 0.227 19789 727 1 3 . 1 1 85 85 MET H H 85 7.661 7.661 7.593 0.068 19789 728 1 3 . 1 1 86 86 LYS N N 86 120.147 120.147 118.207 1.940 19789 729 1 3 . 1 1 86 86 LYS H H 86 7.779 7.779 7.997 -0.218 19789 730 1 4 . 1 1 3 3 ASP N N 3 122.928 122.928 121.677 1.251 19789 731 1 4 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.267 0.199 19789 732 1 4 . 1 1 3 3 ASP H H 3 8.538 8.538 8.526 0.012 19789 733 1 4 . 1 1 4 4 ILE N N 4 119.305 119.305 120.265 -0.960 19789 734 1 4 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.808 0.103 19789 735 1 4 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.611 1.214 19789 736 1 4 . 1 1 4 4 ILE CB C 4 37.641 37.641 38.200 -0.559 19789 737 1 4 . 1 1 4 4 ILE H H 4 8.236 8.236 7.833 0.403 19789 738 1 4 . 1 1 5 5 TYR N N 5 120.903 120.903 116.995 3.908 19789 739 1 4 . 1 1 5 5 TYR H H 5 7.618 7.618 6.450 1.168 19789 740 1 4 . 1 1 6 6 LYS N N 6 120.946 120.946 121.311 -0.365 19789 741 1 4 . 1 1 6 6 LYS H H 6 7.894 7.894 8.374 -0.480 19789 742 1 4 . 1 1 7 7 ALA N N 7 120.284 120.284 120.703 -0.419 19789 743 1 4 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.348 -0.345 19789 744 1 4 . 1 1 7 7 ALA H H 7 7.934 7.934 7.408 0.526 19789 745 1 4 . 1 1 8 8 ALA N N 8 119.988 119.988 121.680 -1.692 19789 746 1 4 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.348 0.052 19789 747 1 4 . 1 1 8 8 ALA H H 8 7.501 7.501 7.624 -0.123 19789 748 1 4 . 1 1 9 9 VAL N N 9 119.175 119.175 118.338 0.837 19789 749 1 4 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.536 0.024 19789 750 1 4 . 1 1 9 9 VAL CA C 9 66.376 66.376 66.158 0.218 19789 751 1 4 . 1 1 9 9 VAL CB C 9 31.756 31.756 32.000 -0.243 19789 752 1 4 . 1 1 9 9 VAL H H 9 8.077 8.077 7.819 0.258 19789 753 1 4 . 1 1 10 10 GLU N N 10 118.387 118.387 117.567 0.820 19789 754 1 4 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.038 0.079 19789 755 1 4 . 1 1 10 10 GLU H H 10 7.802 7.802 7.598 0.204 19789 756 1 4 . 1 1 11 11 GLN N N 11 114.922 114.922 119.211 -4.289 19789 757 1 4 . 1 1 11 11 GLN H H 11 7.377 7.377 7.478 -0.101 19789 758 1 4 . 1 1 12 12 LEU N N 12 120.676 120.676 120.733 -0.057 19789 759 1 4 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.696 -0.177 19789 760 1 4 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.838 1.365 19789 761 1 4 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.758 -1.664 19789 762 1 4 . 1 1 12 12 LEU H H 12 7.388 7.388 7.253 0.135 19789 763 1 4 . 1 1 13 13 THR N N 13 113.723 113.723 114.023 -0.300 19789 764 1 4 . 1 1 13 13 THR HA H 13 4.438 4.438 4.601 -0.163 19789 765 1 4 . 1 1 13 13 THR CA C 13 60.944 60.944 59.970 0.974 19789 766 1 4 . 1 1 13 13 THR H H 13 8.875 8.875 8.317 0.558 19789 767 1 4 . 1 1 14 14 GLU N N 14 121.739 121.739 122.149 -0.410 19789 768 1 4 . 1 1 14 14 GLU H H 14 9.003 9.003 8.985 0.018 19789 769 1 4 . 1 1 15 15 GLU N N 15 117.808 117.808 119.112 -1.304 19789 770 1 4 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.138 -0.060 19789 771 1 4 . 1 1 15 15 GLU H H 15 8.538 8.538 7.767 0.771 19789 772 1 4 . 1 1 16 16 GLN N N 16 119.080 119.080 117.900 1.180 19789 773 1 4 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.289 -0.382 19789 774 1 4 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.995 1.027 19789 775 1 4 . 1 1 16 16 GLN H H 16 7.875 7.875 8.057 -0.182 19789 776 1 4 . 1 1 17 17 LYS N N 17 118.934 118.934 121.085 -2.151 19789 777 1 4 . 1 1 17 17 LYS H H 17 8.650 8.650 8.075 0.575 19789 778 1 4 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.492 0.065 19789 779 1 4 . 1 1 18 18 ASN CA C 18 56.041 56.041 55.992 0.049 19789 780 1 4 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.478 -0.630 19789 781 1 4 . 1 1 19 19 GLU N N 19 123.449 123.449 118.557 4.892 19789 782 1 4 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.190 -0.008 19789 783 1 4 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.694 1.463 19789 784 1 4 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.037 -0.652 19789 785 1 4 . 1 1 19 19 GLU H H 19 8.131 8.131 8.378 -0.247 19789 786 1 4 . 1 1 20 20 PHE N N 20 117.873 117.873 120.925 -3.052 19789 787 1 4 . 1 1 20 20 PHE H H 20 8.645 8.645 8.220 0.425 19789 788 1 4 . 1 1 21 21 LYS N N 21 122.555 122.555 118.733 3.822 19789 789 1 4 . 1 1 21 21 LYS H H 21 8.781 8.781 8.699 0.082 19789 790 1 4 . 1 1 22 22 ALA N N 22 121.657 121.657 121.636 0.021 19789 791 1 4 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.157 -0.474 19789 792 1 4 . 1 1 22 22 ALA H H 22 7.844 7.844 7.389 0.455 19789 793 1 4 . 1 1 23 23 ALA N N 23 119.044 119.044 122.018 -2.974 19789 794 1 4 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.419 0.020 19789 795 1 4 . 1 1 23 23 ALA H H 23 8.141 8.141 7.599 0.542 19789 796 1 4 . 1 1 24 24 PHE N N 24 121.051 121.051 116.517 4.534 19789 797 1 4 . 1 1 24 24 PHE H H 24 8.942 8.942 8.076 0.866 19789 798 1 4 . 1 1 25 25 ASP N N 25 116.425 116.425 118.107 -1.682 19789 799 1 4 . 1 1 25 25 ASP H H 25 8.546 8.546 7.624 0.922 19789 800 1 4 . 1 1 26 26 ILE N N 26 119.584 119.584 120.075 -0.491 19789 801 1 4 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.865 -0.132 19789 802 1 4 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.003 -0.142 19789 803 1 4 . 1 1 26 26 ILE H H 26 7.314 7.314 7.098 0.216 19789 804 1 4 . 1 1 27 27 PHE N N 27 120.837 120.837 118.377 2.460 19789 805 1 4 . 1 1 27 27 PHE H H 27 8.103 8.103 8.443 -0.340 19789 806 1 4 . 1 1 28 28 VAL N N 28 107.855 107.855 117.306 -9.451 19789 807 1 4 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.541 -0.542 19789 808 1 4 . 1 1 28 28 VAL CA C 28 61.754 61.754 59.676 2.078 19789 809 1 4 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.230 -0.721 19789 810 1 4 . 1 1 28 28 VAL H H 28 7.555 7.555 7.087 0.468 19789 811 1 4 . 1 1 29 29 LEU N N 29 125.187 125.187 124.931 0.256 19789 812 1 4 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.146 1.257 19789 813 1 4 . 1 1 29 29 LEU H H 29 7.229 7.229 7.300 -0.071 19789 814 1 4 . 1 1 30 30 GLY N N 30 111.816 111.816 110.425 1.391 19789 815 1 4 . 1 1 30 30 GLY H H 30 8.799 8.799 8.027 0.772 19789 816 1 4 . 1 1 31 31 ALA N N 31 124.151 124.151 121.531 2.620 19789 817 1 4 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.878 -0.105 19789 818 1 4 . 1 1 31 31 ALA H H 31 7.946 7.946 7.663 0.283 19789 819 1 4 . 1 1 32 32 GLU N N 32 124.621 124.621 120.453 4.168 19789 820 1 4 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.282 -0.197 19789 821 1 4 . 1 1 32 32 GLU H H 32 9.102 9.102 8.506 0.596 19789 822 1 4 . 1 1 33 33 ASP N N 33 115.935 115.935 117.701 -1.766 19789 823 1 4 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.737 -0.003 19789 824 1 4 . 1 1 33 33 ASP H H 33 8.199 8.199 8.376 -0.177 19789 825 1 4 . 1 1 34 34 GLY N N 34 105.713 105.713 108.719 -3.006 19789 826 1 4 . 1 1 34 34 GLY H H 34 7.653 7.653 8.285 -0.632 19789 827 1 4 . 1 1 35 35 CYS N N 35 113.447 113.447 117.226 -3.779 19789 828 1 4 . 1 1 35 35 CYS H H 35 7.621 7.621 7.682 -0.061 19789 829 1 4 . 1 1 36 36 ILE N N 36 119.384 119.384 118.747 0.637 19789 830 1 4 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.144 -0.278 19789 831 1 4 . 1 1 36 36 ILE CB C 36 39.464 39.464 40.926 -1.462 19789 832 1 4 . 1 1 36 36 ILE H H 36 8.793 8.793 7.928 0.865 19789 833 1 4 . 1 1 37 37 SER N N 37 125.951 125.951 118.098 7.853 19789 834 1 4 . 1 1 37 37 SER H H 37 9.421 9.421 8.635 0.786 19789 835 1 4 . 1 1 38 38 THR N N 38 112.286 112.286 114.357 -2.071 19789 836 1 4 . 1 1 38 38 THR HA H 38 3.726 3.726 3.718 0.008 19789 837 1 4 . 1 1 38 38 THR CA C 38 66.708 66.708 64.750 1.958 19789 838 1 4 . 1 1 38 38 THR H H 38 8.816 8.816 7.795 1.021 19789 839 1 4 . 1 1 39 39 LYS N N 39 122.672 122.672 122.304 0.368 19789 840 1 4 . 1 1 39 39 LYS H H 39 8.016 8.016 8.413 -0.397 19789 841 1 4 . 1 1 40 40 GLU N N 40 119.098 119.098 116.400 2.698 19789 842 1 4 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.250 -0.066 19789 843 1 4 . 1 1 40 40 GLU H H 40 7.705 7.705 8.509 -0.804 19789 844 1 4 . 1 1 41 41 LEU N N 41 119.205 119.205 121.457 -2.252 19789 845 1 4 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.051 0.059 19789 846 1 4 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.837 -0.149 19789 847 1 4 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.555 0.955 19789 848 1 4 . 1 1 41 41 LEU H H 41 8.356 8.356 7.660 0.696 19789 849 1 4 . 1 1 42 42 GLY N N 42 105.741 105.741 105.552 0.189 19789 850 1 4 . 1 1 42 42 GLY H H 42 8.422 8.422 8.524 -0.102 19789 851 1 4 . 1 1 43 43 LYS N N 43 120.666 120.666 121.152 -0.486 19789 852 1 4 . 1 1 43 43 LYS H H 43 7.265 7.265 7.831 -0.566 19789 853 1 4 . 1 1 44 44 VAL N N 44 119.328 119.328 116.445 2.883 19789 854 1 4 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.927 -0.471 19789 855 1 4 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.034 1.353 19789 856 1 4 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.423 0.213 19789 857 1 4 . 1 1 44 44 VAL H H 44 7.488 7.488 8.088 -0.600 19789 858 1 4 . 1 1 45 45 MET N N 45 116.122 116.122 120.936 -4.814 19789 859 1 4 . 1 1 45 45 MET HA H 45 4.171 4.171 3.931 0.240 19789 860 1 4 . 1 1 45 45 MET H H 45 8.357 8.357 7.437 0.920 19789 861 1 4 . 1 1 46 46 ARG N N 46 118.799 118.799 117.333 1.466 19789 862 1 4 . 1 1 46 46 ARG H H 46 8.115 8.115 7.722 0.393 19789 863 1 4 . 1 1 47 47 MET N N 47 122.183 122.183 116.623 5.560 19789 864 1 4 . 1 1 47 47 MET HA H 47 4.233 4.233 4.261 -0.028 19789 865 1 4 . 1 1 47 47 MET H H 47 7.866 7.866 7.826 0.040 19789 866 1 4 . 1 1 48 48 LEU N N 48 117.213 117.213 118.679 -1.466 19789 867 1 4 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.200 0.157 19789 868 1 4 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.562 -0.884 19789 869 1 4 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.732 -1.105 19789 870 1 4 . 1 1 48 48 LEU H H 48 7.499 7.499 7.752 -0.253 19789 871 1 4 . 1 1 49 49 GLY N N 49 107.154 107.154 105.446 1.708 19789 872 1 4 . 1 1 49 49 GLY H H 49 7.841 7.841 7.855 -0.014 19789 873 1 4 . 1 1 50 50 GLN N N 50 118.411 118.411 119.597 -1.186 19789 874 1 4 . 1 1 50 50 GLN H H 50 8.014 8.014 7.991 0.023 19789 875 1 4 . 1 1 51 51 ASN N N 51 116.615 116.615 116.908 -0.293 19789 876 1 4 . 1 1 51 51 ASN H H 51 8.716 8.716 8.530 0.186 19789 877 1 4 . 1 1 53 53 THR N N 53 113.821 113.821 113.236 0.585 19789 878 1 4 . 1 1 53 53 THR H H 53 8.801 8.801 8.354 0.447 19789 879 1 4 . 1 1 55 55 GLU N N 55 117.313 117.313 119.172 -1.859 19789 880 1 4 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.221 -0.199 19789 881 1 4 . 1 1 55 55 GLU H H 55 8.751 8.751 8.474 0.277 19789 882 1 4 . 1 1 56 56 GLU N N 56 121.618 121.618 118.400 3.218 19789 883 1 4 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.304 -0.306 19789 884 1 4 . 1 1 56 56 GLU H H 56 7.803 7.803 7.554 0.249 19789 885 1 4 . 1 1 57 57 LEU N N 57 119.131 119.131 120.727 -1.596 19789 886 1 4 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.779 0.269 19789 887 1 4 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.674 -0.827 19789 888 1 4 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.725 0.918 19789 889 1 4 . 1 1 57 57 LEU H H 57 8.179 8.179 8.687 -0.508 19789 890 1 4 . 1 1 58 58 GLN N N 58 117.777 117.777 117.329 0.448 19789 891 1 4 . 1 1 58 58 GLN H H 58 7.945 7.945 8.252 -0.307 19789 892 1 4 . 1 1 59 59 GLU N N 59 119.087 119.087 120.224 -1.137 19789 893 1 4 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.940 0.107 19789 894 1 4 . 1 1 59 59 GLU H H 59 7.887 7.887 8.814 -0.927 19789 895 1 4 . 1 1 60 60 MET N N 60 117.618 117.618 114.529 3.089 19789 896 1 4 . 1 1 60 60 MET HA H 60 3.921 3.921 4.206 -0.285 19789 897 1 4 . 1 1 60 60 MET H H 60 7.702 7.702 8.211 -0.509 19789 898 1 4 . 1 1 61 61 ILE N N 61 118.070 118.070 116.975 1.095 19789 899 1 4 . 1 1 61 61 ILE HA H 61 3.347 3.347 3.986 -0.639 19789 900 1 4 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.988 1.869 19789 901 1 4 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.236 -1.822 19789 902 1 4 . 1 1 61 61 ILE H H 61 7.358 7.358 7.761 -0.403 19789 903 1 4 . 1 1 62 62 ASP N N 62 119.384 119.384 120.927 -1.543 19789 904 1 4 . 1 1 62 62 ASP H H 62 8.683 8.683 8.863 -0.180 19789 905 1 4 . 1 1 63 63 GLU N N 63 115.866 115.866 118.716 -2.850 19789 906 1 4 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.144 -0.114 19789 907 1 4 . 1 1 63 63 GLU H H 63 7.612 7.612 8.054 -0.442 19789 908 1 4 . 1 1 64 64 VAL N N 64 107.501 107.501 112.284 -4.783 19789 909 1 4 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.359 0.186 19789 910 1 4 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.063 0.988 19789 911 1 4 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.052 1.330 19789 912 1 4 . 1 1 64 64 VAL H H 64 7.239 7.239 7.299 -0.060 19789 913 1 4 . 1 1 65 65 ASP N N 65 121.745 121.745 122.056 -0.311 19789 914 1 4 . 1 1 65 65 ASP H H 65 7.584 7.584 7.854 -0.270 19789 915 1 4 . 1 1 66 66 GLU N N 66 128.227 128.227 119.412 8.815 19789 916 1 4 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.108 0.078 19789 917 1 4 . 1 1 66 66 GLU H H 66 8.633 8.633 8.381 0.252 19789 918 1 4 . 1 1 67 67 ASP N N 67 114.509 114.509 119.127 -4.618 19789 919 1 4 . 1 1 67 67 ASP H H 67 7.967 7.967 8.127 -0.160 19789 920 1 4 . 1 1 68 68 GLY N N 68 108.897 108.897 109.835 -0.938 19789 921 1 4 . 1 1 68 68 GLY H H 68 7.765 7.765 8.675 -0.910 19789 922 1 4 . 1 1 69 69 SER N N 69 116.480 116.480 117.172 -0.692 19789 923 1 4 . 1 1 69 69 SER H H 69 8.452 8.452 8.988 -0.536 19789 924 1 4 . 1 1 70 70 GLY N N 70 116.525 116.525 110.816 5.709 19789 925 1 4 . 1 1 70 70 GLY H H 70 10.847 10.847 8.237 2.610 19789 926 1 4 . 1 1 71 71 THR N N 71 107.688 107.688 114.991 -7.303 19789 927 1 4 . 1 1 71 71 THR HA H 71 4.914 4.914 5.073 -0.159 19789 928 1 4 . 1 1 71 71 THR CA C 71 58.346 58.346 59.933 -1.587 19789 929 1 4 . 1 1 71 71 THR CB C 71 73.760 73.760 71.479 2.281 19789 930 1 4 . 1 1 71 71 THR H H 71 7.664 7.664 7.412 0.252 19789 931 1 4 . 1 1 72 72 VAL N N 72 126.813 126.813 122.465 4.348 19789 932 1 4 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.565 0.520 19789 933 1 4 . 1 1 72 72 VAL CB C 72 33.580 33.580 33.623 -0.043 19789 934 1 4 . 1 1 72 72 VAL H H 72 9.792 9.792 7.906 1.886 19789 935 1 4 . 1 1 73 73 ASP N N 73 128.665 128.665 120.254 8.411 19789 936 1 4 . 1 1 73 73 ASP H H 73 8.746 8.746 8.041 0.705 19789 937 1 4 . 1 1 74 74 PHE N N 74 118.267 118.267 118.682 -0.415 19789 938 1 4 . 1 1 74 74 PHE H H 74 8.577 8.577 9.505 -0.928 19789 939 1 4 . 1 1 75 75 ASP N N 75 117.261 117.261 118.841 -1.580 19789 940 1 4 . 1 1 75 75 ASP H H 75 7.654 7.654 7.541 0.113 19789 941 1 4 . 1 1 76 76 GLU N N 76 120.396 120.396 120.802 -0.406 19789 942 1 4 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.109 -0.082 19789 943 1 4 . 1 1 76 76 GLU H H 76 8.169 8.169 7.851 0.318 19789 944 1 4 . 1 1 77 77 PHE N N 77 122.823 122.823 121.149 1.674 19789 945 1 4 . 1 1 77 77 PHE H H 77 8.984 8.984 9.137 -0.153 19789 946 1 4 . 1 1 78 78 LEU N N 78 118.595 118.595 118.435 0.160 19789 947 1 4 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.717 -0.430 19789 948 1 4 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.853 0.262 19789 949 1 4 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.489 -0.136 19789 950 1 4 . 1 1 78 78 LEU H H 78 7.950 7.950 7.705 0.245 19789 951 1 4 . 1 1 79 79 VAL N N 79 118.101 118.101 118.796 -0.695 19789 952 1 4 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.577 -0.329 19789 953 1 4 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.867 0.033 19789 954 1 4 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.426 -0.527 19789 955 1 4 . 1 1 79 79 VAL H H 79 6.947 6.947 7.492 -0.545 19789 956 1 4 . 1 1 80 80 MET N N 80 119.853 119.853 117.093 2.760 19789 957 1 4 . 1 1 80 80 MET H H 80 7.952 7.952 7.598 0.354 19789 958 1 4 . 1 1 81 81 MET N N 81 117.448 117.448 116.288 1.160 19789 959 1 4 . 1 1 81 81 MET H H 81 8.110 8.110 8.037 0.073 19789 960 1 4 . 1 1 82 82 VAL N N 82 117.627 117.627 120.398 -2.771 19789 961 1 4 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.638 0.324 19789 962 1 4 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.328 -0.261 19789 963 1 4 . 1 1 82 82 VAL CB C 82 31.142 31.142 30.948 0.194 19789 964 1 4 . 1 1 82 82 VAL H H 82 8.183 8.183 7.486 0.697 19789 965 1 4 . 1 1 83 83 ARG N N 83 120.495 120.495 119.175 1.320 19789 966 1 4 . 1 1 83 83 ARG H H 83 8.169 8.169 8.251 -0.082 19789 967 1 4 . 1 1 84 84 CYS N N 84 113.519 113.519 116.795 -3.276 19789 968 1 4 . 1 1 84 84 CYS H H 84 7.507 7.507 7.664 -0.157 19789 969 1 4 . 1 1 85 85 MET N N 85 120.618 120.618 120.165 0.453 19789 970 1 4 . 1 1 85 85 MET H H 85 7.661 7.661 7.489 0.172 19789 971 1 4 . 1 1 86 86 LYS N N 86 120.147 120.147 118.251 1.896 19789 972 1 4 . 1 1 86 86 LYS H H 86 7.779 7.779 8.017 -0.238 19789 973 1 5 . 1 1 3 3 ASP N N 3 122.928 122.928 122.004 0.924 19789 974 1 5 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.898 -0.432 19789 975 1 5 . 1 1 3 3 ASP H H 3 8.538 8.538 8.632 -0.094 19789 976 1 5 . 