data_25536 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25536 _Entry.PDB_ID 2N0U 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 25536 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 24 24 ILE N N 24 120.668 120.668 121.842 -1.174 25536 2 1 1 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.995 0.152 25536 3 1 1 . 1 1 24 24 ILE C C 24 175.650 175.650 175.933 -0.283 25536 4 1 1 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.094 -0.752 25536 5 1 1 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.238 0.829 25536 6 1 1 . 1 1 24 24 ILE H H 24 8.119 8.119 8.699 -0.580 25536 7 1 1 . 1 1 25 25 ASN N N 25 122.032 122.032 115.896 6.136 25536 8 1 1 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.365 0.339 25536 9 1 1 . 1 1 25 25 ASN C C 25 174.775 174.775 173.889 0.886 25536 10 1 1 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.610 0.120 25536 11 1 1 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.420 1.986 25536 12 1 1 . 1 1 25 25 ASN H H 25 8.446 8.446 8.666 -0.220 25536 13 1 1 . 1 1 26 26 GLN N N 26 118.655 118.655 117.385 1.270 25536 14 1 1 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.764 -0.177 25536 15 1 1 . 1 1 26 26 GLN C C 26 175.291 175.291 174.282 1.009 25536 16 1 1 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.772 0.930 25536 17 1 1 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.284 -0.026 25536 18 1 1 . 1 1 26 26 GLN H H 26 8.215 8.215 7.738 0.477 25536 19 1 1 . 1 1 27 27 VAL N N 27 113.749 113.749 120.752 -7.003 25536 20 1 1 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.280 0.587 25536 21 1 1 . 1 1 27 27 VAL C C 27 173.900 173.900 174.750 -0.850 25536 22 1 1 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.836 -1.720 25536 23 1 1 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.789 2.315 25536 24 1 1 . 1 1 27 27 VAL H H 27 9.417 9.417 8.407 1.010 25536 25 1 1 . 1 1 28 28 ARG N N 28 121.515 121.515 125.910 -4.395 25536 26 1 1 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.075 0.382 25536 27 1 1 . 1 1 28 28 ARG C C 28 175.090 175.090 175.108 -0.018 25536 28 1 1 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.501 -0.930 25536 29 1 1 . 1 1 28 28 ARG CB C 28 33.674 33.674 31.197 2.478 25536 30 1 1 . 1 1 28 28 ARG H H 28 8.901 8.901 8.584 0.317 25536 31 1 1 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.440 0.555 25536 32 1 1 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.342 -0.290 25536 33 1 1 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.856 -0.595 25536 34 1 1 . 1 1 30 30 LYS N N 30 121.291 121.291 119.415 1.876 25536 35 1 1 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.144 0.057 25536 36 1 1 . 1 1 30 30 LYS C C 30 177.557 177.557 178.492 -0.935 25536 37 1 1 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.132 1.590 25536 38 1 1 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.541 0.454 25536 39 1 1 . 1 1 30 30 LYS H H 30 8.476 8.476 8.513 -0.037 25536 40 1 1 . 1 1 31 31 LEU N N 31 121.578 121.578 123.560 -1.982 25536 41 1 1 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.107 -0.052 25536 42 1 1 . 1 1 31 31 LEU C C 31 174.261 174.261 176.874 -2.613 25536 43 1 1 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.893 0.303 25536 44 1 1 . 1 1 31 31 LEU CB C 31 39.850 39.850 38.605 1.245 25536 45 1 1 . 1 1 31 31 LEU H H 31 8.584 8.584 8.890 -0.306 25536 46 1 1 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.235 -0.102 25536 47 1 1 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.671 0.907 25536 48 1 1 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.256 0.221 25536 49 1 1 . 1 1 33 33 LEU N N 33 113.190 113.190 119.448 -6.258 25536 50 1 1 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.250 -0.275 25536 51 1 1 . 