1 1 4 4 ILE N N 4 119.305 119.305 120.355 -1.050 19789 977 1 5 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.785 0.126 19789 978 1 5 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.620 1.205 19789 979 1 5 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.995 -0.354 19789 980 1 5 . 1 1 4 4 ILE H H 4 8.236 8.236 8.141 0.095 19789 981 1 5 . 1 1 5 5 TYR N N 5 120.903 120.903 119.291 1.612 19789 982 1 5 . 1 1 5 5 TYR H H 5 7.618 7.618 7.506 0.112 19789 983 1 5 . 1 1 6 6 LYS N N 6 120.946 120.946 120.663 0.283 19789 984 1 5 . 1 1 6 6 LYS H H 6 7.894 7.894 8.665 -0.771 19789 985 1 5 . 1 1 7 7 ALA N N 7 120.284 120.284 120.485 -0.201 19789 986 1 5 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.335 -0.333 19789 987 1 5 . 1 1 7 7 ALA H H 7 7.934 7.934 7.546 0.388 19789 988 1 5 . 1 1 8 8 ALA N N 8 119.988 119.988 121.585 -1.597 19789 989 1 5 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.392 0.008 19789 990 1 5 . 1 1 8 8 ALA H H 8 7.501 7.501 7.614 -0.113 19789 991 1 5 . 1 1 9 9 VAL N N 9 119.175 119.175 118.276 0.899 19789 992 1 5 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.693 -0.133 19789 993 1 5 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.332 1.044 19789 994 1 5 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.362 0.394 19789 995 1 5 . 1 1 9 9 VAL H H 9 8.077 8.077 7.934 0.143 19789 996 1 5 . 1 1 10 10 GLU N N 10 118.387 118.387 118.508 -0.121 19789 997 1 5 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.074 0.043 19789 998 1 5 . 1 1 10 10 GLU H H 10 7.802 7.802 7.587 0.215 19789 999 1 5 . 1 1 11 11 GLN N N 11 114.922 114.922 117.963 -3.041 19789 1000 1 5 . 1 1 11 11 GLN H H 11 7.377 7.377 7.472 -0.095 19789 1001 1 5 . 1 1 12 12 LEU N N 12 120.676 120.676 121.683 -1.007 19789 1002 1 5 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.507 0.012 19789 1003 1 5 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.733 1.470 19789 1004 1 5 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.576 -1.482 19789 1005 1 5 . 1 1 12 12 LEU H H 12 7.388 7.388 7.240 0.148 19789 1006 1 5 . 1 1 13 13 THR N N 13 113.723 113.723 113.801 -0.078 19789 1007 1 5 . 1 1 13 13 THR HA H 13 4.438 4.438 4.510 -0.072 19789 1008 1 5 . 1 1 13 13 THR CA C 13 60.944 60.944 60.081 0.863 19789 1009 1 5 . 1 1 13 13 THR H H 13 8.875 8.875 8.230 0.645 19789 1010 1 5 . 1 1 14 14 GLU N N 14 121.739 121.739 122.239 -0.500 19789 1011 1 5 . 1 1 14 14 GLU H H 14 9.003 9.003 8.906 0.097 19789 1012 1 5 . 1 1 15 15 GLU N N 15 117.808 117.808 119.548 -1.740 19789 1013 1 5 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.094 -0.016 19789 1014 1 5 . 1 1 15 15 GLU H H 15 8.538 8.538 7.690 0.848 19789 1015 1 5 . 1 1 16 16 GLN N N 16 119.080 119.080 117.808 1.272 19789 1016 1 5 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.233 -0.326 19789 1017 1 5 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.631 1.391 19789 1018 1 5 . 1 1 16 16 GLN H H 16 7.875 7.875 7.887 -0.012 19789 1019 1 5 . 1 1 17 17 LYS N N 17 118.934 118.934 120.783 -1.849 19789 1020 1 5 . 1 1 17 17 LYS H H 17 8.650 8.650 7.890 0.760 19789 1021 1 5 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.477 0.080 19789 1022 1 5 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.003 0.038 19789 1023 1 5 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.459 -0.611 19789 1024 1 5 . 1 1 19 19 GLU N N 19 123.449 123.449 117.510 5.939 19789 1025 1 5 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.254 -0.072 19789 1026 1 5 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.356 1.801 19789 1027 1 5 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.346 -0.961 19789 1028 1 5 . 1 1 19 19 GLU H H 19 8.131 8.131 8.374 -0.243 19789 1029 1 5 . 1 1 20 20 PHE N N 20 117.873 117.873 119.707 -1.834 19789 1030 1 5 . 1 1 20 20 PHE H H 20 8.645 8.645 8.188 0.457 19789 1031 1 5 . 1 1 21 21 LYS N N 21 122.555 122.555 119.941 2.614 19789 1032 1 5 . 1 1 21 21 LYS H H 21 8.781 8.781 8.906 -0.125 19789 1033 1 5 . 1 1 22 22 ALA N N 22 121.657 121.657 122.163 -0.506 19789 1034 1 5 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.170 -0.487 19789 1035 1 5 . 1 1 22 22 ALA H H 22 7.844 7.844 7.214 0.630 19789 1036 1 5 . 1 1 23 23 ALA N N 23 119.044 119.044 121.496 -2.452 19789 1037 1 5 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.330 0.109 19789 1038 1 5 . 1 1 23 23 ALA H H 23 8.141 8.141 7.617 0.524 19789 1039 1 5 . 1 1 24 24 PHE N N 24 121.051 121.051 114.507 6.544 19789 1040 1 5 . 1 1 24 24 PHE H H 24 8.942 8.942 7.832 1.110 19789 1041 1 5 . 1 1 25 25 ASP N N 25 116.425 116.425 118.334 -1.909 19789 1042 1 5 . 1 1 25 25 ASP H H 25 8.546 8.546 7.332 1.214 19789 1043 1 5 . 1 1 26 26 ILE N N 26 119.584 119.584 120.722 -1.138 19789 1044 1 5 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.790 -0.057 19789 1045 1 5 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.238 -0.377 19789 1046 1 5 . 1 1 26 26 ILE H H 26 7.314 7.314 7.437 -0.123 19789 1047 1 5 . 1 1 27 27 PHE N N 27 120.837 120.837 118.209 2.628 19789 1048 1 5 . 1 1 27 27 PHE H H 27 8.103 8.103 8.593 -0.490 19789 1049 1 5 . 1 1 28 28 VAL N N 28 107.855 107.855 118.953 -11.098 19789 1050 1 5 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.490 -0.491 19789 1051 1 5 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.444 1.310 19789 1052 1 5 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.480 -0.971 19789 1053 1 5 . 1 1 28 28 VAL H H 28 7.555 7.555 7.189 0.366 19789 1054 1 5 . 1 1 29 29 LEU N N 29 125.187 125.187 124.302 0.885 19789 1055 1 5 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.834 0.569 19789 1056 1 5 . 1 1 29 29 LEU H H 29 7.229 7.229 7.283 -0.054 19789 1057 1 5 . 1 1 30 30 GLY N N 30 111.816 111.816 111.364 0.452 19789 1058 1 5 . 1 1 30 30 GLY H H 30 8.799 8.799 7.983 0.816 19789 1059 1 5 . 1 1 31 31 ALA N N 31 124.151 124.151 122.647 1.504 19789 1060 1 5 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.854 -0.081 19789 1061 1 5 . 1 1 31 31 ALA H H 31 7.946 7.946 7.691 0.255 19789 1062 1 5 . 1 1 32 32 GLU N N 32 124.621 124.621 120.532 4.089 19789 1063 1 5 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.250 -0.165 19789 1064 1 5 . 1 1 32 32 GLU H H 32 9.102 9.102 8.873 0.229 19789 1065 1 5 . 1 1 33 33 ASP N N 33 115.935 115.935 118.011 -2.076 19789 1066 1 5 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.742 -0.008 19789 1067 1 5 . 1 1 33 33 ASP H H 33 8.199 8.199 8.307 -0.108 19789 1068 1 5 . 1 1 34 34 GLY N N 34 105.713 105.713 110.159 -4.446 19789 1069 1 5 . 1 1 34 34 GLY H H 34 7.653 7.653 8.299 -0.646 19789 1070 1 5 . 1 1 35 35 CYS N N 35 113.447 113.447 116.286 -2.839 19789 1071 1 5 . 1 1 35 35 CYS H H 35 7.621 7.621 7.731 -0.110 19789 1072 1 5 . 1 1 36 36 ILE N N 36 119.384 119.384 117.520 1.864 19789 1073 1 5 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.415 -0.549 19789 1074 1 5 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.574 -2.110 19789 1075 1 5 . 1 1 36 36 ILE H H 36 8.793 8.793 7.765 1.028 19789 1076 1 5 . 1 1 37 37 SER N N 37 125.951 125.951 117.926 8.025 19789 1077 1 5 . 1 1 37 37 SER H H 37 9.421 9.421 8.898 0.523 19789 1078 1 5 . 1 1 38 38 THR N N 38 112.286 112.286 116.926 -4.640 19789 1079 1 5 . 1 1 38 38 THR HA H 38 3.726 3.726 3.689 0.037 19789 1080 1 5 . 1 1 38 38 THR CA C 38 66.708 66.708 66.035 0.673 19789 1081 1 5 . 1 1 38 38 THR H H 38 8.816 8.816 8.344 0.472 19789 1082 1 5 . 1 1 39 39 LYS N N 39 122.672 122.672 121.969 0.703 19789 1083 1 5 . 1 1 39 39 LYS H H 39 8.016 8.016 8.321 -0.305 19789 1084 1 5 . 1 1 40 40 GLU N N 40 119.098 119.098 116.493 2.605 19789 1085 1 5 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.216 -0.032 19789 1086 1 5 . 1 1 40 40 GLU H H 40 7.705 7.705 8.527 -0.822 19789 1087 1 5 . 1 1 41 41 LEU N N 41 119.205 119.205 121.428 -2.223 19789 1088 1 5 . 1 1 41 41 LEU HA H 41 4.110 4.110 4.071 0.039 19789 1089 1 5 . 1 1 41 41 LEU CA C 41 57.688 57.688 58.249 -0.561 19789 1090 1 5 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.518 0.992 19789 1091 1 5 . 1 1 41 41 LEU H H 41 8.356 8.356 8.023 0.333 19789 1092 1 5 . 1 1 42 42 GLY N N 42 105.741 105.741 105.563 0.178 19789 1093 1 5 . 1 1 42 42 GLY H H 42 8.422 8.422 8.580 -0.158 19789 1094 1 5 . 1 1 43 43 LYS N N 43 120.666 120.666 120.943 -0.277 19789 1095 1 5 . 1 1 43 43 LYS H H 43 7.265 7.265 7.909 -0.644 19789 1096 1 5 . 1 1 44 44 VAL N N 44 119.328 119.328 116.141 3.187 19789 1097 1 5 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.890 -0.434 19789 1098 1 5 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.588 0.799 19789 1099 1 5 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.801 -0.165 19789 1100 1 5 . 1 1 44 44 VAL H H 44 7.488 7.488 8.095 -0.607 19789 1101 1 5 . 1 1 45 45 MET N N 45 116.122 116.122 119.877 -3.755 19789 1102 1 5 . 1 1 45 45 MET HA H 45 4.171 4.171 4.029 0.142 19789 1103 1 5 . 1 1 45 45 MET H H 45 8.357 8.357 7.455 0.902 19789 1104 1 5 . 1 1 46 46 ARG N N 46 118.799 118.799 117.370 1.429 19789 1105 1 5 . 1 1 46 46 ARG H H 46 8.115 8.115 7.782 0.333 19789 1106 1 5 . 1 1 47 47 MET N N 47 122.183 122.183 117.172 5.011 19789 1107 1 5 . 1 1 47 47 MET HA H 47 4.233 4.233 4.287 -0.054 19789 1108 1 5 . 1 1 47 47 MET H H 47 7.866 7.866 7.788 0.078 19789 1109 1 5 . 1 1 48 48 LEU N N 48 117.213 117.213 118.763 -1.550 19789 1110 1 5 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.198 0.159 19789 1111 1 5 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.847 -1.169 19789 1112 1 5 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.700 -1.073 19789 1113 1 5 . 1 1 48 48 LEU H H 48 7.499 7.499 7.926 -0.427 19789 1114 1 5 . 1 1 49 49 GLY N N 49 107.154 107.154 105.185 1.969 19789 1115 1 5 . 1 1 49 49 GLY H H 49 7.841 7.841 7.828 0.013 19789 1116 1 5 . 1 1 50 50 GLN N N 50 118.411 118.411 117.450 0.961 19789 1117 1 5 . 1 1 50 50 GLN H H 50 8.014 8.014 8.129 -0.115 19789 1118 1 5 . 1 1 51 51 ASN N N 51 116.615 116.615 114.606 2.009 19789 1119 1 5 . 1 1 51 51 ASN H H 51 8.716 8.716 8.519 0.197 19789 1120 1 5 . 1 1 53 53 THR N N 53 113.821 113.821 113.266 0.555 19789 1121 1 5 . 1 1 53 53 THR H H 53 8.801 8.801 8.308 0.493 19789 1122 1 5 . 1 1 55 55 GLU N N 55 117.313 117.313 117.363 -0.050 19789 1123 1 5 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.141 -0.119 19789 1124 1 5 . 1 1 55 55 GLU H H 55 8.751 8.751 8.612 0.139 19789 1125 1 5 . 1 1 56 56 GLU N N 56 121.618 121.618 118.928 2.690 19789 1126 1 5 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.283 -0.285 19789 1127 1 5 . 1 1 56 56 GLU H H 56 7.803 7.803 7.465 0.338 19789 1128 1 5 . 1 1 57 57 LEU N N 57 119.131 119.131 121.936 -2.805 19789 1129 1 5 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.971 0.077 19789 1130 1 5 . 1 1 57 57 LEU CA C 57 57.847 57.847 57.703 0.144 19789 1131 1 5 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.390 1.253 19789 1132 1 5 . 1 1 57 57 LEU H H 57 8.179 8.179 8.585 -0.406 19789 1133 1 5 . 1 1 58 58 GLN N N 58 117.777 117.777 118.161 -0.384 19789 1134 1 5 . 1 1 58 58 GLN H H 58 7.945 7.945 8.206 -0.261 19789 1135 1 5 . 1 1 59 59 GLU N N 59 119.087 119.087 120.528 -1.441 19789 1136 1 5 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.944 0.103 19789 1137 1 5 . 1 1 59 59 GLU H H 59 7.887 7.887 8.829 -0.942 19789 1138 1 5 . 1 1 60 60 MET N N 60 117.618 117.618 114.497 3.121 19789 1139 1 5 . 1 1 60 60 MET HA H 60 3.921 3.921 4.146 -0.225 19789 1140 1 5 . 1 1 60 60 MET H H 60 7.702 7.702 8.096 -0.394 19789 1141 1 5 . 1 1 61 61 ILE N N 61 118.070 118.070 116.447 1.623 19789 1142 1 5 . 1 1 61 61 ILE HA H 61 3.347 3.347 3.784 -0.437 19789 1143 1 5 . 1 1 61 61 ILE CA C 61 64.857 64.857 63.009 1.848 19789 1144 1 5 . 1 1 61 61 ILE CB C 61 37.414 37.414 38.966 -1.552 19789 1145 1 5 . 1 1 61 61 ILE H H 61 7.358 7.358 7.732 -0.374 19789 1146 1 5 . 1 1 62 62 ASP N N 62 119.384 119.384 120.590 -1.206 19789 1147 1 5 . 1 1 62 62 ASP H H 62 8.683 8.683 8.830 -0.147 19789 1148 1 5 . 1 1 63 63 GLU N N 63 115.866 115.866 119.391 -3.525 19789 1149 1 5 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.130 -0.100 19789 1150 1 5 . 1 1 63 63 GLU H H 63 7.612 7.612 7.749 -0.137 19789 1151 1 5 . 1 1 64 64 VAL N N 64 107.501 107.501 108.681 -1.180 19789 1152 1 5 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.413 0.132 19789 1153 1 5 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.403 0.648 19789 1154 1 5 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.030 0.352 19789 1155 1 5 . 1 1 64 64 VAL H H 64 7.239 7.239 7.246 -0.007 19789 1156 1 5 . 1 1 65 65 ASP N N 65 121.745 121.745 122.330 -0.585 19789 1157 1 5 . 1 1 65 65 ASP H H 65 7.584 7.584 7.867 -0.283 19789 1158 1 5 . 1 1 66 66 GLU N N 66 128.227 128.227 122.690 5.537 19789 1159 1 5 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.344 -0.158 19789 1160 1 5 . 1 1 66 66 GLU H H 66 8.633 8.633 8.606 0.027 19789 1161 1 5 . 1 1 67 67 ASP N N 67 114.509 114.509 117.863 -3.354 19789 1162 1 5 . 1 1 67 67 ASP H H 67 7.967 7.967 8.243 -0.276 19789 1163 1 5 . 1 1 68 68 GLY N N 68 108.897 108.897 108.369 0.528 19789 1164 1 5 . 1 1 68 68 GLY H H 68 7.765 7.765 8.698 -0.933 19789 1165 1 5 . 1 1 69 69 SER N N 69 116.480 116.480 118.539 -2.059 19789 1166 1 5 . 1 1 69 69 SER H H 69 8.452 8.452 8.431 0.021 19789 1167 1 5 . 1 1 70 70 GLY N N 70 116.525 116.525 107.677 8.848 19789 1168 1 5 . 1 1 70 70 GLY H H 70 10.847 10.847 8.284 2.563 19789 1169 1 5 . 1 1 71 71 THR N N 71 107.688 107.688 112.308 -4.620 19789 1170 1 5 . 1 1 71 71 THR HA H 71 4.914 4.914 4.647 0.267 19789 1171 1 5 . 1 1 71 71 THR CA C 71 58.346 58.346 59.719 -1.373 19789 1172 1 5 . 1 1 71 71 THR CB C 71 73.760 73.760 71.210 2.550 19789 1173 1 5 . 1 1 71 71 THR H H 71 7.664 7.664 7.423 0.241 19789 1174 1 5 . 1 1 72 72 VAL N N 72 126.813 126.813 121.304 5.509 19789 1175 1 5 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.441 0.644 19789 1176 1 5 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.411 -0.831 19789 1177 1 5 . 1 1 72 72 VAL H H 72 9.792 9.792 7.981 1.811 19789 1178 1 5 . 1 1 73 73 ASP N N 73 128.665 128.665 122.052 6.613 19789 1179 1 5 . 1 1 73 73 ASP H H 73 8.746 8.746 8.001 0.745 19789 1180 1 5 . 1 1 74 74 PHE N N 74 118.267 118.267 117.101 1.166 19789 1181 1 5 . 1 1 74 74 PHE H H 74 8.577 8.577 9.405 -0.828 19789 1182 1 5 . 1 1 75 75 ASP N N 75 117.261 117.261 118.807 -1.546 19789 1183 1 5 . 1 1 75 75 ASP H H 75 7.654 7.654 8.551 -0.897 19789 1184 1 5 . 1 1 76 76 GLU N N 76 120.396 120.396 121.503 -1.107 19789 1185 1 5 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.179 -0.152 19789 1186 1 5 . 1 1 76 76 GLU H H 76 8.169 8.169 9.488 -1.319 19789 1187 1 5 . 1 1 77 77 PHE N N 77 122.823 122.823 120.403 2.420 19789 1188 1 5 . 1 1 77 77 PHE H H 77 8.984 8.984 8.650 0.334 19789 1189 1 5 . 1 1 78 78 LEU N N 78 118.595 118.595 119.839 -1.244 19789 1190 1 5 . 1 1 78 78 LEU HA H 78 3.287 3.287 4.721 -1.434 19789 1191 1 5 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.392 -0.278 19789 1192 1 5 . 1 1 78 78 LEU CB C 78 41.353 41.353 42.162 -0.809 19789 1193 1 5 . 1 1 78 78 LEU H H 78 7.950 7.950 8.149 -0.199 19789 1194 1 5 . 1 1 79 79 VAL N N 79 118.101 118.101 118.551 -0.450 19789 1195 1 5 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.829 -0.581 19789 1196 1 5 . 1 1 79 79 VAL CA C 79 66.900 66.900 65.880 1.020 19789 1197 1 5 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.411 -0.512 19789 1198 1 5 . 1 1 79 79 VAL H H 79 6.947 6.947 7.769 -0.822 19789 1199 1 5 . 1 1 80 80 MET N N 80 119.853 119.853 117.902 1.951 19789 1200 1 5 . 1 1 80 80 MET H H 80 7.952 7.952 8.392 -0.440 19789 1201 1 5 . 1 1 81 81 MET N N 81 117.448 117.448 117.325 0.123 19789 1202 1 5 . 1 1 81 81 MET H H 81 8.110 8.110 8.070 0.040 19789 1203 1 5 . 1 1 82 82 VAL N N 82 117.627 117.627 121.857 -4.230 19789 1204 1 5 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.647 0.315 19789 1205 1 5 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.359 -0.292 19789 1206 1 5 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.471 -0.329 19789 1207 1 5 . 1 1 82 82 VAL H H 82 8.183 8.183 7.660 0.523 19789 1208 1 5 . 1 1 83 83 ARG N N 83 120.495 120.495 117.782 2.713 19789 1209 1 5 . 1 1 83 83 ARG H H 83 8.169 8.169 8.348 -0.179 19789 1210 1 5 . 1 1 84 84 CYS N N 84 113.519 113.519 117.457 -3.938 19789 1211 1 5 . 1 1 84 84 CYS H H 84 7.507 7.507 7.786 -0.279 19789 1212 1 5 . 1 1 85 85 MET N N 85 120.618 120.618 121.382 -0.764 19789 1213 1 5 . 1 1 85 85 MET H H 85 7.661 7.661 7.637 0.024 19789 1214 1 5 . 1 1 86 86 LYS N N 86 120.147 120.147 118.152 1.995 19789 1215 1 5 . 1 1 86 86 LYS H H 86 7.779 7.779 8.131 -0.352 19789 1216 1 6 . 1 1 3 3 ASP N N 3 122.928 122.928 118.760 4.168 19789 1217 1 6 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.184 0.282 19789 1218 1 6 . 1 1 3 3 ASP H H 3 8.538 8.538 8.310 0.228 19789 1219 1 6 . 1 1 4 4 ILE N N 4 119.305 119.305 119.899 -0.594 19789 1220 1 6 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.842 0.069 19789 1221 1 6 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.052 1.773 19789 1222 1 6 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.581 0.060 19789 1223 1 6 . 1 1 4 4 ILE H H 4 8.236 8.236 8.253 -0.017 19789 1224 1 6 . 1 1 5 5 TYR N N 5 120.903 120.903 116.212 4.691 19789 1225 1 6 . 1 1 5 5 TYR H H 5 7.618 7.618 6.767 0.851 19789 1226 1 6 . 1 1 6 6 LYS N N 6 120.946 120.946 120.993 -0.047 19789 1227 1 6 . 1 1 6 6 LYS H H 6 7.894 7.894 7.869 0.025 19789 1228 1 6 . 1 1 7 7 ALA N N 7 120.284 120.284 120.245 0.039 19789 1229 1 6 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.234 -0.231 19789 1230 1 6 . 1 1 7 7 ALA H H 7 7.934 7.934 7.337 0.598 19789 1231 1 6 . 1 1 8 8 ALA N N 8 119.988 119.988 122.025 -2.037 19789 1232 1 6 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.357 0.043 19789 1233 1 6 . 1 1 8 8 ALA H H 8 7.501 7.501 7.612 -0.111 19789 1234 1 6 . 1 1 9 9 VAL N N 9 119.175 119.175 117.606 1.569 19789 1235 1 6 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.539 0.021 19789 1236 1 6 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.958 0.418 19789 1237 1 6 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.762 -0.006 19789 1238 1 6 . 1 1 9 9 VAL H H 9 8.077 8.077 7.822 0.255 19789 1239 1 6 . 1 1 10 10 GLU N N 10 118.387 118.387 118.791 -0.404 19789 1240 1 6 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.074 0.043 19789 1241 1 6 . 1 1 10 10 GLU H H 10 7.802 7.802 7.703 0.099 19789 1242 1 6 . 1 1 11 11 GLN N N 11 114.922 114.922 117.862 -2.940 19789 1243 1 6 . 1 1 11 11 GLN H H 11 7.377 7.377 7.455 -0.078 19789 1244 1 6 . 1 1 12 12 LEU N N 12 120.676 120.676 121.741 -1.065 19789 1245 1 6 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.509 0.010 19789 1246 1 6 . 1 1 12 12 LEU CA C 12 55.203 55.203 54.049 1.154 19789 1247 1 6 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.555 -1.461 19789 1248 1 6 . 1 1 12 12 LEU H H 12 7.388 7.388 7.183 0.205 19789 1249 1 6 . 1 1 13 13 THR N N 13 113.723 113.723 118.298 -4.575 19789 1250 1 6 . 1 1 13 13 THR HA H 13 4.438 4.438 4.560 -0.122 19789 1251 1 6 . 1 1 13 13 THR CA C 13 60.944 60.944 60.578 0.366 19789 1252 1 6 . 1 1 13 13 THR H H 13 8.875 8.875 8.382 0.493 19789 1253 1 6 . 1 1 14 14 GLU N N 14 121.739 121.739 122.562 -0.823 19789 1254 1 6 . 1 1 14 14 GLU H H 14 9.003 9.003 8.941 0.062 19789 1255 1 6 . 1 1 15 15 GLU N N 15 117.808 117.808 117.966 -0.158 19789 1256 1 6 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.175 -0.097 19789 1257 1 6 . 1 1 15 15 GLU H H 15 8.538 8.538 8.678 -0.140 19789 1258 1 6 . 1 1 16 16 GLN N N 16 119.080 119.080 118.142 0.938 19789 1259 1 6 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.346 -0.439 19789 1260 1 6 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.309 1.713 19789 1261 1 6 . 1 1 16 16 GLN H H 16 7.875 7.875 8.110 -0.235 19789 1262 1 6 . 1 1 17 17 LYS N N 17 118.934 118.934 120.963 -2.029 19789 1263 1 6 . 1 1 17 17 LYS H H 17 8.650 8.650 8.011 0.639 19789 1264 1 6 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.459 0.098 19789 1265 1 6 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.183 -0.142 19789 1266 1 6 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.428 -0.580 19789 1267 1 6 . 1 1 19 19 GLU N N 19 123.449 123.449 117.918 5.531 19789 1268 1 6 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.202 -0.019 19789 1269 1 6 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.520 1.637 19789 1270 1 6 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.100 -0.715 19789 1271 1 6 . 1 1 19 19 GLU H H 19 8.131 8.131 8.366 -0.235 19789 1272 1 6 . 1 1 20 20 PHE N N 20 117.873 117.873 121.091 -3.218 19789 1273 1 6 . 1 1 20 20 PHE H H 20 8.645 8.645 8.109 0.536 19789 1274 1 6 . 1 1 21 21 LYS N N 21 122.555 122.555 119.295 3.260 19789 1275 1 6 . 1 1 21 21 LYS H H 21 8.781 8.781 8.977 -0.196 19789 1276 1 6 . 1 1 22 22 ALA N N 22 121.657 121.657 121.958 -0.301 19789 1277 1 6 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.212 -0.529 19789 1278 1 6 . 1 1 22 22 ALA H H 22 7.844 7.844 7.417 0.427 19789 1279 1 6 . 1 1 23 23 ALA N N 23 119.044 119.044 121.933 -2.889 19789 1280 1 6 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.073 0.366 19789 1281 1 6 . 1 1 23 23 ALA H H 23 8.141 8.141 7.553 0.588 19789 1282 1 6 . 1 1 24 24 PHE N N 24 121.051 121.051 117.164 3.887 19789 1283 1 6 . 1 1 24 24 PHE H H 24 8.942 8.942 7.873 1.069 19789 1284 1 6 . 1 1 25 25 ASP N N 25 116.425 116.425 118.804 -2.379 19789 1285 1 6 . 1 1 25 25 ASP H H 25 8.546 8.546 7.621 0.925 19789 1286 1 6 . 1 1 26 26 ILE N N 26 119.584 119.584 120.907 -1.323 19789 1287 1 6 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.725 0.008 19789 1288 1 6 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.017 -0.156 19789 1289 1 6 . 1 1 26 26 ILE H H 26 7.314 7.314 7.597 -0.283 19789 1290 1 6 . 1 1 27 27 PHE N N 27 120.837 120.837 118.124 2.713 19789 1291 1 6 . 1 1 27 27 PHE H H 27 8.103 8.103 8.620 -0.517 19789 1292 1 6 . 1 1 28 28 VAL N N 28 107.855 107.855 112.500 -4.645 19789 1293 1 6 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.224 -0.225 19789 1294 1 6 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.390 1.364 19789 1295 1 6 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.470 0.039 19789 1296 1 6 . 1 1 28 28 VAL H H 28 7.555 7.555 7.201 0.354 19789 1297 1 6 . 1 1 29 29 LEU N N 29 125.187 125.187 124.697 0.490 19789 1298 1 6 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.303 1.100 19789 1299 1 6 . 1 1 29 29 LEU H H 29 7.229 7.229 7.187 0.042 19789 1300 1 6 . 1 1 30 30 GLY N N 30 111.816 111.816 111.808 0.008 19789 1301 1 6 . 1 1 30 30 GLY H H 30 8.799 8.799 8.114 0.685 19789 1302 1 6 . 1 1 31 31 ALA N N 31 124.151 124.151 122.319 1.832 19789 1303 1 6 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.477 0.295 19789 1304 1 6 . 1 1 31 31 ALA H H 31 7.946 7.946 7.423 0.523 19789 1305 1 6 . 1 1 32 32 GLU N N 32 124.621 124.621 118.978 5.643 19789 1306 1 6 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.191 -0.106 19789 1307 1 6 . 1 1 32 32 GLU H H 32 9.102 9.102 8.585 0.517 19789 1308 1 6 . 1 1 33 33 ASP N N 33 115.935 115.935 117.840 -1.905 19789 1309 1 6 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.664 0.070 19789 1310 1 6 . 1 1 33 33 ASP H H 33 8.199 8.199 8.480 -0.281 19789 1311 1 6 . 1 1 34 34 GLY N N 34 105.713 105.713 109.649 -3.936 19789 1312 1 6 . 1 1 34 34 GLY H H 34 7.653 7.653 8.253 -0.600 19789 1313 1 6 . 1 1 35 35 CYS N N 35 113.447 113.447 116.899 -3.452 19789 1314 1 6 . 1 1 35 35 CYS H H 35 7.621 7.621 7.691 -0.070 19789 1315 1 6 . 1 1 36 36 ILE N N 36 119.384 119.384 117.808 1.576 19789 1316 1 6 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.491 -0.625 19789 1317 1 6 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.707 -2.243 19789 1318 1 6 . 1 1 36 36 ILE H H 36 8.793 8.793 8.036 0.757 19789 1319 1 6 . 1 1 37 37 SER N N 37 125.951 125.951 122.131 3.820 19789 1320 1 6 . 1 1 37 37 SER H H 37 9.421 9.421 8.682 0.739 19789 1321 1 6 . 1 1 38 38 THR N N 38 112.286 112.286 118.188 -5.902 19789 1322 1 6 . 1 1 38 38 THR HA H 38 3.726 3.726 3.740 -0.014 19789 1323 1 6 . 1 1 38 38 THR CA C 38 66.708 66.708 65.289 1.419 19789 1324 1 6 . 1 1 38 38 THR H H 38 8.816 8.816 8.179 0.637 19789 1325 1 6 . 1 1 39 39 LYS N N 39 122.672 122.672 120.545 2.127 19789 1326 1 6 . 1 1 39 39 LYS H H 39 8.016 8.016 8.354 -0.338 19789 1327 1 6 . 1 1 40 40 GLU N N 40 119.098 119.098 117.045 2.053 19789 1328 1 6 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.164 0.020 19789 1329 1 6 . 1 1 40 40 GLU H H 40 7.705 7.705 8.430 -0.725 19789 1330 1 6 . 1 1 41 41 LEU N N 41 119.205 119.205 121.042 -1.837 19789 1331 1 6 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.318 0.792 19789 1332 1 6 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.193 0.495 19789 1333 1 6 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.420 1.090 19789 1334 1 6 . 1 1 41 41 LEU H H 41 8.356 8.356 7.911 0.445 19789 1335 1 6 . 1 1 42 42 GLY N N 42 105.741 105.741 105.532 0.209 19789 1336 1 6 . 1 1 42 42 GLY H H 42 8.422 8.422 8.415 0.007 19789 1337 1 6 . 1 1 43 43 LYS N N 43 120.666 120.666 121.087 -0.421 19789 1338 1 6 . 1 1 43 43 LYS H H 43 7.265 7.265 7.735 -0.470 19789 1339 1 6 . 1 1 44 44 VAL N N 44 119.328 119.328 117.421 1.907 19789 1340 1 6 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.772 -0.316 19789 1341 1 6 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.487 0.900 19789 1342 1 6 . 1 1 44 44 VAL CB C 44 31.636 31.636 30.869 0.767 19789 1343 1 6 . 1 1 44 44 VAL H H 44 7.488 7.488 7.971 -0.483 19789 1344 1 6 . 1 1 45 45 MET N N 45 116.122 116.122 120.870 -4.748 19789 1345 1 6 . 1 1 45 45 MET HA H 45 4.171 4.171 3.979 0.192 19789 1346 1 6 . 1 1 45 45 MET H H 45 8.357 8.357 7.154 1.203 19789 1347 1 6 . 1 1 46 46 ARG N N 46 118.799 118.799 118.980 -0.181 19789 1348 1 6 . 1 1 46 46 ARG H H 46 8.115 8.115 7.637 0.478 19789 1349 1 6 . 1 1 47 47 MET N N 47 122.183 122.183 115.833 6.350 19789 1350 1 6 . 1 1 47 47 MET HA H 47 4.233 4.233 4.289 -0.056 19789 1351 1 6 . 1 1 47 47 MET H H 47 7.866 7.866 7.811 0.055 19789 1352 1 6 . 1 1 48 48 LEU N N 48 117.213 117.213 118.305 -1.092 19789 1353 1 6 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.209 0.148 19789 1354 1 6 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.420 -0.742 19789 1355 1 6 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.721 -1.094 19789 1356 1 6 . 1 1 48 48 LEU H H 48 7.499 7.499 7.723 -0.224 19789 1357 1 6 . 1 1 49 49 GLY N N 49 107.154 107.154 105.854 1.300 19789 1358 1 6 . 1 1 49 49 GLY H H 49 7.841 7.841 7.799 0.042 19789 1359 1 6 . 1 1 50 50 GLN N N 50 118.411 118.411 118.702 -0.291 19789 1360 1 6 . 1 1 50 50 GLN H H 50 8.014 8.014 8.015 -0.001 19789 1361 1 6 . 1 1 51 51 ASN N N 51 116.615 116.615 116.642 -0.027 19789 1362 1 6 . 1 1 51 51 ASN H H 51 8.716 8.716 8.475 0.241 19789 1363 1 6 . 1 1 53 53 THR N N 53 113.821 113.821 113.226 0.595 19789 1364 1 6 . 1 1 53 53 THR H H 53 8.801 8.801 8.290 0.511 19789 1365 1 6 . 1 1 55 55 GLU N N 55 117.313 117.313 118.793 -1.480 19789 1366 1 6 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.259 -0.237 19789 1367 1 6 . 1 1 55 55 GLU H H 55 8.751 8.751 8.551 0.200 19789 1368 1 6 . 1 1 56 56 GLU N N 56 121.618 121.618 118.511 3.107 19789 1369 1 6 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.354 -0.356 19789 1370 1 6 . 1 1 56 56 GLU H H 56 7.803 7.803 7.422 0.381 19789 1371 1 6 . 1 1 57 57 LEU N N 57 119.131 119.131 122.037 -2.906 19789 1372 1 6 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.994 0.054 19789 1373 1 6 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.062 -0.215 19789 1374 1 6 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.255 1.388 19789 1375 1 6 . 1 1 57 57 LEU H H 57 8.179 8.179 8.676 -0.497 19789 1376 1 6 . 1 1 58 58 GLN N N 58 117.777 117.777 117.354 0.423 19789 1377 1 6 . 1 1 58 58 GLN H H 58 7.945 7.945 8.349 -0.404 19789 1378 1 6 . 1 1 59 59 GLU N N 59 119.087 119.087 120.206 -1.119 19789 1379 1 6 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.964 0.083 19789 1380 1 6 . 1 1 59 59 GLU H H 59 7.887 7.887 8.837 -0.950 19789 1381 1 6 . 1 1 60 60 MET N N 60 117.618 117.618 114.962 2.656 19789 1382 1 6 . 1 1 60 60 MET HA H 60 3.921 3.921 4.502 -0.581 19789 1383 1 6 . 1 1 60 60 MET H H 60 7.702 7.702 8.538 -0.836 19789 1384 1 6 . 1 1 61 61 ILE N N 61 118.070 118.070 118.094 -0.024 19789 1385 1 6 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.238 -0.891 19789 1386 1 6 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.312 2.545 19789 1387 1 6 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.548 -2.134 19789 1388 1 6 . 1 1 61 61 ILE H H 61 7.358 7.358 7.918 -0.560 19789 1389 1 6 . 1 1 62 62 ASP N N 62 119.384 119.384 121.715 -2.331 19789 1390 1 6 . 1 1 62 62 ASP H H 62 8.683 8.683 8.950 -0.267 19789 1391 1 6 . 1 1 63 63 GLU N N 63 115.866 115.866 117.922 -2.056 19789 1392 1 6 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.214 -0.184 19789 1393 1 6 . 1 1 63 63 GLU H H 63 7.612 7.612 7.864 -0.252 19789 1394 1 6 . 1 1 64 64 VAL N N 64 107.501 107.501 109.614 -2.113 19789 1395 1 6 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.387 0.158 19789 1396 1 6 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.536 0.515 19789 1397 1 6 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.369 0.013 19789 1398 1 6 . 1 1 64 64 VAL H H 64 7.239 7.239 7.500 -0.261 19789 1399 1 6 . 1 1 65 65 ASP N N 65 121.745 121.745 122.364 -0.619 19789 1400 1 6 . 1 1 65 65 ASP H H 65 7.584 7.584 7.854 -0.270 19789 1401 1 6 . 1 1 66 66 GLU N N 66 128.227 128.227 123.815 4.412 19789 1402 1 6 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.387 -0.201 19789 1403 1 6 . 1 1 66 66 GLU H H 66 8.633 8.633 8.589 0.044 19789 1404 1 6 . 1 1 67 67 ASP N N 67 114.509 114.509 118.215 -3.706 19789 1405 1 6 . 1 1 67 67 ASP H H 67 7.967 7.967 8.201 -0.234 19789 1406 1 6 . 1 1 68 68 GLY N N 68 108.897 108.897 109.698 -0.801 19789 1407 1 6 . 1 1 68 68 GLY H H 68 7.765 7.765 8.569 -0.804 19789 1408 1 6 . 1 1 69 69 SER N N 69 116.480 116.480 115.694 0.786 19789 1409 1 6 . 1 1 69 69 SER H H 69 8.452 8.452 8.646 -0.194 19789 1410 1 6 . 1 1 70 70 GLY N N 70 116.525 116.525 112.136 4.389 19789 1411 1 6 . 1 1 70 70 GLY H H 70 10.847 10.847 8.607 2.240 19789 1412 1 6 . 1 1 71 71 THR N N 71 107.688 107.688 114.398 -6.710 19789 1413 1 6 . 1 1 71 71 THR HA H 71 4.914 4.914 5.239 -0.325 19789 1414 1 6 . 1 1 71 71 THR CA C 71 58.346 58.346 59.721 -1.375 19789 1415 1 6 . 1 1 71 71 THR CB C 71 73.760 73.760 71.719 2.041 19789 1416 1 6 . 1 1 71 71 THR H H 71 7.664 7.664 7.509 0.155 19789 1417 1 6 . 1 1 72 72 VAL N N 72 126.813 126.813 122.279 4.534 19789 1418 1 6 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.685 0.400 19789 1419 1 6 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.025 -0.445 19789 1420 1 6 . 1 1 72 72 VAL H H 72 9.792 9.792 7.843 1.949 19789 1421 1 6 . 1 1 73 73 ASP N N 73 128.665 128.665 120.837 7.828 19789 1422 1 6 . 1 1 73 73 ASP H H 73 8.746 8.746 8.144 0.602 19789 1423 1 6 . 1 1 74 74 PHE N N 74 118.267 118.267 118.344 -0.077 19789 1424 1 6 . 1 1 74 74 PHE H H 74 8.577 8.577 9.264 -0.687 19789 1425 1 6 . 1 1 75 75 ASP N N 75 117.261 117.261 119.011 -1.750 19789 1426 1 6 . 1 1 75 75 ASP H H 75 7.654 7.654 7.598 0.056 19789 1427 1 6 . 1 1 76 76 GLU N N 76 120.396 120.396 121.055 -0.659 19789 1428 1 6 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.123 -0.096 19789 1429 1 6 . 1 1 76 76 GLU H H 76 8.169 8.169 7.850 0.319 19789 1430 1 6 . 1 1 77 77 PHE N N 77 122.823 122.823 120.845 1.978 19789 1431 1 6 . 1 1 77 77 PHE H H 77 8.984 8.984 9.157 -0.173 19789 1432 1 6 . 1 1 78 78 LEU N N 78 118.595 118.595 118.929 -0.334 19789 1433 1 6 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.820 -0.533 19789 1434 1 6 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.874 0.241 19789 1435 1 6 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.254 0.099 19789 1436 1 6 . 1 1 78 78 LEU H H 78 7.950 7.950 7.712 0.238 19789 1437 1 6 . 1 1 79 79 VAL N N 79 118.101 118.101 118.902 -0.801 19789 1438 1 6 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.562 -0.314 19789 1439 1 6 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.618 0.282 19789 1440 1 6 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.087 -0.188 19789 1441 1 6 . 1 1 79 79 VAL H H 79 6.947 6.947 7.369 -0.422 19789 1442 1 6 . 1 1 80 80 MET N N 80 119.853 119.853 117.221 2.632 19789 1443 1 6 . 1 1 80 80 MET H H 80 7.952 7.952 7.845 0.107 19789 1444 1 6 . 1 1 81 81 MET N N 81 117.448 117.448 115.973 1.475 19789 1445 1 6 . 1 1 81 81 MET H H 81 8.110 8.110 7.807 0.303 19789 1446 1 6 . 1 1 82 82 VAL N N 82 117.627 117.627 120.355 -2.728 19789 1447 1 6 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.610 0.352 19789 1448 1 6 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.170 -0.103 19789 1449 1 6 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.391 -0.249 19789 1450 1 6 . 1 1 82 82 VAL H H 82 8.183 8.183 7.468 0.715 19789 1451 1 6 . 1 1 83 83 ARG N N 83 120.495 120.495 120.141 0.354 19789 1452 1 6 . 1 1 83 83 ARG H H 83 8.169 8.169 8.194 -0.025 19789 1453 1 6 . 1 1 84 84 CYS N N 84 113.519 113.519 117.015 -3.496 19789 1454 1 6 . 1 1 84 84 CYS H H 84 7.507 7.507 7.735 -0.228 19789 1455 1 6 . 1 1 85 85 MET N N 85 120.618 120.618 121.207 -0.589 19789 1456 1 6 . 1 1 85 85 MET H H 85 7.661 7.661 7.541 0.120 19789 1457 1 6 . 1 1 86 86 LYS N N 86 120.147 120.147 118.734 1.413 19789 1458 1 6 . 1 1 86 86 LYS H H 86 7.779 7.779 8.055 -0.276 19789 1459 1 7 . 1 1 3 3 ASP N N 3 122.928 122.928 120.340 2.588 19789 1460 1 7 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.214 0.252 19789 1461 1 7 . 1 1 3 3 ASP H H 3 8.538 8.538 8.488 0.050 19789 1462 1 7 . 1 1 4 4 ILE N N 4 119.305 119.305 119.551 -0.246 19789 1463 1 7 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.829 0.082 19789 1464 1 7 . 1 1 4 4 ILE CA C 4 63.825 63.825 63.034 0.791 19789 1465 1 7 . 1 1 4 4 ILE CB C 4 37.641 37.641 38.142 -0.501 19789 1466 1 7 . 1 1 4 4 ILE H H 4 8.236 8.236 7.882 0.354 19789 1467 1 7 . 1 1 5 5 TYR N N 5 120.903 120.903 116.654 4.249 19789 1468 1 7 . 1 1 5 5 TYR H H 5 7.618 7.618 6.654 0.964 19789 1469 1 7 . 1 1 6 6 LYS N N 6 120.946 120.946 119.660 1.286 19789 1470 1 7 . 1 1 6 6 LYS H H 6 7.894 7.894 8.202 -0.308 19789 1471 1 7 . 1 1 7 7 ALA N N 7 120.284 120.284 120.707 -0.423 19789 1472 1 7 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.276 -0.273 19789 1473 1 7 . 1 1 7 7 ALA H H 7 7.934 7.934 7.454 0.480 19789 1474 1 7 . 1 1 8 8 ALA N N 8 119.988 119.988 121.823 -1.835 19789 1475 1 7 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.474 -0.074 19789 1476 1 7 . 1 1 8 8 ALA H H 8 7.501 7.501 7.659 -0.158 19789 1477 1 7 . 1 1 9 9 VAL N N 9 119.175 119.175 117.095 2.080 19789 1478 1 7 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.640 -0.080 19789 1479 1 7 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.537 0.839 19789 1480 1 7 . 1 1 9 9 VAL CB C 9 31.756 31.756 30.988 0.768 19789 1481 1 7 . 1 1 9 9 VAL H H 9 8.077 8.077 7.797 0.280 19789 1482 1 7 . 1 1 10 10 GLU N N 10 118.387 118.387 119.044 -0.657 19789 1483 1 7 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.118 -0.001 19789 1484 1 7 . 1 1 10 10 GLU H H 10 7.802 7.802 7.700 0.102 19789 1485 1 7 . 1 1 11 11 GLN N N 11 114.922 114.922 117.853 -2.931 19789 1486 1 7 . 1 1 11 11 GLN H H 11 7.377 7.377 7.588 -0.211 19789 1487 1 7 . 1 1 12 12 LEU N N 12 120.676 120.676 116.130 4.546 19789 1488 1 7 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.796 -0.277 19789 1489 1 7 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.752 1.451 19789 1490 1 7 . 1 1 12 12 LEU CB C 12 43.094 43.094 43.750 -0.656 19789 1491 1 7 . 1 1 12 12 LEU H H 12 7.388 7.388 7.280 0.108 19789 1492 1 7 . 1 1 13 13 THR N N 13 113.723 113.723 117.083 -3.360 19789 1493 1 7 . 1 1 13 13 THR HA H 13 4.438 4.438 4.569 -0.131 19789 1494 1 7 . 1 1 13 13 THR CA C 13 60.944 60.944 60.484 0.459 19789 1495 1 7 . 1 1 13 13 THR H H 13 8.875 8.875 8.129 0.746 19789 1496 1 7 . 1 1 14 14 GLU N N 14 121.739 121.739 122.960 -1.221 19789 1497 1 7 . 1 1 14 14 GLU H H 14 9.003 9.003 8.969 0.034 19789 1498 1 7 . 1 1 15 15 GLU N N 15 117.808 117.808 118.077 -0.269 19789 1499 1 7 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.034 0.044 19789 1500 1 7 . 1 1 15 15 GLU H H 15 8.538 8.538 8.533 0.005 19789 1501 1 7 . 1 1 16 16 GLN N N 16 119.080 119.080 117.780 1.300 19789 1502 1 7 . 1 1 16 16 GLN HA H 16 3.907 3.907 3.880 0.027 19789 1503 1 7 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.539 1.483 19789 1504 1 7 . 1 1 16 16 GLN H H 16 7.875 7.875 7.812 0.063 19789 1505 1 7 . 1 1 17 17 LYS N N 17 118.934 118.934 120.590 -1.656 19789 1506 1 7 . 1 1 17 17 LYS H H 17 8.650 8.650 7.858 0.792 19789 1507 1 7 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.373 0.184 19789 1508 1 7 . 1 1 18 18 ASN CA C 18 56.041 56.041 55.943 0.098 19789 1509 1 7 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.351 -0.503 19789 1510 1 7 . 1 1 19 19 GLU N N 19 123.449 123.449 119.120 4.329 19789 1511 1 7 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.072 0.110 19789 1512 1 7 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.829 1.328 19789 1513 1 7 . 1 1 19 19 GLU CB C 19 29.385 29.385 29.653 -0.268 19789 1514 1 7 . 1 1 19 19 GLU H H 19 8.131 8.131 7.994 0.137 19789 1515 1 7 . 1 1 20 20 PHE N N 20 117.873 117.873 118.966 -1.093 19789 1516 1 7 . 1 1 20 20 PHE H H 20 8.645 8.645 7.312 1.333 19789 1517 1 7 . 1 1 21 21 LYS N N 21 122.555 122.555 119.642 2.913 19789 1518 1 7 . 1 1 21 21 LYS H H 21 8.781 8.781 8.858 -0.077 19789 1519 1 7 . 1 1 22 22 ALA N N 22 121.657 121.657 121.562 0.095 19789 1520 1 7 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.180 -0.496 19789 1521 1 7 . 1 1 22 22 ALA H H 22 7.844 7.844 7.571 0.273 19789 1522 1 7 . 1 1 23 23 ALA N N 23 119.044 119.044 121.854 -2.810 19789 1523 1 7 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.076 0.363 19789 1524 1 7 . 1 1 23 23 ALA H H 23 8.141 8.141 7.648 0.493 19789 1525 1 7 . 1 1 24 24 PHE N N 24 121.051 121.051 117.676 3.375 19789 1526 1 7 . 1 1 24 24 PHE H H 24 8.942 8.942 8.288 0.654 19789 1527 1 7 . 1 1 25 25 ASP N N 25 116.425 116.425 118.911 -2.486 19789 1528 1 7 . 1 1 25 25 ASP H H 25 8.546 8.546 7.665 0.881 19789 1529 1 7 . 1 1 26 26 ILE N N 26 119.584 119.584 120.992 -1.408 19789 1530 1 7 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.733 -0.000 19789 1531 1 7 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.060 -0.199 19789 1532 1 7 . 1 1 26 26 ILE H H 26 7.314 7.314 7.635 -0.321 19789 1533 1 7 . 1 1 27 27 PHE N N 27 120.837 120.837 118.370 2.467 19789 1534 1 7 . 1 1 27 27 PHE H H 27 8.103 8.103 8.813 -0.710 19789 1535 1 7 . 1 1 28 28 VAL N N 28 107.855 107.855 118.076 -10.221 19789 1536 1 7 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.085 -0.086 19789 1537 1 7 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.624 1.130 19789 1538 1 7 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.821 -0.312 19789 1539 1 7 . 1 1 28 28 VAL H H 28 7.555 7.555 7.330 0.225 19789 1540 1 7 . 1 1 29 29 LEU N N 29 125.187 125.187 124.415 0.772 19789 1541 1 7 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.754 0.649 19789 1542 1 7 . 1 1 29 29 LEU H H 29 7.229 7.229 7.199 0.030 19789 1543 1 7 . 1 1 30 30 GLY N N 30 111.816 111.816 112.127 -0.311 19789 1544 1 7 . 1 1 30 30 GLY H H 30 8.799 8.799 8.011 0.788 19789 1545 1 7 . 1 1 31 31 ALA N N 31 124.151 124.151 122.143 2.008 19789 1546 1 7 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.493 0.280 19789 1547 1 7 . 1 1 31 31 ALA H H 31 7.946 7.946 7.383 0.563 19789 1548 1 7 . 1 1 32 32 GLU N N 32 124.621 124.621 119.061 5.560 19789 1549 1 7 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.211 -0.126 19789 1550 1 7 . 1 1 32 32 GLU H H 32 9.102 9.102 8.564 0.538 19789 1551 1 7 . 1 1 33 33 ASP N N 33 115.935 115.935 117.709 -1.774 19789 1552 1 7 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.701 0.033 19789 1553 1 7 . 1 1 33 33 ASP H H 33 8.199 8.199 8.392 -0.193 19789 1554 1 7 . 1 1 34 34 GLY N N 34 105.713 105.713 107.325 -1.612 19789 1555 1 7 . 1 1 34 34 GLY H H 34 7.653 7.653 8.163 -0.510 19789 1556 1 7 . 1 1 35 35 CYS N N 35 113.447 113.447 117.233 -3.786 19789 1557 1 7 . 1 1 35 35 CYS H H 35 7.621 7.621 7.793 -0.172 19789 1558 1 7 . 1 1 36 36 ILE N N 36 119.384 119.384 118.169 1.215 19789 1559 1 7 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.347 -0.481 19789 1560 1 7 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.772 -2.308 19789 1561 1 7 . 1 1 36 36 ILE H H 36 8.793 8.793 8.445 0.348 19789 1562 1 7 . 1 1 37 37 SER N N 37 125.951 125.951 117.546 8.405 19789 1563 1 7 . 1 1 37 37 SER H H 37 9.421 9.421 8.738 0.683 19789 1564 1 7 . 1 1 38 38 THR N N 38 112.286 112.286 113.637 -1.351 19789 1565 1 7 . 1 1 38 38 THR HA H 38 3.726 3.726 3.700 0.026 19789 1566 1 7 . 1 1 38 38 THR CA C 38 66.708 66.708 64.680 2.028 19789 1567 1 7 . 1 1 38 38 THR H H 38 8.816 8.816 7.962 0.854 19789 1568 1 7 . 1 1 39 39 LYS N N 39 122.672 122.672 121.688 0.984 19789 1569 1 7 . 1 1 39 39 LYS H H 39 8.016 8.016 8.299 -0.283 19789 1570 1 7 . 1 1 40 40 GLU N N 40 119.098 119.098 116.893 2.205 19789 1571 1 7 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.180 0.004 19789 1572 1 7 . 1 1 40 40 GLU H H 40 7.705 7.705 8.416 -0.711 19789 1573 1 7 . 1 1 41 41 LEU N N 41 119.205 119.205 121.022 -1.817 19789 1574 1 7 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.290 0.820 19789 1575 1 7 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.229 0.459 19789 1576 1 7 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.393 1.117 19789 1577 1 7 . 1 1 41 41 LEU H H 41 8.356 8.356 7.923 0.433 19789 1578 1 7 . 1 1 42 42 GLY N N 42 105.741 105.741 105.543 0.198 19789 1579 1 7 . 1 1 42 42 GLY H H 42 8.422 8.422 8.363 0.059 19789 1580 1 7 . 1 1 43 43 LYS N N 43 120.666 120.666 120.940 -0.274 19789 1581 1 7 . 1 1 43 43 LYS H H 43 7.265 7.265 7.677 -0.412 19789 1582 1 7 . 1 1 44 44 VAL N N 44 119.328 119.328 116.266 3.062 19789 1583 1 7 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.785 -0.329 19789 1584 1 7 . 1 1 44 44 VAL CA C 44 66.387 66.387 66.176 0.211 19789 1585 1 7 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.431 0.205 19789 1586 1 7 . 1 1 44 44 VAL H H 44 7.488 7.488 8.052 -0.564 19789 1587 1 7 . 1 1 45 45 MET N N 45 116.122 116.122 120.024 -3.902 19789 1588 1 7 . 1 1 45 45 MET HA H 45 4.171 4.171 4.039 0.132 19789 1589 1 7 . 1 1 45 45 MET H H 45 8.357 8.357 7.338 1.019 19789 1590 1 7 . 1 1 46 46 ARG N N 46 118.799 118.799 118.850 -0.051 19789 1591 1 7 . 1 1 46 46 ARG H H 46 8.115 8.115 7.789 0.326 19789 1592 1 7 . 1 1 47 47 MET N N 47 122.183 122.183 116.677 5.506 19789 1593 1 7 . 1 1 47 47 MET HA H 47 4.233 4.233 4.283 -0.050 19789 1594 1 7 . 1 1 47 47 MET H H 47 7.866 7.866 7.646 0.220 19789 1595 1 7 . 1 1 48 48 LEU N N 48 117.213 117.213 118.695 -1.482 19789 1596 1 7 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.220 0.137 19789 1597 1 7 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.572 -0.894 19789 1598 1 7 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.789 -1.162 19789 1599 1 7 . 1 1 48 48 LEU H H 48 7.499 7.499 7.740 -0.241 19789 1600 1 7 . 1 1 49 49 GLY N N 49 107.154 107.154 105.596 1.558 19789 1601 1 7 . 1 1 49 49 GLY H H 49 7.841 7.841 7.806 0.035 19789 1602 1 7 . 1 1 50 50 GLN N N 50 118.411 118.411 119.252 -0.841 19789 1603 1 7 . 1 1 50 50 GLN H H 50 8.014 8.014 7.838 0.176 19789 1604 1 7 . 1 1 51 51 ASN N N 51 116.615 116.615 116.667 -0.052 19789 1605 1 7 . 1 1 51 51 ASN H H 51 8.716 8.716 8.725 -0.009 19789 1606 1 7 . 1 1 53 53 THR N N 53 113.821 113.821 112.495 1.326 19789 1607 1 7 . 1 1 53 53 THR H H 53 8.801 8.801 8.234 0.567 19789 1608 1 7 . 1 1 55 55 GLU N N 55 117.313 117.313 118.334 -1.021 19789 1609 1 7 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.244 -0.222 19789 1610 1 7 . 1 1 55 55 GLU H H 55 8.751 8.751 8.549 0.202 19789 1611 1 7 . 1 1 56 56 GLU N N 56 121.618 121.618 117.972 3.646 19789 1612 1 7 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.313 -0.315 19789 1613 1 7 . 1 1 56 56 GLU H H 56 7.803 7.803 7.545 0.258 19789 1614 1 7 . 1 1 57 57 LEU N N 57 119.131 119.131 122.437 -3.306 19789 1615 1 7 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.906 0.142 19789 1616 1 7 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.282 -0.435 19789 1617 1 7 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.288 1.355 19789 1618 1 7 . 1 1 57 57 LEU H H 57 8.179 8.179 8.635 -0.456 19789 1619 1 7 . 1 1 58 58 GLN N N 58 117.777 117.777 117.515 0.262 19789 1620 1 7 . 1 1 58 58 GLN H H 58 7.945 7.945 8.426 -0.481 19789 1621 1 7 . 1 1 59 59 GLU N N 59 119.087 119.087 120.369 -1.282 19789 1622 1 7 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.977 0.070 19789 1623 1 7 . 1 1 59 59 GLU H H 59 7.887 7.887 8.674 -0.787 19789 1624 1 7 . 1 1 60 60 MET N N 60 117.618 117.618 113.658 3.960 19789 1625 1 7 . 1 1 60 60 MET HA H 60 3.921 3.921 4.624 -0.703 19789 1626 1 7 . 1 1 60 60 MET H H 60 7.702 7.702 8.499 -0.797 19789 1627 1 7 . 1 1 61 61 ILE N N 61 118.070 118.070 114.078 3.992 19789 1628 1 7 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.277 -0.930 19789 1629 1 7 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.569 2.288 19789 1630 1 7 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.741 -2.327 19789 1631 1 7 . 1 1 61 61 ILE H H 61 7.358 7.358 7.815 -0.457 19789 1632 1 7 . 1 1 62 62 ASP N N 62 119.384 119.384 122.075 -2.691 19789 1633 1 7 . 1 1 62 62 ASP H H 62 8.683 8.683 8.896 -0.213 19789 1634 1 7 . 1 1 63 63 GLU N N 63 115.866 115.866 118.341 -2.475 19789 1635 1 7 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.055 -0.025 19789 1636 1 7 . 1 1 63 63 GLU H H 63 7.612 7.612 8.338 -0.726 19789 1637 1 7 . 1 1 64 64 VAL N N 64 107.501 107.501 110.662 -3.161 19789 1638 1 7 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.310 0.235 19789 1639 1 7 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.184 0.867 19789 1640 1 7 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.138 1.244 19789 1641 1 7 . 1 1 64 64 VAL H H 64 7.239 7.239 7.246 -0.007 19789 1642 1 7 . 1 1 65 65 ASP N N 65 121.745 121.745 121.473 0.272 19789 1643 1 7 . 1 1 65 65 ASP H H 65 7.584 7.584 7.731 -0.147 19789 1644 1 7 . 1 1 66 66 GLU N N 66 128.227 128.227 119.368 8.859 19789 1645 1 7 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.139 0.047 19789 1646 1 7 . 1 1 66 66 GLU H H 66 8.633 8.633 8.594 0.039 19789 1647 1 7 . 1 1 67 67 ASP N N 67 114.509 114.509 117.654 -3.145 19789 1648 1 7 . 1 1 67 67 ASP H H 67 7.967 7.967 7.781 0.186 19789 1649 1 7 . 1 1 68 68 GLY N N 68 108.897 108.897 110.305 -1.408 19789 1650 1 7 . 1 1 68 68 GLY H H 68 7.765 7.765 8.277 -0.512 19789 1651 1 7 . 1 1 69 69 SER N N 69 116.480 116.480 116.225 0.255 19789 1652 1 7 . 1 1 69 69 SER H H 69 8.452 8.452 8.165 0.287 19789 1653 1 7 . 1 1 70 70 GLY N N 70 116.525 116.525 109.606 6.919 19789 1654 1 7 . 1 1 70 70 GLY H H 70 10.847 10.847 7.864 2.983 19789 1655 1 7 . 1 1 71 71 THR N N 71 107.688 107.688 116.648 -8.960 19789 1656 1 7 . 1 1 71 71 THR HA H 71 4.914 4.914 4.840 0.074 19789 1657 1 7 . 1 1 71 71 THR CA C 71 58.346 58.346 61.340 -2.994 19789 1658 1 7 . 1 1 71 71 THR CB C 71 73.760 73.760 70.324 3.436 19789 1659 1 7 . 1 1 71 71 THR H H 71 7.664 7.664 7.898 -0.234 19789 1660 1 7 . 1 1 72 72 VAL N N 72 126.813 126.813 122.961 3.852 19789 1661 1 7 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.780 0.305 19789 1662 1 7 . 1 1 72 72 VAL CB C 72 33.580 33.580 33.970 -0.390 19789 1663 1 7 . 1 1 72 72 VAL H H 72 9.792 9.792 8.069 1.723 19789 1664 1 7 . 1 1 73 73 ASP N N 73 128.665 128.665 119.063 9.602 19789 1665 1 7 . 1 1 73 73 ASP H H 73 8.746 8.746 8.033 0.713 19789 1666 1 7 . 1 1 74 74 PHE N N 74 118.267 118.267 118.961 -0.694 19789 1667 1 7 . 1 1 74 74 PHE H H 74 8.577 8.577 9.260 -0.683 19789 1668 1 7 . 1 1 75 75 ASP N N 75 117.261 117.261 119.487 -2.226 19789 1669 1 7 . 1 1 75 75 ASP H H 75 7.654 7.654 7.633 0.021 19789 1670 1 7 . 1 1 76 76 GLU N N 76 120.396 120.396 120.622 -0.226 19789 1671 1 7 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.153 -0.126 19789 1672 1 7 . 1 1 76 76 GLU H H 76 8.169 8.169 7.360 0.809 19789 1673 1 7 . 1 1 77 77 PHE N N 77 122.823 122.823 121.307 1.516 19789 1674 1 7 . 1 1 77 77 PHE H H 77 8.984 8.984 9.062 -0.078 19789 1675 1 7 . 1 1 78 78 LEU N N 78 118.595 118.595 118.280 0.315 19789 1676 1 7 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.421 -0.134 19789 1677 1 7 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.722 0.393 19789 1678 1 7 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.510 -0.157 19789 1679 1 7 . 1 1 78 78 LEU H H 78 7.950 7.950 7.548 0.402 19789 1680 1 7 . 1 1 79 79 VAL N N 79 118.101 118.101 118.172 -0.071 19789 1681 1 7 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.475 -0.227 19789 1682 1 7 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.435 0.465 19789 1683 1 7 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.357 -0.458 19789 1684 1 7 . 1 1 79 79 VAL H H 79 6.947 6.947 7.371 -0.424 19789 1685 1 7 . 1 1 80 80 MET N N 80 119.853 119.853 115.924 3.929 19789 1686 1 7 . 1 1 80 80 MET H H 80 7.952 7.952 7.379 0.573 19789 1687 1 7 . 1 1 81 81 MET N N 81 117.448 117.448 115.727 1.721 19789 1688 1 7 . 1 1 81 81 MET H H 81 8.110 8.110 7.908 0.202 19789 1689 1 7 . 1 1 82 82 VAL N N 82 117.627 117.627 119.173 -1.546 19789 1690 1 7 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.507 0.455 19789 1691 1 7 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.012 0.055 19789 1692 1 7 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.481 -0.339 19789 1693 1 7 . 1 1 82 82 VAL H H 82 8.183 8.183 7.307 0.876 19789 1694 1 7 . 1 1 83 83 ARG N N 83 120.495 120.495 119.176 1.319 19789 1695 1 7 . 1 1 83 83 ARG H H 83 8.169 8.169 8.368 -0.199 19789 1696 1 7 . 1 1 84 84 CYS N N 84 113.519 113.519 117.020 -3.501 19789 1697 1 7 . 1 1 84 84 CYS H H 84 7.507 7.507 7.644 -0.137 19789 1698 1 7 . 1 1 85 85 MET N N 85 120.618 120.618 121.271 -0.653 19789 1699 1 7 . 1 1 85 85 MET H H 85 7.661 7.661 7.508 0.153 19789 1700 1 7 . 1 1 86 86 LYS N N 86 120.147 120.147 118.834 1.313 19789 1701 1 7 . 1 1 86 86 LYS H H 86 7.779 7.779 7.971 -0.192 19789 1702 1 8 . 1 1 3 3 ASP N N 3 122.928 122.928 120.290 2.638 19789 1703 1 8 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.299 0.167 19789 1704 1 8 . 1 1 3 3 ASP H H 3 8.538 8.538 8.348 0.190 19789 1705 1 8 . 1 1 4 4 ILE N N 4 119.305 119.305 119.959 -0.654 19789 1706 1 8 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.884 0.027 19789 1707 1 8 . 1 1 4 4 ILE CA C 4 63.825 63.825 61.108 2.717 19789 1708 1 8 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.071 0.570 19789 1709 1 8 . 1 1 4 4 ILE H H 4 8.236 8.236 8.434 -0.198 19789 1710 1 8 . 1 1 5 5 TYR N N 5 120.903 120.903 117.467 3.436 19789 1711 1 8 . 1 1 5 5 TYR H H 5 7.618 7.618 6.943 0.675 19789 1712 1 8 . 1 1 6 6 LYS N N 6 120.946 120.946 121.208 -0.262 19789 1713 1 8 . 1 1 6 6 LYS H H 6 7.894 7.894 7.681 0.213 19789 1714 1 8 . 1 1 7 7 ALA N N 7 120.284 120.284 120.302 -0.018 19789 1715 1 8 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.262 -0.259 19789 1716 1 8 . 1 1 7 7 ALA H H 7 7.934 7.934 7.328 0.606 19789 1717 1 8 . 1 1 8 8 ALA N N 8 119.988 119.988 121.839 -1.851 19789 1718 1 8 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.445 -0.045 19789 1719 1 8 . 1 1 8 8 ALA H H 8 7.501 7.501 7.663 -0.162 19789 1720 1 8 . 1 1 9 9 VAL N N 9 119.175 119.175 116.818 2.357 19789 1721 1 8 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.543 0.017 19789 1722 1 8 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.555 0.821 19789 1723 1 8 . 1 1 9 9 VAL CB C 9 31.756 31.756 30.921 0.835 19789 1724 1 8 . 1 1 9 9 VAL H H 9 8.077 8.077 7.852 0.225 19789 1725 1 8 . 1 1 10 10 GLU N N 10 118.387 118.387 118.085 0.302 19789 1726 1 8 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.064 0.053 19789 1727 1 8 . 1 1 10 10 GLU H H 10 7.802 7.802 7.647 0.155 19789 1728 1 8 . 1 1 11 11 GLN N N 11 114.922 114.922 117.943 -3.021 19789 1729 1 8 . 1 1 11 11 GLN H H 11 7.377 7.377 7.516 -0.139 19789 1730 1 8 . 1 1 12 12 LEU N N 12 120.676 120.676 120.875 -0.199 19789 1731 1 8 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.498 0.021 19789 1732 1 8 . 1 1 12 12 LEU CA C 12 55.203 55.203 54.154 1.049 19789 1733 1 8 . 1 1 12 12 LEU CB C 12 43.094 43.094 43.771 -0.677 19789 1734 1 8 . 1 1 12 12 LEU H H 12 7.388 7.388 7.230 0.158 19789 1735 1 8 . 1 1 13 13 THR N N 13 113.723 113.723 113.037 0.686 19789 1736 1 8 . 1 1 13 13 THR HA H 13 4.438 4.438 4.504 -0.066 19789 1737 1 8 . 1 1 13 13 THR CA C 13 60.944 60.944 60.254 0.690 19789 1738 1 8 . 1 1 13 13 THR H H 13 8.875 8.875 8.187 0.688 19789 1739 1 8 . 1 1 14 14 GLU N N 14 121.739 121.739 122.174 -0.435 19789 1740 1 8 . 1 1 14 14 GLU H H 14 9.003 9.003 9.009 -0.006 19789 1741 1 8 . 1 1 15 15 GLU N N 15 117.808 117.808 118.083 -0.275 19789 1742 1 8 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.127 -0.049 19789 1743 1 8 . 1 1 15 15 GLU H H 15 8.538 8.538 7.762 0.776 19789 1744 1 8 . 1 1 16 16 GLN N N 16 119.080 119.080 118.257 0.823 19789 1745 1 8 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.365 -0.458 19789 1746 1 8 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.217 1.805 19789 1747 1 8 . 1 1 16 16 GLN H H 16 7.875 7.875 8.025 -0.150 19789 1748 1 8 . 1 1 17 17 LYS N N 17 118.934 118.934 121.474 -2.540 19789 1749 1 8 . 1 1 17 17 LYS H H 17 8.650 8.650 8.063 0.587 19789 1750 1 8 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.462 0.095 19789 1751 1 8 . 1 1 18 18 ASN CA C 18 56.041 56.041 55.740 0.301 19789 1752 1 8 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.072 -0.224 19789 1753 1 8 . 1 1 19 19 GLU N N 19 123.449 123.449 119.294 4.155 19789 1754 1 8 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.151 0.031 19789 1755 1 8 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.728 1.429 19789 1756 1 8 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.041 -0.656 19789 1757 1 8 . 1 1 19 19 GLU H H 19 8.131 8.131 8.357 -0.226 19789 1758 1 8 . 1 1 20 20 PHE N N 20 117.873 117.873 120.714 -2.841 19789 1759 1 8 . 1 1 20 20 PHE H H 20 8.645 8.645 8.120 0.525 19789 1760 1 8 . 1 1 21 21 LYS N N 21 122.555 122.555 118.609 3.946 19789 1761 1 8 . 1 1 21 21 LYS H H 21 8.781 8.781 8.260 0.521 19789 1762 1 8 . 1 1 22 22 ALA N N 22 121.657 121.657 121.232 0.425 19789 1763 1 8 . 1 1 22 22 ALA CB C 22 17.683 17.683 17.796 -0.112 19789 1764 1 8 . 1 1 22 22 ALA H H 22 7.844 7.844 7.408 0.436 19789 1765 1 8 . 1 1 23 23 ALA N N 23 119.044 119.044 121.904 -2.860 19789 1766 1 8 . 1 1 23 23 ALA CB C 23 18.439 18.439 17.867 0.572 19789 1767 1 8 . 1 1 23 23 ALA H H 23 8.141 8.141 7.631 0.510 19789 1768 1 8 . 1 1 24 24 PHE N N 24 121.051 121.051 117.069 3.982 19789 1769 1 8 . 1 1 24 24 PHE H H 24 8.942 8.942 7.667 1.275 19789 1770 1 8 . 1 1 25 25 ASP N N 25 116.425 116.425 118.859 -2.434 19789 1771 1 8 . 1 1 25 25 ASP H H 25 8.546 8.546 7.533 1.013 19789 1772 1 8 . 1 1 26 26 ILE N N 26 119.584 119.584 120.831 -1.247 19789 1773 1 8 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.749 -0.016 19789 1774 1 8 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.050 -0.189 19789 1775 1 8 . 1 1 26 26 ILE H H 26 7.314 7.314 7.611 -0.297 19789 1776 1 8 . 1 1 27 27 PHE N N 27 120.837 120.837 118.168 2.669 19789 1777 1 8 . 1 1 27 27 PHE H H 27 8.103 8.103 8.682 -0.579 19789 1778 1 8 . 1 1 28 28 VAL N N 28 107.855 107.855 112.844 -4.989 19789 1779 1 8 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.287 -0.288 19789 1780 1 8 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.366 1.388 19789 1781 1 8 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.840 -0.331 19789 1782 1 8 . 1 1 28 28 VAL H H 28 7.555 7.555 7.290 0.265 19789 1783 1 8 . 1 1 29 29 LEU N N 29 125.187 125.187 124.849 0.338 19789 1784 1 8 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.167 1.236 19789 1785 1 8 . 1 1 29 29 LEU H H 29 7.229 7.229 7.289 -0.060 19789 1786 1 8 . 1 1 30 30 GLY N N 30 111.816 111.816 110.950 0.866 19789 1787 1 8 . 1 1 30 30 GLY H H 30 8.799 8.799 8.175 0.624 19789 1788 1 8 . 1 1 31 31 ALA N N 31 124.151 124.151 121.465 2.686 19789 1789 1 8 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.922 -0.149 19789 1790 1 8 . 1 1 31 31 ALA H H 31 7.946 7.946 7.558 0.388 19789 1791 1 8 . 1 1 32 32 GLU N N 32 124.621 124.621 120.152 4.469 19789 1792 1 8 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.293 -0.208 19789 1793 1 8 . 1 1 32 32 GLU H H 32 9.102 9.102 8.483 0.619 19789 1794 1 8 . 1 1 33 33 ASP N N 33 115.935 115.935 117.800 -1.865 19789 1795 1 8 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.734 0.000 19789 1796 1 8 . 1 1 33 33 ASP H H 33 8.199 8.199 8.380 -0.181 19789 1797 1 8 . 1 1 34 34 GLY N N 34 105.713 105.713 108.713 -3.000 19789 1798 1 8 . 1 1 34 34 GLY H H 34 7.653 7.653 8.305 -0.652 19789 1799 1 8 . 1 1 35 35 CYS N N 35 113.447 113.447 117.152 -3.705 19789 1800 1 8 . 1 1 35 35 CYS H H 35 7.621 7.621 7.569 0.052 19789 1801 1 8 . 1 1 36 36 ILE N N 36 119.384 119.384 115.710 3.674 19789 1802 1 8 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.399 -0.533 19789 1803 1 8 . 1 1 36 36 ILE CB C 36 39.464 39.464 40.131 -0.667 19789 1804 1 8 . 1 1 36 36 ILE H H 36 8.793 8.793 7.979 0.814 19789 1805 1 8 . 1 1 37 37 SER N N 37 125.951 125.951 117.818 8.133 19789 1806 1 8 . 1 1 37 37 SER H H 37 9.421 9.421 8.732 0.689 19789 1807 1 8 . 1 1 38 38 THR N N 38 112.286 112.286 113.493 -1.207 19789 1808 1 8 . 1 1 38 38 THR HA H 38 3.726 3.726 3.686 0.040 19789 1809 1 8 . 1 1 38 38 THR CA C 38 66.708 66.708 65.082 1.625 19789 1810 1 8 . 1 1 38 38 THR H H 38 8.816 8.816 8.132 0.684 19789 1811 1 8 . 1 1 39 39 LYS N N 39 122.672 122.672 120.799 1.873 19789 1812 1 8 . 1 1 39 39 LYS H H 39 8.016 8.016 8.515 -0.499 19789 1813 1 8 . 1 1 40 40 GLU N N 40 119.098 119.098 116.749 2.349 19789 1814 1 8 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.161 0.023 19789 1815 1 8 . 1 1 40 40 GLU H H 40 7.705 7.705 8.239 -0.534 19789 1816 1 8 . 1 1 41 41 LEU N N 41 119.205 119.205 120.188 -0.983 19789 1817 1 8 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.469 0.641 19789 1818 1 8 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.664 0.024 19789 1819 1 8 . 1 1 41 41 LEU CB C 41 42.510 42.510 40.575 1.935 19789 1820 1 8 . 1 1 41 41 LEU H H 41 8.356 8.356 7.873 0.483 19789 1821 1 8 . 1 1 42 42 GLY N N 42 105.741 105.741 105.942 -0.201 19789 1822 1 8 . 1 1 42 42 GLY H H 42 8.422 8.422 8.293 0.129 19789 1823 1 8 . 1 1 43 43 LYS N N 43 120.666 120.666 121.166 -0.500 19789 1824 1 8 . 1 1 43 43 LYS H H 43 7.265 7.265 7.803 -0.538 19789 1825 1 8 . 1 1 44 44 VAL N N 44 119.328 119.328 115.447 3.881 19789 1826 1 8 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.907 -0.451 19789 1827 1 8 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.052 1.335 19789 1828 1 8 . 1 1 44 44 VAL CB C 44 31.636 31.636 30.976 0.660 19789 1829 1 8 . 1 1 44 44 VAL H H 44 7.488 7.488 7.968 -0.480 19789 1830 1 8 . 1 1 45 45 MET N N 45 116.122 116.122 120.660 -4.538 19789 1831 1 8 . 1 1 45 45 MET HA H 45 4.171 4.171 4.047 0.124 19789 1832 1 8 . 1 1 45 45 MET H H 45 8.357 8.357 8.141 0.216 19789 1833 1 8 . 1 1 46 46 ARG N N 46 118.799 118.799 119.065 -0.266 19789 1834 1 8 . 1 1 46 46 ARG H H 46 8.115 8.115 7.727 0.388 19789 1835 1 8 . 1 1 47 47 MET N N 47 122.183 122.183 116.285 5.898 19789 1836 1 8 . 1 1 47 47 MET HA H 47 4.233 4.233 4.291 -0.058 19789 1837 1 8 . 1 1 47 47 MET H H 47 7.866 7.866 7.603 0.263 19789 1838 1 8 . 1 1 48 48 LEU N N 48 117.213 117.213 118.722 -1.509 19789 1839 1 8 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.225 0.132 19789 1840 1 8 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.475 -0.797 19789 1841 1 8 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.732 -1.105 19789 1842 1 8 . 1 1 48 48 LEU H H 48 7.499 7.499 7.715 -0.216 19789 1843 1 8 . 1 1 49 49 GLY N N 49 107.154 107.154 105.848 1.306 19789 1844 1 8 . 1 1 49 49 GLY H H 49 7.841 7.841 7.763 0.078 19789 1845 1 8 . 1 1 50 50 GLN N N 50 118.411 118.411 118.719 -0.308 19789 1846 1 8 . 1 1 50 50 GLN H H 50 8.014 8.014 8.064 -0.050 19789 1847 1 8 . 1 1 51 51 ASN N N 51 116.615 116.615 116.973 -0.358 19789 1848 1 8 . 1 1 51 51 ASN H H 51 8.716 8.716 8.435 0.281 19789 1849 1 8 . 1 1 53 53 THR N N 53 113.821 113.821 112.113 1.708 19789 1850 1 8 . 1 1 53 53 THR H H 53 8.801 8.801 8.022 0.779 19789 1851 1 8 . 1 1 55 55 GLU N N 55 117.313 117.313 118.701 -1.388 19789 1852 1 8 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.225 -0.203 19789 1853 1 8 . 1 1 55 55 GLU H H 55 8.751 8.751 8.543 0.208 19789 1854 1 8 . 1 1 56 56 GLU N N 56 121.618 121.618 120.029 1.589 19789 1855 1 8 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.232 -0.234 19789 1856 1 8 . 1 1 56 56 GLU H H 56 7.803 7.803 7.576 0.227 19789 1857 1 8 . 1 1 57 57 LEU N N 57 119.131 119.131 121.515 -2.384 19789 1858 1 8 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.859 0.189 19789 1859 1 8 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.561 -0.714 19789 1860 1 8 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.326 1.317 19789 1861 1 8 . 1 1 57 57 LEU H H 57 8.179 8.179 8.686 -0.507 19789 1862 1 8 . 1 1 58 58 GLN N N 58 117.777 117.777 117.467 0.310 19789 1863 1 8 . 1 1 58 58 GLN H H 58 7.945 7.945 8.427 -0.482 19789 1864 1 8 . 1 1 59 59 GLU N N 59 119.087 119.087 120.439 -1.352 19789 1865 1 8 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.980 0.067 19789 1866 1 8 . 1 1 59 59 GLU H H 59 7.887 7.887 8.702 -0.815 19789 1867 1 8 . 1 1 60 60 MET N N 60 117.618 117.618 115.004 2.614 19789 1868 1 8 . 1 1 60 60 MET HA H 60 3.921 3.921 4.255 -0.334 19789 1869 1 8 . 1 1 60 60 MET H H 60 7.702 7.702 8.652 -0.950 19789 1870 1 8 . 1 1 61 61 ILE N N 61 118.070 118.070 117.467 0.603 19789 1871 1 8 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.210 -0.863 19789 1872 1 8 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.380 2.477 19789 1873 1 8 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.911 -2.497 19789 1874 1 8 . 1 1 61 61 ILE H H 61 7.358 7.358 7.697 -0.339 19789 1875 1 8 . 1 1 62 62 ASP N N 62 119.384 119.384 121.464 -2.080 19789 1876 1 8 . 1 1 62 62 ASP H H 62 8.683 8.683 8.949 -0.266 19789 1877 1 8 . 1 1 63 63 GLU N N 63 115.866 115.866 118.159 -2.293 19789 1878 1 8 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.251 -0.221 19789 1879 1 8 . 1 1 63 63 GLU H H 63 7.612 7.612 7.894 -0.282 19789 1880 1 8 . 1 1 64 64 VAL N N 64 107.501 107.501 112.374 -4.873 19789 1881 1 8 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.339 0.206 19789 1882 1 8 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.040 1.011 19789 1883 1 8 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.714 0.668 19789 1884 1 8 . 1 1 64 64 VAL H H 64 7.239 7.239 7.523 -0.284 19789 1885 1 8 . 1 1 65 65 ASP N N 65 121.745 121.745 122.464 -0.719 19789 1886 1 8 . 1 1 65 65 ASP H H 65 7.584 7.584 7.753 -0.169 19789 1887 1 8 . 1 1 66 66 GLU N N 66 128.227 128.227 122.936 5.291 19789 1888 1 8 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.328 -0.142 19789 1889 1 8 . 1 1 66 66 GLU H H 66 8.633 8.633 8.283 0.350 19789 1890 1 8 . 1 1 67 67 ASP N N 67 114.509 114.509 118.853 -4.344 19789 1891 1 8 . 1 1 67 67 ASP H H 67 7.967 7.967 8.367 -0.400 19789 1892 1 8 . 1 1 68 68 GLY N N 68 108.897 108.897 109.620 -0.723 19789 1893 1 8 . 1 1 68 68 GLY H H 68 7.765 7.765 8.496 -0.731 19789 1894 1 8 . 1 1 69 69 SER N N 69 116.480 116.480 116.525 -0.045 19789 1895 1 8 . 1 1 69 69 SER H H 69 8.452 8.452 9.458 -1.006 19789 1896 1 8 . 1 1 70 70 GLY N N 70 116.525 116.525 110.478 6.047 19789 1897 1 8 . 1 1 70 70 GLY H H 70 10.847 10.847 8.137 2.710 19789 1898 1 8 . 1 1 71 71 THR N N 71 107.688 107.688 114.758 -7.070 19789 1899 1 8 . 1 1 71 71 THR HA H 71 4.914 4.914 4.841 0.073 19789 1900 1 8 . 1 1 71 71 THR CA C 71 58.346 58.346 60.412 -2.066 19789 1901 1 8 . 1 1 71 71 THR CB C 71 73.760 73.760 71.905 1.855 19789 1902 1 8 . 1 1 71 71 THR H H 71 7.664 7.664 7.544 0.120 19789 1903 1 8 . 1 1 72 72 VAL N N 72 126.813 126.813 121.140 5.673 19789 1904 1 8 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.942 0.143 19789 1905 1 8 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.492 -0.911 19789 1906 1 8 . 1 1 72 72 VAL H H 72 9.792 9.792 7.781 2.011 19789 1907 1 8 . 1 1 73 73 ASP N N 73 128.665 128.665 124.615 4.050 19789 1908 1 8 . 1 1 73 73 ASP H H 73 8.746 8.746 8.083 0.663 19789 1909 1 8 . 1 1 74 74 PHE N N 74 118.267 118.267 117.912 0.355 19789 1910 1 8 . 1 1 74 74 PHE H H 74 8.577 8.577 9.180 -0.603 19789 1911 1 8 . 1 1 75 75 ASP N N 75 117.261 117.261 119.034 -1.773 19789 1912 1 8 . 1 1 75 75 ASP H H 75 7.654 7.654 7.571 0.083 19789 1913 1 8 . 1 1 76 76 GLU N N 76 120.396 120.396 120.869 -0.473 19789 1914 1 8 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.152 -0.125 19789 1915 1 8 . 1 1 76 76 GLU H H 76 8.169 8.169 7.789 0.380 19789 1916 1 8 . 1 1 77 77 PHE N N 77 122.823 122.823 121.004 1.819 19789 1917 1 8 . 1 1 77 77 PHE H H 77 8.984 8.984 9.053 -0.069 19789 1918 1 8 . 1 1 78 78 LEU N N 78 118.595 118.595 117.753 0.842 19789 1919 1 8 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.880 -0.593 19789 1920 1 8 . 1 1 78 78 LEU CA C 78 58.115 58.115 58.004 0.111 19789 1921 1 8 . 1 1 78 78 LEU CB C 78 41.353 41.353 40.176 1.177 19789 1922 1 8 . 1 1 78 78 LEU H H 78 7.950 7.950 7.716 0.234 19789 1923 1 8 . 1 1 79 79 VAL N N 79 118.101 118.101 118.233 -0.132 19789 1924 1 8 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.650 -0.402 19789 1925 1 8 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.397 0.503 19789 1926 1 8 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.114 -0.215 19789 1927 1 8 . 1 1 79 79 VAL H H 79 6.947 6.947 7.474 -0.527 19789 1928 1 8 . 1 1 80 80 MET N N 80 119.853 119.853 117.305 2.548 19789 1929 1 8 . 1 1 80 80 MET H H 80 7.952 7.952 8.098 -0.146 19789 1930 1 8 . 1 1 81 81 MET N N 81 117.448 117.448 116.225 1.223 19789 1931 1 8 . 1 1 81 81 MET H H 81 8.110 8.110 7.553 0.557 19789 1932 1 8 . 1 1 82 82 VAL N N 82 117.627 117.627 120.205 -2.578 19789 1933 1 8 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.635 0.327 19789 1934 1 8 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.154 -0.088 19789 1935 1 8 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.463 -0.321 19789 1936 1 8 . 1 1 82 82 VAL H H 82 8.183 8.183 7.563 0.620 19789 1937 1 8 . 1 1 83 83 ARG N N 83 120.495 120.495 120.243 0.252 19789 1938 1 8 . 1 1 83 83 ARG H H 83 8.169 8.169 8.263 -0.094 19789 1939 1 8 . 1 1 84 84 CYS N N 84 113.519 113.519 116.868 -3.349 19789 1940 1 8 . 1 1 84 84 CYS H H 84 7.507 7.507 7.716 -0.209 19789 1941 1 8 . 1 1 85 85 MET N N 85 120.618 120.618 120.970 -0.352 19789 1942 1 8 . 1 1 85 85 MET H H 85 7.661 7.661 7.581 0.080 19789 1943 1 8 . 1 1 86 86 LYS N N 86 120.147 120.147 118.064 2.083 19789 1944 1 8 . 1 1 86 86 LYS H H 86 7.779 7.779 8.024 -0.245 19789 1945 1 9 . 1 1 3 3 ASP N N 3 122.928 122.928 121.972 0.956 19789 1946 1 9 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.925 -0.459 19789 1947 1 9 . 1 1 3 3 ASP H H 3 8.538 8.538 8.564 -0.026 19789 1948 1 9 . 1 1 4 4 ILE N N 4 119.305 119.305 120.872 -1.567 19789 1949 1 9 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.789 0.122 19789 1950 1 9 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.289 1.536 19789 1951 1 9 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.898 -0.257 19789 1952 1 9 . 1 1 4 4 ILE H H 4 8.236 8.236 8.261 -0.025 19789 1953 1 9 . 1 1 5 5 TYR N N 5 120.903 120.903 118.995 1.908 19789 1954 1 9 . 1 1 5 5 TYR H H 5 7.618 7.618 7.453 0.165 19789 1955 1 9 . 1 1 6 6 LYS N N 6 120.946 120.946 120.631 0.315 19789 1956 1 9 . 1 1 6 6 LYS H H 6 7.894 7.894 8.647 -0.753 19789 1957 1 9 . 1 1 7 7 ALA N N 7 120.284 120.284 120.409 -0.125 19789 1958 1 9 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.295 -0.292 19789 1959 1 9 . 1 1 7 7 ALA H H 7 7.934 7.934 7.491 0.443 19789 1960 1 9 . 1 1 8 8 ALA N N 8 119.988 119.988 121.804 -1.816 19789 1961 1 9 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.444 -0.044 19789 1962 1 9 . 1 1 8 8 ALA H H 8 7.501 7.501 7.648 -0.147 19789 1963 1 9 . 1 1 9 9 VAL N N 9 119.175 119.175 116.619 2.556 19789 1964 1 9 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.501 0.059 19789 1965 1 9 . 1 1 9 9 VAL CA C 9 66.376 66.376 66.004 0.372 19789 1966 1 9 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.427 0.329 19789 1967 1 9 . 1 1 9 9 VAL H H 9 8.077 8.077 7.728 0.349 19789 1968 1 9 . 1 1 10 10 GLU N N 10 118.387 118.387 118.371 0.016 19789 1969 1 9 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.028 0.089 19789 1970 1 9 . 1 1 10 10 GLU H H 10 7.802 7.802 7.650 0.152 19789 1971 1 9 . 1 1 11 11 GLN N N 11 114.922 114.922 118.913 -3.991 19789 1972 1 9 . 1 1 11 11 GLN H H 11 7.377 7.377 7.482 -0.105 19789 1973 1 9 . 1 1 12 12 LEU N N 12 120.676 120.676 116.895 3.781 19789 1974 1 9 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.796 -0.277 19789 1975 1 9 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.507 1.696 19789 1976 1 9 . 1 1 12 12 LEU CB C 12 43.094 43.094 43.225 -0.131 19789 1977 1 9 . 1 1 12 12 LEU H H 12 7.388 7.388 7.239 0.149 19789 1978 1 9 . 1 1 13 13 THR N N 13 113.723 113.723 116.341 -2.618 19789 1979 1 9 . 1 1 13 13 THR HA H 13 4.438 4.438 4.536 -0.098 19789 1980 1 9 . 1 1 13 13 THR CA C 13 60.944 60.944 60.329 0.615 19789 1981 1 9 . 1 1 13 13 THR H H 13 8.875 8.875 8.147 0.728 19789 1982 1 9 . 1 1 14 14 GLU N N 14 121.739 121.739 121.674 0.065 19789 1983 1 9 . 1 1 14 14 GLU H H 14 9.003 9.003 8.874 0.129 19789 1984 1 9 . 1 1 15 15 GLU N N 15 117.808 117.808 118.514 -0.706 19789 1985 1 9 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.159 -0.081 19789 1986 1 9 . 1 1 15 15 GLU H H 15 8.538 8.538 8.578 -0.040 19789 1987 1 9 . 1 1 16 16 GLN N N 16 119.080 119.080 118.007 1.073 19789 1988 1 9 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.323 -0.416 19789 1989 1 9 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.252 1.770 19789 1990 1 9 . 1 1 16 16 GLN H H 16 7.875 7.875 7.901 -0.026 19789 1991 1 9 . 1 1 17 17 LYS N N 17 118.934 118.934 121.539 -2.605 19789 1992 1 9 . 1 1 17 17 LYS H H 17 8.650 8.650 8.047 0.603 19789 1993 1 9 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.514 0.043 19789 1994 1 9 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.178 -0.138 19789 1995 1 9 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.483 -0.635 19789 1996 1 9 . 1 1 19 19 GLU N N 19 123.449 123.449 118.030 5.419 19789 1997 1 9 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.222 -0.040 19789 1998 1 9 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.475 1.682 19789 1999 1 9 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.140 -0.755 19789 2000 1 9 . 1 1 19 19 GLU H H 19 8.131 8.131 8.376 -0.245 19789 2001 1 9 . 1 1 20 20 PHE N N 20 117.873 117.873 120.887 -3.014 19789 2002 1 9 . 1 1 20 20 PHE H H 20 8.645 8.645 8.182 0.463 19789 2003 1 9 . 1 1 21 21 LYS N N 21 122.555 122.555 119.407 3.148 19789 2004 1 9 . 1 1 21 21 LYS H H 21 8.781 8.781 8.928 -0.147 19789 2005 1 9 . 1 1 22 22 ALA N N 22 121.657 121.657 121.862 -0.205 19789 2006 1 9 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.177 -0.494 19789 2007 1 9 . 1 1 22 22 ALA H H 22 7.844 7.844 7.394 0.451 19789 2008 1 9 . 1 1 23 23 ALA N N 23 119.044 119.044 121.880 -2.836 19789 2009 1 9 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.067 0.372 19789 2010 1 9 . 1 1 23 23 ALA H H 23 8.141 8.141 7.550 0.591 19789 2011 1 9 . 1 1 24 24 PHE N N 24 121.051 121.051 117.256 3.795 19789 2012 1 9 . 1 1 24 24 PHE H H 24 8.942 8.942 7.862 1.080 19789 2013 1 9 . 1 1 25 25 ASP N N 25 116.425 116.425 118.947 -2.522 19789 2014 1 9 . 1 1 25 25 ASP H H 25 8.546 8.546 7.612 0.934 19789 2015 1 9 . 1 1 26 26 ILE N N 26 119.584 119.584 120.793 -1.209 19789 2016 1 9 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.722 0.011 19789 2017 1 9 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.033 -0.172 19789 2018 1 9 . 1 1 26 26 ILE H H 26 7.314 7.314 7.614 -0.300 19789 2019 1 9 . 1 1 27 27 PHE N N 27 120.837 120.837 117.991 2.846 19789 2020 1 9 . 1 1 27 27 PHE H H 27 8.103 8.103 8.625 -0.522 19789 2021 1 9 . 1 1 28 28 VAL N N 28 107.855 107.855 112.894 -5.039 19789 2022 1 9 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.248 -0.249 19789 2023 1 9 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.341 1.413 19789 2024 1 9 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.671 -0.162 19789 2025 1 9 . 1 1 28 28 VAL H H 28 7.555 7.555 7.200 0.355 19789 2026 1 9 . 1 1 29 29 LEU N N 29 125.187 125.187 124.394 0.793 19789 2027 1 9 . 1 1 29 29 LEU CB C 29 41.403 41.403 39.960 1.443 19789 2028 1 9 . 1 1 29 29 LEU H H 29 7.229 7.229 7.289 -0.060 19789 2029 1 9 . 1 1 30 30 GLY N N 30 111.816 111.816 110.260 1.556 19789 2030 1 9 . 1 1 30 30 GLY H H 30 8.799 8.799 8.167 0.632 19789 2031 1 9 . 1 1 31 31 ALA N N 31 124.151 124.151 121.722 2.429 19789 2032 1 9 . 1 1 31 31 ALA CB C 31 19.773 19.773 20.007 -0.234 19789 2033 1 9 . 1 1 31 31 ALA H H 31 7.946 7.946 7.489 0.457 19789 2034 1 9 . 1 1 32 32 GLU N N 32 124.621 124.621 119.958 4.663 19789 2035 1 9 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.297 -0.212 19789 2036 1 9 . 1 1 32 32 GLU H H 32 9.102 9.102 8.777 0.325 19789 2037 1 9 . 1 1 33 33 ASP N N 33 115.935 115.935 120.192 -4.257 19789 2038 1 9 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.693 0.041 19789 2039 1 9 . 1 1 33 33 ASP H H 33 8.199 8.199 8.439 -0.240 19789 2040 1 9 . 1 1 34 34 GLY N N 34 105.713 105.713 108.057 -2.344 19789 2041 1 9 . 1 1 34 34 GLY H H 34 7.653 7.653 8.072 -0.419 19789 2042 1 9 . 1 1 35 35 CYS N N 35 113.447 113.447 116.826 -3.379 19789 2043 1 9 . 1 1 35 35 CYS H H 35 7.621 7.621 7.749 -0.128 19789 2044 1 9 . 1 1 36 36 ILE N N 36 119.384 119.384 118.427 0.957 19789 2045 1 9 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.184 -0.318 19789 2046 1 9 . 1 1 36 36 ILE CB C 36 39.464 39.464 42.189 -2.725 19789 2047 1 9 . 1 1 36 36 ILE H H 36 8.793 8.793 8.438 0.355 19789 2048 1 9 . 1 1 37 37 SER N N 37 125.951 125.951 118.629 7.322 19789 2049 1 9 . 1 1 37 37 SER H H 37 9.421 9.421 8.645 0.776 19789 2050 1 9 . 1 1 38 38 THR N N 38 112.286 112.286 117.249 -4.963 19789 2051 1 9 . 1 1 38 38 THR HA H 38 3.726 3.726 3.741 -0.015 19789 2052 1 9 . 1 1 38 38 THR CA C 38 66.708 66.708 65.613 1.095 19789 2053 1 9 . 1 1 38 38 THR H H 38 8.816 8.816 8.186 0.630 19789 2054 1 9 . 1 1 39 39 LYS N N 39 122.672 122.672 119.571 3.101 19789 2055 1 9 . 1 1 39 39 LYS H H 39 8.016 8.016 8.446 -0.430 19789 2056 1 9 . 1 1 40 40 GLU N N 40 119.098 119.098 117.385 1.713 19789 2057 1 9 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.192 -0.008 19789 2058 1 9 . 1 1 40 40 GLU H H 40 7.705 7.705 8.285 -0.580 19789 2059 1 9 . 1 1 41 41 LEU N N 41 119.205 119.205 120.911 -1.706 19789 2060 1 9 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.307 0.803 19789 2061 1 9 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.261 0.427 19789 2062 1 9 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.498 1.012 19789 2063 1 9 . 1 1 41 41 LEU H H 41 8.356 8.356 7.864 0.492 19789 2064 1 9 . 1 1 42 42 GLY N N 42 105.741 105.741 105.608 0.133 19789 2065 1 9 . 1 1 42 42 GLY H H 42 8.422 8.422 8.413 0.009 19789 2066 1 9 . 1 1 43 43 LYS N N 43 120.666 120.666 121.179 -0.513 19789 2067 1 9 . 1 1 43 43 LYS H H 43 7.265 7.265 7.757 -0.492 19789 2068 1 9 . 1 1 44 44 VAL N N 44 119.328 119.328 115.175 4.153 19789 2069 1 9 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.788 -0.332 19789 2070 1 9 . 1 1 44 44 VAL CA C 44 66.387 66.387 66.002 0.385 19789 2071 1 9 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.547 0.089 19789 2072 1 9 . 1 1 44 44 VAL H H 44 7.488 7.488 7.883 -0.395 19789 2073 1 9 . 1 1 45 45 MET N N 45 116.122 116.122 120.866 -4.744 19789 2074 1 9 . 1 1 45 45 MET HA H 45 4.171 4.171 4.003 0.168 19789 2075 1 9 . 1 1 45 45 MET H H 45 8.357 8.357 7.172 1.185 19789 2076 1 9 . 1 1 46 46 ARG N N 46 118.799 118.799 119.099 -0.300 19789 2077 1 9 . 1 1 46 46 ARG H H 46 8.115 8.115 7.656 0.459 19789 2078 1 9 . 1 1 47 47 MET N N 47 122.183 122.183 116.196 5.987 19789 2079 1 9 . 1 1 47 47 MET HA H 47 4.233 4.233 4.253 -0.020 19789 2080 1 9 . 1 1 47 47 MET H H 47 7.866 7.866 7.769 0.097 19789 2081 1 9 . 1 1 48 48 LEU N N 48 117.213 117.213 119.183 -1.970 19789 2082 1 9 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.220 0.137 19789 2083 1 9 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.665 -0.987 19789 2084 1 9 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.720 -1.093 19789 2085 1 9 . 1 1 48 48 LEU H H 48 7.499 7.499 7.690 -0.191 19789 2086 1 9 . 1 1 49 49 GLY N N 49 107.154 107.154 104.867 2.287 19789 2087 1 9 . 1 1 49 49 GLY H H 49 7.841 7.841 7.784 0.057 19789 2088 1 9 . 1 1 50 50 GLN N N 50 118.411 118.411 118.209 0.202 19789 2089 1 9 . 1 1 50 50 GLN H H 50 8.014 8.014 8.004 0.010 19789 2090 1 9 . 1 1 51 51 ASN N N 51 116.615 116.615 116.363 0.252 19789 2091 1 9 . 1 1 51 51 ASN H H 51 8.716 8.716 8.474 0.242 19789 2092 1 9 . 1 1 53 53 THR N N 53 113.821 113.821 113.335 0.486 19789 2093 1 9 . 1 1 53 53 THR H H 53 8.801 8.801 8.373 0.428 19789 2094 1 9 . 1 1 55 55 GLU N N 55 117.313 117.313 119.287 -1.974 19789 2095 1 9 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.203 -0.181 19789 2096 1 9 . 1 1 55 55 GLU H H 55 8.751 8.751 8.698 0.053 19789 2097 1 9 . 1 1 56 56 GLU N N 56 121.618 121.618 119.100 2.518 19789 2098 1 9 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.191 -0.193 19789 2099 1 9 . 1 1 56 56 GLU H H 56 7.803 7.803 7.792 0.011 19789 2100 1 9 . 1 1 57 57 LEU N N 57 119.131 119.131 121.313 -2.182 19789 2101 1 9 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.910 0.138 19789 2102 1 9 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.349 -0.502 19789 2103 1 9 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.807 0.836 19789 2104 1 9 . 1 1 57 57 LEU H H 57 8.179 8.179 8.700 -0.521 19789 2105 1 9 . 1 1 58 58 GLN N N 58 117.777 117.777 117.237 0.540 19789 2106 1 9 . 1 1 58 58 GLN H H 58 7.945 7.945 8.216 -0.271 19789 2107 1 9 . 1 1 59 59 GLU N N 59 119.087 119.087 120.859 -1.772 19789 2108 1 9 . 1 1 59 59 GLU HA H 59 4.047 4.047 4.025 0.022 19789 2109 1 9 . 1 1 59 59 GLU H H 59 7.887 7.887 8.722 -0.835 19789 2110 1 9 . 1 1 60 60 MET N N 60 117.618 117.618 114.456 3.162 19789 2111 1 9 . 1 1 60 60 MET HA H 60 3.921 3.921 4.473 -0.552 19789 2112 1 9 . 1 1 60 60 MET H H 60 7.702 7.702 8.300 -0.598 19789 2113 1 9 . 1 1 61 61 ILE N N 61 118.070 118.070 116.564 1.506 19789 2114 1 9 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.094 -0.747 19789 2115 1 9 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.842 2.015 19789 2116 1 9 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.179 -1.765 19789 2117 1 9 . 1 1 61 61 ILE H H 61 7.358 7.358 7.813 -0.455 19789 2118 1 9 . 1 1 62 62 ASP N N 62 119.384 119.384 120.976 -1.592 19789 2119 1 9 . 1 1 62 62 ASP H H 62 8.683 8.683 8.961 -0.278 19789 2120 1 9 . 1 1 63 63 GLU N N 63 115.866 115.866 118.081 -2.215 19789 2121 1 9 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.110 -0.080 19789 2122 1 9 . 1 1 63 63 GLU H H 63 7.612 7.612 8.083 -0.471 19789 2123 1 9 . 1 1 64 64 VAL N N 64 107.501 107.501 111.507 -4.006 19789 2124 1 9 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.367 0.178 19789 2125 1 9 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.521 0.530 19789 2126 1 9 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.997 0.385 19789 2127 1 9 . 1 1 64 64 VAL H H 64 7.239 7.239 7.371 -0.132 19789 2128 1 9 . 1 1 65 65 ASP N N 65 121.745 121.745 122.577 -0.832 19789 2129 1 9 . 1 1 65 65 ASP H H 65 7.584 7.584 7.940 -0.356 19789 2130 1 9 . 1 1 66 66 GLU N N 66 128.227 128.227 122.762 5.465 19789 2131 1 9 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.358 -0.172 19789 2132 1 9 . 1 1 66 66 GLU H H 66 8.633 8.633 8.457 0.176 19789 2133 1 9 . 1 1 67 67 ASP N N 67 114.509 114.509 119.213 -4.704 19789 2134 1 9 . 1 1 67 67 ASP H H 67 7.967 7.967 8.177 -0.210 19789 2135 1 9 . 1 1 68 68 GLY N N 68 108.897 108.897 108.262 0.635 19789 2136 1 9 . 1 1 68 68 GLY H H 68 7.765 7.765 8.009 -0.244 19789 2137 1 9 . 1 1 69 69 SER N N 69 116.480 116.480 117.008 -0.528 19789 2138 1 9 . 1 1 69 69 SER H H 69 8.452 8.452 8.243 0.209 19789 2139 1 9 . 1 1 70 70 GLY N N 70 116.525 116.525 111.140 5.385 19789 2140 1 9 . 1 1 70 70 GLY H H 70 10.847 10.847 8.176 2.671 19789 2141 1 9 . 1 1 71 71 THR N N 71 107.688 107.688 116.395 -8.707 19789 2142 1 9 . 1 1 71 71 THR HA H 71 4.914 4.914 5.334 -0.420 19789 2143 1 9 . 1 1 71 71 THR CA C 71 58.346 58.346 60.836 -2.490 19789 2144 1 9 . 1 1 71 71 THR CB C 71 73.760 73.760 70.906 2.854 19789 2145 1 9 . 1 1 71 71 THR H H 71 7.664 7.664 7.504 0.160 19789 2146 1 9 . 1 1 72 72 VAL N N 72 126.813 126.813 124.588 2.225 19789 2147 1 9 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.674 0.411 19789 2148 1 9 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.798 -1.218 19789 2149 1 9 . 1 1 72 72 VAL H H 72 9.792 9.792 7.981 1.811 19789 2150 1 9 . 1 1 73 73 ASP N N 73 128.665 128.665 120.533 8.132 19789 2151 1 9 . 1 1 73 73 ASP H H 73 8.746 8.746 8.091 0.655 19789 2152 1 9 . 1 1 74 74 PHE N N 74 118.267 118.267 118.459 -0.192 19789 2153 1 9 . 1 1 74 74 PHE H H 74 8.577 8.577 9.271 -0.694 19789 2154 1 9 . 1 1 75 75 ASP N N 75 117.261 117.261 118.976 -1.715 19789 2155 1 9 . 1 1 75 75 ASP H H 75 7.654 7.654 7.591 0.063 19789 2156 1 9 . 1 1 76 76 GLU N N 76 120.396 120.396 120.935 -0.539 19789 2157 1 9 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.128 -0.102 19789 2158 1 9 . 1 1 76 76 GLU H H 76 8.169 8.169 7.831 0.338 19789 2159 1 9 . 1 1 77 77 PHE N N 77 122.823 122.823 121.297 1.526 19789 2160 1 9 . 1 1 77 77 PHE H H 77 8.984 8.984 9.208 -0.224 19789 2161 1 9 . 1 1 78 78 LEU N N 78 118.595 118.595 119.100 -0.505 19789 2162 1 9 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.781 -0.494 19789 2163 1 9 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.856 0.259 19789 2164 1 9 . 1 1 78 78 LEU CB C 78 41.353 41.353 40.711 0.642 19789 2165 1 9 . 1 1 78 78 LEU H H 78 7.950 7.950 7.724 0.226 19789 2166 1 9 . 1 1 79 79 VAL N N 79 118.101 118.101 118.934 -0.833 19789 2167 1 9 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.448 -0.200 19789 2168 1 9 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.629 0.271 19789 2169 1 9 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.478 -0.579 19789 2170 1 9 . 1 1 79 79 VAL H H 79 6.947 6.947 7.359 -0.412 19789 2171 1 9 . 1 1 80 80 MET N N 80 119.853 119.853 117.909 1.944 19789 2172 1 9 . 1 1 80 80 MET H H 80 7.952 7.952 7.652 0.300 19789 2173 1 9 . 1 1 81 81 MET N N 81 117.448 117.448 116.635 0.813 19789 2174 1 9 . 1 1 81 81 MET H H 81 8.110 8.110 7.875 0.235 19789 2175 1 9 . 1 1 82 82 VAL N N 82 117.627 117.627 121.682 -4.055 19789 2176 1 9 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.574 0.388 19789 2177 1 9 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.416 -0.349 19789 2178 1 9 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.531 -0.389 19789 2179 1 9 . 1 1 82 82 VAL H H 82 8.183 8.183 7.513 0.669 19789 2180 1 9 . 1 1 83 83 ARG N N 83 120.495 120.495 120.221 0.274 19789 2181 1 9 . 1 1 83 83 ARG H H 83 8.169 8.169 8.450 -0.281 19789 2182 1 9 . 1 1 84 84 CYS N N 84 113.519 113.519 113.745 -0.226 19789 2183 1 9 . 1 1 84 84 CYS H H 84 7.507 7.507 7.638 -0.131 19789 2184 1 9 . 1 1 85 85 MET N N 85 120.618 120.618 122.082 -1.464 19789 2185 1 9 . 1 1 85 85 MET H H 85 7.661 7.661 7.682 -0.021 19789 2186 1 9 . 1 1 86 86 LYS N N 86 120.147 120.147 118.131 2.016 19789 2187 1 9 . 1 1 86 86 LYS H H 86 7.779 7.779 8.031 -0.252 19789 2188 1 10 . 1 1 3 3 ASP N N 3 122.928 122.928 121.374 1.554 19789 2189 1 10 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.464 0.002 19789 2190 1 10 . 1 1 3 3 ASP H H 3 8.538 8.538 8.506 0.032 19789 2191 1 10 . 1 1 4 4 ILE N N 4 119.305 119.305 120.499 -1.194 19789 2192 1 10 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.879 0.032 19789 2193 1 10 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.792 1.033 19789 2194 1 10 . 1 1 4 4 ILE CB C 4 37.641 37.641 38.090 -0.449 19789 2195 1 10 . 1 1 4 4 ILE H H 4 8.236 8.236 8.377 -0.141 19789 2196 1 10 . 1 1 5 5 TYR N N 5 120.903 120.903 116.655 4.248 19789 2197 1 10 . 1 1 5 5 TYR H H 5 7.618 7.618 6.882 0.736 19789 2198 1 10 . 1 1 6 6 LYS N N 6 120.946 120.946 121.402 -0.456 19789 2199 1 10 . 1 1 6 6 LYS H H 6 7.894 7.894 7.721 0.173 19789 2200 1 10 . 1 1 7 7 ALA N N 7 120.284 120.284 120.645 -0.361 19789 2201 1 10 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.331 -0.327 19789 2202 1 10 . 1 1 7 7 ALA H H 7 7.934 7.934 7.338 0.596 19789 2203 1 10 . 1 1 8 8 ALA N N 8 119.988 119.988 121.562 -1.574 19789 2204 1 10 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.449 -0.049 19789 2205 1 10 . 1 1 8 8 ALA H H 8 7.501 7.501 7.665 -0.164 19789 2206 1 10 . 1 1 9 9 VAL N N 9 119.175 119.175 116.068 3.107 19789 2207 1 10 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.639 -0.079 19789 2208 1 10 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.721 0.656 19789 2209 1 10 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.638 0.118 19789 2210 1 10 . 1 1 9 9 VAL H H 9 8.077 8.077 7.862 0.215 19789 2211 1 10 . 1 1 10 10 GLU N N 10 118.387 118.387 117.400 0.987 19789 2212 1 10 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.062 0.055 19789 2213 1 10 . 1 1 10 10 GLU H H 10 7.802 7.802 7.650 0.152 19789 2214 1 10 . 1 1 11 11 GLN N N 11 114.922 114.922 119.094 -4.172 19789 2215 1 10 . 1 1 11 11 GLN H H 11 7.377 7.377 7.551 -0.174 19789 2216 1 10 . 1 1 12 12 LEU N N 12 120.676 120.676 120.109 0.567 19789 2217 1 10 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.698 -0.179 19789 2218 1 10 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.900 1.303 19789 2219 1 10 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.499 -1.405 19789 2220 1 10 . 1 1 12 12 LEU H H 12 7.388 7.388 7.223 0.165 19789 2221 1 10 . 1 1 13 13 THR N N 13 113.723 113.723 117.959 -4.236 19789 2222 1 10 . 1 1 13 13 THR HA H 13 4.438 4.438 4.602 -0.164 19789 2223 1 10 . 1 1 13 13 THR CA C 13 60.944 60.944 60.686 0.258 19789 2224 1 10 . 1 1 13 13 THR H H 13 8.875 8.875 8.159 0.716 19789 2225 1 10 . 1 1 14 14 GLU N N 14 121.739 121.739 123.025 -1.286 19789 2226 1 10 . 1 1 14 14 GLU H H 14 9.003 9.003 9.027 -0.024 19789 2227 1 10 . 1 1 15 15 GLU N N 15 117.808 117.808 117.684 0.124 19789 2228 1 10 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.057 0.021 19789 2229 1 10 . 1 1 15 15 GLU H H 15 8.538 8.538 8.573 -0.035 19789 2230 1 10 . 1 1 16 16 GLN N N 16 119.080 119.080 117.936 1.144 19789 2231 1 10 . 1 1 16 16 GLN HA H 16 3.907 3.907 3.997 -0.090 19789 2232 1 10 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.535 1.487 19789 2233 1 10 . 1 1 16 16 GLN H H 16 7.875 7.875 7.906 -0.031 19789 2234 1 10 . 1 1 17 17 LYS N N 17 118.934 118.934 120.719 -1.785 19789 2235 1 10 . 1 1 17 17 LYS H H 17 8.650 8.650 7.807 0.843 19789 2236 1 10 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.444 0.113 19789 2237 1 10 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.178 -0.137 19789 2238 1 10 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.466 -0.618 19789 2239 1 10 . 1 1 19 19 GLU N N 19 123.449 123.449 119.041 4.408 19789 2240 1 10 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.199 -0.017 19789 2241 1 10 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.868 1.289 19789 2242 1 10 . 1 1 19 19 GLU CB C 19 29.385 29.385 29.946 -0.561 19789 2243 1 10 . 1 1 19 19 GLU H H 19 8.131 8.131 8.195 -0.064 19789 2244 1 10 . 1 1 20 20 PHE N N 20 117.873 117.873 119.164 -1.291 19789 2245 1 10 . 1 1 20 20 PHE H H 20 8.645 8.645 7.927 0.718 19789 2246 1 10 . 1 1 21 21 LYS N N 21 122.555 122.555 119.808 2.747 19789 2247 1 10 . 1 1 21 21 LYS H H 21 8.781 8.781 8.872 -0.091 19789 2248 1 10 . 1 1 22 22 ALA N N 22 121.657 121.657 121.474 0.183 19789 2249 1 10 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.191 -0.508 19789 2250 1 10 . 1 1 22 22 ALA H H 22 7.844 7.844 7.652 0.192 19789 2251 1 10 . 1 1 23 23 ALA N N 23 119.044 119.044 121.924 -2.880 19789 2252 1 10 . 1 1 23 23 ALA CB C 23 18.439 18.439 17.928 0.511 19789 2253 1 10 . 1 1 23 23 ALA H H 23 8.141 8.141 7.610 0.531 19789 2254 1 10 . 1 1 24 24 PHE N N 24 121.051 121.051 117.887 3.164 19789 2255 1 10 . 1 1 24 24 PHE H H 24 8.942 8.942 8.130 0.812 19789 2256 1 10 . 1 1 25 25 ASP N N 25 116.425 116.425 119.083 -2.658 19789 2257 1 10 . 1 1 25 25 ASP H H 25 8.546 8.546 7.692 0.854 19789 2258 1 10 . 1 1 26 26 ILE N N 26 119.584 119.584 120.731 -1.147 19789 2259 1 10 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.718 0.015 19789 2260 1 10 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.029 -0.168 19789 2261 1 10 . 1 1 26 26 ILE H H 26 7.314 7.314 7.597 -0.283 19789 2262 1 10 . 1 1 27 27 PHE N N 27 120.837 120.837 118.387 2.450 19789 2263 1 10 . 1 1 27 27 PHE H H 27 8.103 8.103 8.742 -0.639 19789 2264 1 10 . 1 1 28 28 VAL N N 28 107.855 107.855 118.002 -10.147 19789 2265 1 10 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.035 -0.036 19789 2266 1 10 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.573 1.181 19789 2267 1 10 . 1 1 28 28 VAL CB C 28 31.509 31.509 31.764 -0.255 19789 2268 1 10 . 1 1 28 28 VAL H H 28 7.555 7.555 7.250 0.305 19789 2269 1 10 . 1 1 29 29 LEU N N 29 125.187 125.187 124.140 1.047 19789 2270 1 10 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.415 0.988 19789 2271 1 10 . 1 1 29 29 LEU H H 29 7.229 7.229 7.211 0.018 19789 2272 1 10 . 1 1 30 30 GLY N N 30 111.816 111.816 112.219 -0.403 19789 2273 1 10 . 1 1 30 30 GLY H H 30 8.799 8.799 8.017 0.782 19789 2274 1 10 . 1 1 31 31 ALA N N 31 124.151 124.151 121.831 2.320 19789 2275 1 10 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.560 0.213 19789 2276 1 10 . 1 1 31 31 ALA H H 31 7.946 7.946 7.439 0.507 19789 2277 1 10 . 1 1 32 32 GLU N N 32 124.621 124.621 119.044 5.577 19789 2278 1 10 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.255 -0.170 19789 2279 1 10 . 1 1 32 32 GLU H H 32 9.102 9.102 8.466 0.636 19789 2280 1 10 . 1 1 33 33 ASP N N 33 115.935 115.935 117.856 -1.921 19789 2281 1 10 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.702 0.032 19789 2282 1 10 . 1 1 33 33 ASP H H 33 8.199 8.199 8.393 -0.194 19789 2283 1 10 . 1 1 34 34 GLY N N 34 105.713 105.713 108.243 -2.530 19789 2284 1 10 . 1 1 34 34 GLY H H 34 7.653 7.653 8.213 -0.560 19789 2285 1 10 . 1 1 35 35 CYS N N 35 113.447 113.447 117.026 -3.579 19789 2286 1 10 . 1 1 35 35 CYS H H 35 7.621 7.621 7.716 -0.095 19789 2287 1 10 . 1 1 36 36 ILE N N 36 119.384 119.384 118.162 1.222 19789 2288 1 10 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.187 -0.321 19789 2289 1 10 . 1 1 36 36 ILE CB C 36 39.464 39.464 42.128 -2.664 19789 2290 1 10 . 1 1 36 36 ILE H H 36 8.793 8.793 8.687 0.106 19789 2291 1 10 . 1 1 37 37 SER N N 37 125.951 125.951 118.445 7.506 19789 2292 1 10 . 1 1 37 37 SER H H 37 9.421 9.421 8.591 0.830 19789 2293 1 10 . 1 1 38 38 THR N N 38 112.286 112.286 117.135 -4.849 19789 2294 1 10 . 1 1 38 38 THR HA H 38 3.726 3.726 3.693 0.033 19789 2295 1 10 . 1 1 38 38 THR CA C 38 66.708 66.708 65.984 0.724 19789 2296 1 10 . 1 1 38 38 THR H H 38 8.816 8.816 8.273 0.543 19789 2297 1 10 . 1 1 39 39 LYS N N 39 122.672 122.672 120.240 2.432 19789 2298 1 10 . 1 1 39 39 LYS H H 39 8.016 8.016 8.340 -0.324 19789 2299 1 10 . 1 1 40 40 GLU N N 40 119.098 119.098 118.325 0.773 19789 2300 1 10 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.224 -0.040 19789 2301 1 10 . 1 1 40 40 GLU H H 40 7.705 7.705 8.192 -0.487 19789 2302 1 10 . 1 1 41 41 LEU N N 41 119.205 119.205 120.152 -0.947 19789 2303 1 10 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.261 0.849 19789 2304 1 10 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.195 0.493 19789 2305 1 10 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.322 1.188 19789 2306 1 10 . 1 1 41 41 LEU H H 41 8.356 8.356 7.886 0.470 19789 2307 1 10 . 1 1 42 42 GLY N N 42 105.741 105.741 105.860 -0.119 19789 2308 1 10 . 1 1 42 42 GLY H H 42 8.422 8.422 8.404 0.018 19789 2309 1 10 . 1 1 43 43 LYS N N 43 120.666 120.666 121.281 -0.615 19789 2310 1 10 . 1 1 43 43 LYS H H 43 7.265 7.265 7.767 -0.502 19789 2311 1 10 . 1 1 44 44 VAL N N 44 119.328 119.328 116.073 3.255 19789 2312 1 10 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.929 -0.473 19789 2313 1 10 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.071 1.316 19789 2314 1 10 . 1 1 44 44 VAL CB C 44 31.636 31.636 30.657 0.979 19789 2315 1 10 . 1 1 44 44 VAL H H 44 7.488 7.488 8.089 -0.601 19789 2316 1 10 . 1 1 45 45 MET N N 45 116.122 116.122 120.864 -4.742 19789 2317 1 10 . 1 1 45 45 MET HA H 45 4.171 4.171 4.022 0.149 19789 2318 1 10 . 1 1 45 45 MET H H 45 8.357 8.357 7.221 1.136 19789 2319 1 10 . 1 1 46 46 ARG N N 46 118.799 118.799 117.838 0.961 19789 2320 1 10 . 1 1 46 46 ARG H H 46 8.115 8.115 7.662 0.453 19789 2321 1 10 . 1 1 47 47 MET N N 47 122.183 122.183 116.458 5.725 19789 2322 1 10 . 1 1 47 47 MET HA H 47 4.233 4.233 4.255 -0.022 19789 2323 1 10 . 1 1 47 47 MET H H 47 7.866 7.866 7.661 0.205 19789 2324 1 10 . 1 1 48 48 LEU N N 48 117.213 117.213 118.705 -1.492 19789 2325 1 10 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.202 0.155 19789 2326 1 10 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.615 -0.937 19789 2327 1 10 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.791 -1.164 19789 2328 1 10 . 1 1 48 48 LEU H H 48 7.499 7.499 7.724 -0.225 19789 2329 1 10 . 1 1 49 49 GLY N N 49 107.154 107.154 105.290 1.864 19789 2330 1 10 . 1 1 49 49 GLY H H 49 7.841 7.841 7.809 0.032 19789 2331 1 10 . 1 1 50 50 GLN N N 50 118.411 118.411 118.117 0.294 19789 2332 1 10 . 1 1 50 50 GLN H H 50 8.014 8.014 8.084 -0.070 19789 2333 1 10 . 1 1 51 51 ASN N N 51 116.615 116.615 115.741 0.874 19789 2334 1 10 . 1 1 51 51 ASN H H 51 8.716 8.716 8.465 0.251 19789 2335 1 10 . 1 1 53 53 THR N N 53 113.821 113.821 114.176 -0.355 19789 2336 1 10 . 1 1 53 53 THR H H 53 8.801 8.801 8.411 0.390 19789 2337 1 10 . 1 1 55 55 GLU N N 55 117.313 117.313 117.527 -0.214 19789 2338 1 10 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.193 -0.171 19789 2339 1 10 . 1 1 55 55 GLU H H 55 8.751 8.751 8.587 0.164 19789 2340 1 10 . 1 1 56 56 GLU N N 56 121.618 121.618 120.050 1.568 19789 2341 1 10 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.184 -0.186 19789 2342 1 10 . 1 1 56 56 GLU H H 56 7.803 7.803 7.584 0.219 19789 2343 1 10 . 1 1 57 57 LEU N N 57 119.131 119.131 121.589 -2.458 19789 2344 1 10 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.861 0.187 19789 2345 1 10 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.051 -0.204 19789 2346 1 10 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.362 1.281 19789 2347 1 10 . 1 1 57 57 LEU H H 57 8.179 8.179 8.570 -0.391 19789 2348 1 10 . 1 1 58 58 GLN N N 58 117.777 117.777 117.924 -0.147 19789 2349 1 10 . 1 1 58 58 GLN H H 58 7.945 7.945 8.206 -0.261 19789 2350 1 10 . 1 1 59 59 GLU N N 59 119.087 119.087 121.355 -2.268 19789 2351 1 10 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.989 0.058 19789 2352 1 10 . 1 1 59 59 GLU H H 59 7.887 7.887 8.843 -0.956 19789 2353 1 10 . 1 1 60 60 MET N N 60 117.618 117.618 115.574 2.044 19789 2354 1 10 . 1 1 60 60 MET HA H 60 3.921 3.921 4.311 -0.390 19789 2355 1 10 . 1 1 60 60 MET H H 60 7.702 7.702 8.370 -0.668 19789 2356 1 10 . 1 1 61 61 ILE N N 61 118.070 118.070 113.461 4.609 19789 2357 1 10 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.238 -0.891 19789 2358 1 10 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.477 2.380 19789 2359 1 10 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.272 -1.857 19789 2360 1 10 . 1 1 61 61 ILE H H 61 7.358 7.358 7.639 -0.281 19789 2361 1 10 . 1 1 62 62 ASP N N 62 119.384 119.384 121.544 -2.160 19789 2362 1 10 . 1 1 62 62 ASP H H 62 8.683 8.683 8.876 -0.193 19789 2363 1 10 . 1 1 63 63 GLU N N 63 115.866 115.866 118.919 -3.053 19789 2364 1 10 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.187 -0.157 19789 2365 1 10 . 1 1 63 63 GLU H H 63 7.612 7.612 7.864 -0.252 19789 2366 1 10 . 1 1 64 64 VAL N N 64 107.501 107.501 112.770 -5.269 19789 2367 1 10 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.434 0.111 19789 2368 1 10 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.307 0.744 19789 2369 1 10 . 1 1 64 64 VAL CB C 64 32.382 32.382 32.010 0.372 19789 2370 1 10 . 1 1 64 64 VAL H H 64 7.239 7.239 7.347 -0.108 19789 2371 1 10 . 1 1 65 65 ASP N N 65 121.745 121.745 122.522 -0.777 19789 2372 1 10 . 1 1 65 65 ASP H H 65 7.584 7.584 7.801 -0.217 19789 2373 1 10 . 1 1 66 66 GLU N N 66 128.227 128.227 123.321 4.906 19789 2374 1 10 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.364 -0.178 19789 2375 1 10 . 1 1 66 66 GLU H H 66 8.633 8.633 8.553 0.080 19789 2376 1 10 . 1 1 67 67 ASP N N 67 114.509 114.509 117.494 -2.985 19789 2377 1 10 . 1 1 67 67 ASP H H 67 7.967 7.967 8.482 -0.515 19789 2378 1 10 . 1 1 68 68 GLY N N 68 108.897 108.897 109.615 -0.718 19789 2379 1 10 . 1 1 68 68 GLY H H 68 7.765 7.765 9.107 -1.342 19789 2380 1 10 . 1 1 69 69 SER N N 69 116.480 116.480 117.199 -0.719 19789 2381 1 10 . 1 1 69 69 SER H H 69 8.452 8.452 7.841 0.611 19789 2382 1 10 . 1 1 70 70 GLY N N 70 116.525 116.525 108.882 7.643 19789 2383 1 10 . 1 1 70 70 GLY H H 70 10.847 10.847 8.238 2.609 19789 2384 1 10 . 1 1 71 71 THR N N 71 107.688 107.688 117.062 -9.374 19789 2385 1 10 . 1 1 71 71 THR HA H 71 4.914 4.914 4.722 0.192 19789 2386 1 10 . 1 1 71 71 THR CA C 71 58.346 58.346 61.045 -2.699 19789 2387 1 10 . 1 1 71 71 THR CB C 71 73.760 73.760 71.094 2.666 19789 2388 1 10 . 1 1 71 71 THR H H 71 7.664 7.664 7.666 -0.002 19789 2389 1 10 . 1 1 72 72 VAL N N 72 126.813 126.813 121.186 5.627 19789 2390 1 10 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.970 0.115 19789 2391 1 10 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.400 -0.820 19789 2392 1 10 . 1 1 72 72 VAL H H 72 9.792 9.792 7.845 1.947 19789 2393 1 10 . 1 1 73 73 ASP N N 73 128.665 128.665 122.743 5.922 19789 2394 1 10 . 1 1 73 73 ASP H H 73 8.746 8.746 8.187 0.559 19789 2395 1 10 . 1 1 74 74 PHE N N 74 118.267 118.267 118.442 -0.175 19789 2396 1 10 . 1 1 74 74 PHE H H 74 8.577 8.577 8.155 0.421 19789 2397 1 10 . 1 1 75 75 ASP N N 75 117.261 117.261 119.062 -1.801 19789 2398 1 10 . 1 1 75 75 ASP H H 75 7.654 7.654 8.440 -0.786 19789 2399 1 10 . 1 1 76 76 GLU N N 76 120.396 120.396 121.206 -0.810 19789 2400 1 10 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.132 -0.105 19789 2401 1 10 . 1 1 76 76 GLU H H 76 8.169 8.169 8.215 -0.046 19789 2402 1 10 . 1 1 77 77 PHE N N 77 122.823 122.823 121.185 1.638 19789 2403 1 10 . 1 1 77 77 PHE H H 77 8.984 8.984 8.968 0.016 19789 2404 1 10 . 1 1 78 78 LEU N N 78 118.595 118.595 118.212 0.383 19789 2405 1 10 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.511 -0.224 19789 2406 1 10 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.795 0.320 19789 2407 1 10 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.600 -0.247 19789 2408 1 10 . 1 1 78 78 LEU H H 78 7.950 7.950 7.597 0.353 19789 2409 1 10 . 1 1 79 79 VAL N N 79 118.101 118.101 118.580 -0.479 19789 2410 1 10 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.495 -0.247 19789 2411 1 10 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.594 0.306 19789 2412 1 10 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.607 -0.708 19789 2413 1 10 . 1 1 79 79 VAL H H 79 6.947 6.947 7.436 -0.489 19789 2414 1 10 . 1 1 80 80 MET N N 80 119.853 119.853 117.771 2.082 19789 2415 1 10 . 1 1 80 80 MET H H 80 7.952 7.952 7.531 0.421 19789 2416 1 10 . 1 1 81 81 MET N N 81 117.448 117.448 116.322 1.126 19789 2417 1 10 . 1 1 81 81 MET H H 81 8.110 8.110 7.800 0.310 19789 2418 1 10 . 1 1 82 82 VAL N N 82 117.627 117.627 120.371 -2.744 19789 2419 1 10 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.653 0.309 19789 2420 1 10 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.118 -0.051 19789 2421 1 10 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.405 -0.263 19789 2422 1 10 . 1 1 82 82 VAL H H 82 8.183 8.183 7.425 0.758 19789 2423 1 10 . 1 1 83 83 ARG N N 83 120.495 120.495 118.600 1.895 19789 2424 1 10 . 1 1 83 83 ARG H H 83 8.169 8.169 8.167 0.002 19789 2425 1 10 . 1 1 84 84 CYS N N 84 113.519 113.519 117.526 -4.007 19789 2426 1 10 . 1 1 84 84 CYS H H 84 7.507 7.507 7.708 -0.201 19789 2427 1 10 . 1 1 85 85 MET N N 85 120.618 120.618 120.776 -0.158 19789 2428 1 10 . 1 1 85 85 MET H H 85 7.661 7.661 7.488 0.173 19789 2429 1 10 . 1 1 86 86 LYS N N 86 120.147 120.147 118.207 1.940 19789 2430 1 10 . 1 1 86 86 LYS H H 86 7.779 7.779 8.122 -0.343 19789 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 81 3.093 0.019 3.113 19789 2 1 1 "Average Difference" HA 37 0.316 0.089 0.307 19789 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19789 4 1 1 "Average Difference" CA 19 1.144 -0.389 1.106 19789 5 1 1 "Average Difference" CB 25 1.006 0.320 0.974 19789 6 1 1 "Average Difference" HN 81 0.587 -0.119 0.578 19789 7 1 2 "Average Difference" N 81 2.973 -0.298 2.976 19789 8 1 2 "Average Difference" HA 37 0.287 0.113 0.267 19789 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19789 10 1 2 "Average Difference" CA 19 1.053 -0.439 0.983 19789 11 1 2 "Average Difference" CB 25 0.955 0.189 0.956 19789 12 1 2 "Average Difference" HN 81 0.587 -0.134 0.575 19789 13 1 3 "Average Difference" N 81 3.068 -0.199 3.081 19789 14 1 3 "Average Difference" HA 37 0.276 0.109 0.257 19789 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19789 16 1 3 "Average Difference" CA 19 1.090 -0.571 0.954 19789 17 1 3 "Average Difference" CB 25 0.874 0.177 0.873 19789 18 1 3 "Average Difference" HN 81 0.600 -0.103 0.595 19789 19 1 4 "Average Difference" N 81 3.152 -0.163 3.167 19789 20 1 4 "Average Difference" HA 37 0.258 0.071 0.252 19789 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19789 22 1 4 "Average Difference" CA 19 1.173 -0.586 1.043 19789 23 1 4 "Average Difference" CB 25 0.943 0.136 0.952 19789 24 1 4 "Average Difference" HN 81 0.605 -0.140 0.592 19789 25 1 5 "Average Difference" N 81 3.143 -0.204 3.156 19789 26 1 5 "Average Difference" HA 37 0.351 0.112 0.337 19789 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19789 28 1 5 "Average Difference" CA 19 1.077 -0.557 0.948 19789 29 1 5 "Average Difference" CB 25 0.990 0.272 0.971 19789 30 1 5 "Average Difference" HN 81 0.612 -0.058 0.613 19789 31 1 6 "Average Difference" N 81 2.851 -0.039 2.868 19789 32 1 6 "Average Difference" HA 37 0.319 0.079 0.313 19789 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19789 34 1 6 "Average Difference" CA 19 1.141 -0.644 0.967 19789 35 1 6 "Average Difference" CB 25 0.974 0.109 0.988 19789 36 1 6 "Average Difference" HN 81 0.567 -0.115 0.559 19789 37 1 7 "Average Difference" N 81 3.335 -0.364 3.336 19789 38 1 7 "Average Difference" HA 37 0.298 0.029 0.300 19789 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19789 40 1 7 "Average Difference" CA 19 1.248 -0.527 1.162 19789 41 1 7 "Average Difference" CB 25 1.127 0.040 1.150 19789 42 1 7 "Average Difference" HN 81 0.615 -0.156 0.598 19789 43 1 8 "Average Difference" N 81 2.826 -0.246 2.833 19789 44 1 8 "Average Difference" HA 37 0.289 0.078 0.282 19789 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19789 46 1 8 "Average Difference" CA 19 1.342 -0.717 1.166 19789 47 1 8 "Average Difference" CB 25 0.982 -0.099 0.998 19789 48 1 8 "Average Difference" HN 81 0.608 -0.129 0.598 19789 49 1 9 "Average Difference" N 81 3.018 -0.094 3.035 19789 50 1 9 "Average Difference" HA 37 0.300 0.083 0.292 19789 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19789 52 1 9 "Average Difference" CA 19 1.198 -0.505 1.117 19789 53 1 9 "Average Difference" CB 25 1.058 0.119 1.073 19789 54 1 9 "Average Difference" HN 81 0.557 -0.107 0.550 19789 55 1 10 "Average Difference" N 81 3.214 -0.060 3.234 19789 56 1 10 "Average Difference" HA 37 0.265 0.046 0.265 19789 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19789 58 1 10 "Average Difference" CA 19 1.162 -0.498 1.079 19789 59 1 10 "Average Difference" CB 25 1.079 0.150 1.090 19789 60 1 10 "Average Difference" HN 81 0.590 -0.127 0.580 19789 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 19789 _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 3 3 ASP N N 3 122.928 122.928 120.922 2.006 19789 2 1 . 1 1 3 3 ASP HA H 3 4.466 4.466 4.507 -0.041 19789 3 1 . 1 1 3 3 ASP H H 3 8.538 8.538 8.491 0.047 19789 4 1 . 1 1 4 4 ILE N N 4 119.305 119.305 120.229 -0.924 19789 5 1 . 1 1 4 4 ILE HA H 4 3.911 3.911 3.825 0.086 19789 6 1 . 1 1 4 4 ILE CA C 4 63.825 63.825 62.529 1.296 19789 7 1 . 1 1 4 4 ILE CB C 4 37.641 37.641 37.879 -0.238 19789 8 1 . 1 1 4 4 ILE H H 4 8.236 8.236 8.209 0.027 19789 9 1 . 1 1 5 5 TYR N N 5 120.903 120.903 117.454 3.449 19789 10 1 . 1 1 5 5 TYR H H 5 7.618 7.618 6.997 0.621 19789 11 1 . 1 1 6 6 LYS N N 6 120.946 120.946 120.868 0.078 19789 12 1 . 1 1 6 6 LYS H H 6 7.894 7.894 8.124 -0.230 19789 13 1 . 1 1 7 7 ALA N N 7 120.284 120.284 120.506 -0.222 19789 14 1 . 1 1 7 7 ALA CB C 7 18.003 18.003 18.307 -0.304 19789 15 1 . 1 1 7 7 ALA H H 7 7.934 7.934 7.411 0.523 19789 16 1 . 1 1 8 8 ALA N N 8 119.988 119.988 121.734 -1.746 19789 17 1 . 1 1 8 8 ALA CB C 8 18.400 18.400 18.381 0.019 19789 18 1 . 1 1 8 8 ALA H H 8 7.501 7.501 7.622 -0.121 19789 19 1 . 1 1 9 9 VAL N N 9 119.175 119.175 117.716 1.459 19789 20 1 . 1 1 9 9 VAL HA H 9 3.560 3.560 3.608 -0.048 19789 21 1 . 1 1 9 9 VAL CA C 9 66.376 66.376 65.826 0.550 19789 22 1 . 1 1 9 9 VAL CB C 9 31.756 31.756 31.457 0.299 19789 23 1 . 1 1 9 9 VAL H H 9 8.077 8.077 7.860 0.217 19789 24 1 . 1 1 10 10 GLU N N 10 118.387 118.387 118.059 0.329 19789 25 1 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.064 0.053 19789 26 1 . 1 1 10 10 GLU H H 10 7.802 7.802 7.640 0.162 19789 27 1 . 1 1 11 11 GLN N N 11 114.922 114.922 118.276 -3.354 19789 28 1 . 1 1 11 11 GLN H H 11 7.377 7.377 7.508 -0.131 19789 29 1 . 1 1 12 12 LEU N N 12 120.676 120.676 119.786 0.890 19789 30 1 . 1 1 12 12 LEU HA H 12 4.519 4.519 4.633 -0.114 19789 31 1 . 1 1 12 12 LEU CA C 12 55.203 55.203 53.895 1.308 19789 32 1 . 1 1 12 12 LEU CB C 12 43.094 43.094 44.167 -1.072 19789 33 1 . 1 1 12 12 LEU H H 12 7.388 7.388 7.250 0.138 19789 34 1 . 1 1 13 13 THR N N 13 113.723 113.723 115.203 -1.480 19789 35 1 . 1 1 13 13 THR HA H 13 4.438 4.438 4.569 -0.131 19789 36 1 . 1 1 13 13 THR CA C 13 60.944 60.944 60.309 0.635 19789 37 1 . 1 1 13 13 THR H H 13 8.875 8.875 8.211 0.664 19789 38 1 . 1 1 14 14 GLU N N 14 121.739 121.739 122.076 -0.337 19789 39 1 . 1 1 14 14 GLU H H 14 9.003 9.003 8.973 0.030 19789 40 1 . 1 1 15 15 GLU N N 15 117.808 117.808 118.539 -0.731 19789 41 1 . 1 1 15 15 GLU HA H 15 4.078 4.078 4.102 -0.024 19789 42 1 . 1 1 15 15 GLU H H 15 8.538 8.538 8.073 0.465 19789 43 1 . 1 1 16 16 GLN N N 16 119.080 119.080 117.891 1.189 19789 44 1 . 1 1 16 16 GLN HA H 16 3.907 3.907 4.210 -0.303 19789 45 1 . 1 1 16 16 GLN CA C 16 59.022 59.022 57.484 1.538 19789 46 1 . 1 1 16 16 GLN H H 16 7.875 7.875 7.945 -0.070 19789 47 1 . 1 1 17 17 LYS N N 17 118.934 118.934 121.100 -2.166 19789 48 1 . 1 1 17 17 LYS H H 17 8.650 8.650 7.975 0.675 19789 49 1 . 1 1 18 18 ASN HA H 18 4.557 4.557 4.452 0.105 19789 50 1 . 1 1 18 18 ASN CA C 18 56.041 56.041 56.030 0.011 19789 51 1 . 1 1 18 18 ASN CB C 18 37.848 37.848 38.382 -0.534 19789 52 1 . 1 1 19 19 GLU N N 19 123.449 123.449 118.568 4.881 19789 53 1 . 1 1 19 19 GLU HA H 19 4.182 4.182 4.175 0.007 19789 54 1 . 1 1 19 19 GLU CA C 19 60.157 60.157 58.665 1.493 19789 55 1 . 1 1 19 19 GLU CB C 19 29.385 29.385 30.015 -0.630 19789 56 1 . 1 1 19 19 GLU H H 19 8.131 8.131 8.286 -0.155 19789 57 1 . 1 1 20 20 PHE N N 20 117.873 117.873 120.304 -2.431 19789 58 1 . 1 1 20 20 PHE H H 20 8.645 8.645 8.019 0.626 19789 59 1 . 1 1 21 21 LYS N N 21 122.555 122.555 119.097 3.458 19789 60 1 . 1 1 21 21 LYS H H 21 8.781 8.781 8.738 0.043 19789 61 1 . 1 1 22 22 ALA N N 22 121.657 121.657 121.647 0.010 19789 62 1 . 1 1 22 22 ALA CB C 22 17.683 17.683 18.092 -0.409 19789 63 1 . 1 1 22 22 ALA H H 22 7.844 7.844 7.447 0.397 19789 64 1 . 1 1 23 23 ALA N N 23 119.044 119.044 121.908 -2.864 19789 65 1 . 1 1 23 23 ALA CB C 23 18.439 18.439 18.203 0.236 19789 66 1 . 1 1 23 23 ALA H H 23 8.141 8.141 7.619 0.522 19789 67 1 . 1 1 24 24 PHE N N 24 121.051 121.051 116.954 4.097 19789 68 1 . 1 1 24 24 PHE H H 24 8.942 8.942 8.002 0.940 19789 69 1 . 1 1 25 25 ASP N N 25 116.425 116.425 118.537 -2.112 19789 70 1 . 1 1 25 25 ASP H H 25 8.546 8.546 7.520 1.026 19789 71 1 . 1 1 26 26 ILE N N 26 119.584 119.584 120.543 -0.959 19789 72 1 . 1 1 26 26 ILE HA H 26 3.733 3.733 3.771 -0.038 19789 73 1 . 1 1 26 26 ILE CB C 26 37.861 37.861 38.051 -0.190 19789 74 1 . 1 1 26 26 ILE H H 26 7.314 7.314 7.427 -0.113 19789 75 1 . 1 1 27 27 PHE N N 27 120.837 120.837 118.379 2.458 19789 76 1 . 1 1 27 27 PHE H H 27 8.103 8.103 8.589 -0.486 19789 77 1 . 1 1 28 28 VAL N N 28 107.855 107.855 115.912 -8.057 19789 78 1 . 1 1 28 28 VAL HA H 28 3.999 3.999 4.380 -0.381 19789 79 1 . 1 1 28 28 VAL CA C 28 61.754 61.754 60.346 1.408 19789 80 1 . 1 1 28 28 VAL CB C 28 31.509 31.509 32.133 -0.624 19789 81 1 . 1 1 28 28 VAL H H 28 7.555 7.555 7.249 0.306 19789 82 1 . 1 1 29 29 LEU N N 29 125.187 125.187 124.686 0.501 19789 83 1 . 1 1 29 29 LEU CB C 29 41.403 41.403 40.379 1.024 19789 84 1 . 1 1 29 29 LEU H H 29 7.229 7.229 7.279 -0.050 19789 85 1 . 1 1 30 30 GLY N N 30 111.816 111.816 111.689 0.127 19789 86 1 . 1 1 30 30 GLY H H 30 8.799 8.799 8.050 0.749 19789 87 1 . 1 1 31 31 ALA N N 31 124.151 124.151 121.933 2.218 19789 88 1 . 1 1 31 31 ALA CB C 31 19.773 19.773 19.766 0.007 19789 89 1 . 1 1 31 31 ALA H H 31 7.946 7.946 7.571 0.376 19789 90 1 . 1 1 32 32 GLU N N 32 124.621 124.621 119.789 4.832 19789 91 1 . 1 1 32 32 GLU HA H 32 4.085 4.085 4.251 -0.165 19789 92 1 . 1 1 32 32 GLU H H 32 9.102 9.102 8.633 0.469 19789 93 1 . 1 1 33 33 ASP N N 33 115.935 115.935 118.066 -2.131 19789 94 1 . 1 1 33 33 ASP HA H 33 4.734 4.734 4.716 0.018 19789 95 1 . 1 1 33 33 ASP H H 33 8.199 8.199 8.391 -0.192 19789 96 1 . 1 1 34 34 GLY N N 34 105.713 105.713 108.876 -3.163 19789 97 1 . 1 1 34 34 GLY H H 34 7.653 7.653 8.248 -0.595 19789 98 1 . 1 1 35 35 CYS N N 35 113.447 113.447 116.877 -3.430 19789 99 1 . 1 1 35 35 CYS H H 35 7.621 7.621 7.715 -0.094 19789 100 1 . 1 1 36 36 ILE N N 36 119.384 119.384 117.895 1.489 19789 101 1 . 1 1 36 36 ILE HA H 36 3.866 3.866 4.324 -0.458 19789 102 1 . 1 1 36 36 ILE CB C 36 39.464 39.464 41.478 -2.014 19789 103 1 . 1 1 36 36 ILE H H 36 8.793 8.793 8.107 0.686 19789 104 1 . 1 1 37 37 SER N N 37 125.951 125.951 118.932 7.019 19789 105 1 . 1 1 37 37 SER H H 37 9.421 9.421 8.687 0.734 19789 106 1 . 1 1 38 38 THR N N 38 112.286 112.286 116.106 -3.820 19789 107 1 . 1 1 38 38 THR HA H 38 3.726 3.726 3.728 -0.002 19789 108 1 . 1 1 38 38 THR CA C 38 66.708 66.708 65.403 1.305 19789 109 1 . 1 1 38 38 THR H H 38 8.816 8.816 8.128 0.688 19789 110 1 . 1 1 39 39 LYS N N 39 122.672 122.672 121.035 1.637 19789 111 1 . 1 1 39 39 LYS H H 39 8.016 8.016 8.427 -0.411 19789 112 1 . 1 1 40 40 GLU N N 40 119.098 119.098 116.908 2.190 19789 113 1 . 1 1 40 40 GLU HA H 40 4.184 4.184 4.224 -0.040 19789 114 1 . 1 1 40 40 GLU H H 40 7.705 7.705 8.408 -0.703 19789 115 1 . 1 1 41 41 LEU N N 41 119.205 119.205 121.038 -1.833 19789 116 1 . 1 1 41 41 LEU HA H 41 4.110 4.110 3.700 0.410 19789 117 1 . 1 1 41 41 LEU CA C 41 57.688 57.688 57.647 0.041 19789 118 1 . 1 1 41 41 LEU CB C 41 42.510 42.510 41.439 1.071 19789 119 1 . 1 1 41 41 LEU H H 41 8.356 8.356 7.870 0.486 19789 120 1 . 1 1 42 42 GLY N N 42 105.741 105.741 105.740 0.000 19789 121 1 . 1 1 42 42 GLY H H 42 8.422 8.422 8.457 -0.035 19789 122 1 . 1 1 43 43 LYS N N 43 120.666 120.666 121.182 -0.516 19789 123 1 . 1 1 43 43 LYS H H 43 7.265 7.265 7.775 -0.510 19789 124 1 . 1 1 44 44 VAL N N 44 119.328 119.328 116.302 3.026 19789 125 1 . 1 1 44 44 VAL HA H 44 3.456 3.456 3.883 -0.427 19789 126 1 . 1 1 44 44 VAL CA C 44 66.387 66.387 65.444 0.943 19789 127 1 . 1 1 44 44 VAL CB C 44 31.636 31.636 31.269 0.367 19789 128 1 . 1 1 44 44 VAL H H 44 7.488 7.488 8.098 -0.610 19789 129 1 . 1 1 45 45 MET N N 45 116.122 116.122 120.506 -4.384 19789 130 1 . 1 1 45 45 MET HA H 45 4.171 4.171 4.010 0.161 19789 131 1 . 1 1 45 45 MET H H 45 8.357 8.357 7.446 0.911 19789 132 1 . 1 1 46 46 ARG N N 46 118.799 118.799 118.388 0.411 19789 133 1 . 1 1 46 46 ARG H H 46 8.115 8.115 7.708 0.407 19789 134 1 . 1 1 47 47 MET N N 47 122.183 122.183 116.453 5.731 19789 135 1 . 1 1 47 47 MET HA H 47 4.233 4.233 4.276 -0.043 19789 136 1 . 1 1 47 47 MET H H 47 7.866 7.866 7.758 0.108 19789 137 1 . 1 1 48 48 LEU N N 48 117.213 117.213 118.774 -1.561 19789 138 1 . 1 1 48 48 LEU HA H 48 4.357 4.357 4.217 0.140 19789 139 1 . 1 1 48 48 LEU CA C 48 54.678 54.678 55.596 -0.918 19789 140 1 . 1 1 48 48 LEU CB C 48 41.627 41.627 42.749 -1.122 19789 141 1 . 1 1 48 48 LEU H H 48 7.499 7.499 7.766 -0.267 19789 142 1 . 1 1 49 49 GLY N N 49 107.154 107.154 105.422 1.732 19789 143 1 . 1 1 49 49 GLY H H 49 7.841 7.841 7.815 0.026 19789 144 1 . 1 1 50 50 GLN N N 50 118.411 118.411 118.657 -0.246 19789 145 1 . 1 1 50 50 GLN H H 50 8.014 8.014 8.017 -0.003 19789 146 1 . 1 1 51 51 ASN N N 51 116.615 116.615 116.345 0.270 19789 147 1 . 1 1 51 51 ASN H H 51 8.716 8.716 8.538 0.178 19789 148 1 . 1 1 53 53 THR N N 53 113.821 113.821 113.255 0.566 19789 149 1 . 1 1 53 53 THR H H 53 8.801 8.801 8.317 0.484 19789 150 1 . 1 1 55 55 GLU N N 55 117.313 117.313 118.501 -1.188 19789 151 1 . 1 1 55 55 GLU HA H 55 4.022 4.022 4.216 -0.194 19789 152 1 . 1 1 55 55 GLU H H 55 8.751 8.751 8.527 0.225 19789 153 1 . 1 1 56 56 GLU N N 56 121.618 121.618 119.184 2.433 19789 154 1 . 1 1 56 56 GLU HA H 56 3.998 3.998 4.287 -0.289 19789 155 1 . 1 1 56 56 GLU H H 56 7.803 7.803 7.579 0.224 19789 156 1 . 1 1 57 57 LEU N N 57 119.131 119.131 121.500 -2.369 19789 157 1 . 1 1 57 57 LEU HA H 57 4.048 4.048 3.867 0.181 19789 158 1 . 1 1 57 57 LEU CA C 57 57.847 57.847 58.295 -0.448 19789 159 1 . 1 1 57 57 LEU CB C 57 42.643 42.643 41.552 1.091 19789 160 1 . 1 1 57 57 LEU H H 57 8.179 8.179 8.637 -0.458 19789 161 1 . 1 1 58 58 GLN N N 58 117.777 117.777 117.718 0.059 19789 162 1 . 1 1 58 58 GLN H H 58 7.945 7.945 8.288 -0.343 19789 163 1 . 1 1 59 59 GLU N N 59 119.087 119.087 120.397 -1.310 19789 164 1 . 1 1 59 59 GLU HA H 59 4.047 4.047 3.966 0.081 19789 165 1 . 1 1 59 59 GLU H H 59 7.887 7.887 8.786 -0.899 19789 166 1 . 1 1 60 60 MET N N 60 117.618 117.618 114.557 3.061 19789 167 1 . 1 1 60 60 MET HA H 60 3.921 3.921 4.327 -0.406 19789 168 1 . 1 1 60 60 MET H H 60 7.702 7.702 8.350 -0.648 19789 169 1 . 1 1 61 61 ILE N N 61 118.070 118.070 116.154 1.916 19789 170 1 . 1 1 61 61 ILE HA H 61 3.347 3.347 4.090 -0.743 19789 171 1 . 1 1 61 61 ILE CA C 61 64.857 64.857 62.665 2.192 19789 172 1 . 1 1 61 61 ILE CB C 61 37.414 37.414 39.440 -2.026 19789 173 1 . 1 1 61 61 ILE H H 61 7.358 7.358 7.747 -0.389 19789 174 1 . 1 1 62 62 ASP N N 62 119.384 119.384 121.319 -1.935 19789 175 1 . 1 1 62 62 ASP H H 62 8.683 8.683 8.881 -0.198 19789 176 1 . 1 1 63 63 GLU N N 63 115.866 115.866 118.593 -2.727 19789 177 1 . 1 1 63 63 GLU HA H 63 4.030 4.030 4.153 -0.123 19789 178 1 . 1 1 63 63 GLU H H 63 7.612 7.612 7.964 -0.352 19789 179 1 . 1 1 64 64 VAL N N 64 107.501 107.501 111.451 -3.950 19789 180 1 . 1 1 64 64 VAL HA H 64 4.545 4.545 4.361 0.184 19789 181 1 . 1 1 64 64 VAL CA C 64 61.051 61.051 60.404 0.647 19789 182 1 . 1 1 64 64 VAL CB C 64 32.382 32.382 31.949 0.433 19789 183 1 . 1 1 64 64 VAL H H 64 7.239 7.239 7.332 -0.093 19789 184 1 . 1 1 65 65 ASP N N 65 121.745 121.745 122.378 -0.633 19789 185 1 . 1 1 65 65 ASP H H 65 7.584 7.584 7.810 -0.226 19789 186 1 . 1 1 66 66 GLU N N 66 128.227 128.227 122.264 5.963 19789 187 1 . 1 1 66 66 GLU HA H 66 4.186 4.186 4.320 -0.134 19789 188 1 . 1 1 66 66 GLU H H 66 8.633 8.633 8.494 0.139 19789 189 1 . 1 1 67 67 ASP N N 67 114.509 114.509 118.124 -3.615 19789 190 1 . 1 1 67 67 ASP H H 67 7.967 7.967 8.240 -0.273 19789 191 1 . 1 1 68 68 GLY N N 68 108.897 108.897 109.423 -0.526 19789 192 1 . 1 1 68 68 GLY H H 68 7.765 7.765 8.586 -0.822 19789 193 1 . 1 1 69 69 SER N N 69 116.480 116.480 116.629 -0.149 19789 194 1 . 1 1 69 69 SER H H 69 8.452 8.452 8.653 -0.201 19789 195 1 . 1 1 70 70 GLY N N 70 116.525 116.525 110.230 6.295 19789 196 1 . 1 1 70 70 GLY H H 70 10.847 10.847 8.245 2.602 19789 197 1 . 1 1 71 71 THR N N 71 107.688 107.688 115.096 -7.408 19789 198 1 . 1 1 71 71 THR HA H 71 4.914 4.914 4.933 -0.019 19789 199 1 . 1 1 71 71 THR CA C 71 58.346 58.346 60.377 -2.031 19789 200 1 . 1 1 71 71 THR CB C 71 73.760 73.760 71.353 2.407 19789 201 1 . 1 1 71 71 THR H H 71 7.664 7.664 7.533 0.131 19789 202 1 . 1 1 72 72 VAL N N 72 126.813 126.813 121.691 5.122 19789 203 1 . 1 1 72 72 VAL HA H 72 5.085 5.085 4.709 0.376 19789 204 1 . 1 1 72 72 VAL CB C 72 33.580 33.580 34.093 -0.513 19789 205 1 . 1 1 72 72 VAL H H 72 9.792 9.792 7.885 1.907 19789 206 1 . 1 1 73 73 ASP N N 73 128.665 128.665 121.314 7.351 19789 207 1 . 1 1 73 73 ASP H H 73 8.746 8.746 8.075 0.671 19789 208 1 . 1 1 74 74 PHE N N 74 118.267 118.267 118.236 0.031 19789 209 1 . 1 1 74 74 PHE H H 74 8.577 8.577 9.162 -0.585 19789 210 1 . 1 1 75 75 ASP N N 75 117.261 117.261 118.922 -1.661 19789 211 1 . 1 1 75 75 ASP H H 75 7.654 7.654 7.779 -0.125 19789 212 1 . 1 1 76 76 GLU N N 76 120.396 120.396 121.068 -0.672 19789 213 1 . 1 1 76 76 GLU HA H 76 4.027 4.027 4.130 -0.104 19789 214 1 . 1 1 76 76 GLU H H 76 8.169 8.169 7.980 0.189 19789 215 1 . 1 1 77 77 PHE N N 77 122.823 122.823 120.974 1.849 19789 216 1 . 1 1 77 77 PHE H H 77 8.984 8.984 9.010 -0.026 19789 217 1 . 1 1 78 78 LEU N N 78 118.595 118.595 118.816 -0.221 19789 218 1 . 1 1 78 78 LEU HA H 78 3.287 3.287 3.853 -0.566 19789 219 1 . 1 1 78 78 LEU CA C 78 58.115 58.115 57.983 0.132 19789 220 1 . 1 1 78 78 LEU CB C 78 41.353 41.353 41.382 -0.029 19789 221 1 . 1 1 78 78 LEU H H 78 7.950 7.950 7.749 0.201 19789 222 1 . 1 1 79 79 VAL N N 79 118.101 118.101 118.504 -0.403 19789 223 1 . 1 1 79 79 VAL HA H 79 3.248 3.248 3.589 -0.341 19789 224 1 . 1 1 79 79 VAL CA C 79 66.900 66.900 66.514 0.386 19789 225 1 . 1 1 79 79 VAL CB C 79 30.899 30.899 31.437 -0.538 19789 226 1 . 1 1 79 79 VAL H H 79 6.947 6.947 7.494 -0.547 19789 227 1 . 1 1 80 80 MET N N 80 119.853 119.853 117.212 2.641 19789 228 1 . 1 1 80 80 MET H H 80 7.952 7.952 7.825 0.127 19789 229 1 . 1 1 81 81 MET N N 81 117.448 117.448 116.395 1.053 19789 230 1 . 1 1 81 81 MET H H 81 8.110 8.110 7.886 0.224 19789 231 1 . 1 1 82 82 VAL N N 82 117.627 117.627 120.629 -3.002 19789 232 1 . 1 1 82 82 VAL HA H 82 3.962 3.962 3.624 0.338 19789 233 1 . 1 1 82 82 VAL CA C 82 66.067 66.067 66.229 -0.162 19789 234 1 . 1 1 82 82 VAL CB C 82 31.142 31.142 31.388 -0.246 19789 235 1 . 1 1 82 82 VAL H H 82 8.183 8.183 7.517 0.666 19789 236 1 . 1 1 83 83 ARG N N 83 120.495 120.495 119.261 1.234 19789 237 1 . 1 1 83 83 ARG H H 83 8.169 8.169 8.277 -0.107 19789 238 1 . 1 1 84 84 CYS N N 84 113.519 113.519 116.320 -2.801 19789 239 1 . 1 1 84 84 CYS H H 84 7.507 7.507 7.683 -0.176 19789 240 1 . 1 1 85 85 MET N N 85 120.618 120.618 121.165 -0.547 19789 241 1 . 1 1 85 85 MET H H 85 7.661 7.661 7.573 0.088 19789 242 1 . 1 1 86 86 LYS N N 86 120.147 120.147 118.274 1.873 19789 243 1 . 1 1 86 86 LYS H H 86 7.779 7.779 8.032 -0.253 19789 stop_ save_