1 1 33 33 LEU C C 33 177.726 177.726 178.059 -0.333 25536 52 1 1 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.360 -0.220 25536 53 1 1 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.398 0.449 25536 54 1 1 . 1 1 33 33 LEU H H 33 6.605 6.605 7.582 -0.977 25536 55 1 1 . 1 1 34 34 LEU N N 34 121.683 121.683 120.890 0.793 25536 56 1 1 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.878 -0.496 25536 57 1 1 . 1 1 34 34 LEU C C 34 177.321 177.321 178.654 -1.333 25536 58 1 1 . 1 1 34 34 LEU CA C 34 58.237 58.237 58.227 0.010 25536 59 1 1 . 1 1 34 34 LEU CB C 34 41.911 41.911 40.847 1.064 25536 60 1 1 . 1 1 34 34 LEU H H 34 8.399 8.399 8.721 -0.322 25536 61 1 1 . 1 1 35 35 LYS N N 35 114.524 114.524 118.755 -4.231 25536 62 1 1 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.985 -0.192 25536 63 1 1 . 1 1 35 35 LYS C C 35 180.207 180.207 178.902 1.305 25536 64 1 1 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.504 0.567 25536 65 1 1 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.935 0.534 25536 66 1 1 . 1 1 35 35 LYS H H 35 7.940 7.940 8.278 -0.338 25536 67 1 1 . 1 1 36 36 ILE N N 36 119.857 119.857 119.536 0.321 25536 68 1 1 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.630 -0.326 25536 69 1 1 . 1 1 36 36 ILE C C 36 176.418 176.418 177.873 -1.455 25536 70 1 1 . 1 1 36 36 ILE CA C 36 64.480 64.480 63.651 0.829 25536 71 1 1 . 1 1 36 36 ILE CB C 36 37.604 37.604 36.654 0.950 25536 72 1 1 . 1 1 36 36 ILE H H 36 6.742 6.742 7.405 -0.663 25536 73 1 1 . 1 1 37 37 LEU N N 37 116.695 116.695 119.592 -2.897 25536 74 1 1 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.891 -0.369 25536 75 1 1 . 1 1 37 37 LEU C C 37 180.263 180.263 179.616 0.647 25536 76 1 1 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.051 0.229 25536 77 1 1 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.723 -1.585 25536 78 1 1 . 1 1 37 37 LEU H H 37 7.595 7.595 7.649 -0.054 25536 79 1 1 . 1 1 38 38 HIS N N 38 117.829 117.829 117.979 -0.150 25536 80 1 1 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.225 0.457 25536 81 1 1 . 1 1 38 38 HIS C C 38 180.133 180.133 178.088 2.045 25536 82 1 1 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.804 -1.513 25536 83 1 1 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.290 1.121 25536 84 1 1 . 1 1 38 38 HIS H H 38 8.955 8.955 8.752 0.203 25536 85 1 1 . 1 1 39 39 ALA N N 39 124.006 124.006 121.818 2.188 25536 86 1 1 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.215 0.031 25536 87 1 1 . 1 1 39 39 ALA C C 39 178.835 178.835 178.576 0.259 25536 88 1 1 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.534 0.551 25536 89 1 1 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.463 -0.352 25536 90 1 1 . 1 1 39 39 ALA H H 39 7.945 7.945 8.338 -0.393 25536 91 1 1 . 1 1 40 40 ALA N N 40 118.201 118.201 119.179 -0.978 25536 92 1 1 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.393 0.028 25536 93 1 1 . 1 1 40 40 ALA C C 40 176.261 176.261 178.046 -1.785 25536 94 1 1 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.573 -0.437 25536 95 1 1 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.162 0.950 25536 96 1 1 . 1 1 40 40 ALA H H 40 7.665 7.665 7.721 -0.056 25536 97 1 1 . 1 1 41 41 GLY N N 41 103.920 103.920 107.456 -3.536 25536 98 1 1 . 1 1 41 41 GLY C C 41 174.412 174.412 174.281 0.131 25536 99 1 1 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.708 0.259 25536 100 1 1 . 1 1 41 41 GLY H H 41 7.683 7.683 7.688 -0.005 25536 101 1 1 . 1 1 42 42 ALA N N 42 123.582 123.582 121.953 1.629 25536 102 1 1 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.363 0.272 25536 103 1 1 . 1 1 42 42 ALA C C 42 175.772 175.772 177.227 -1.455 25536 104 1 1 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.719 0.961 25536 105 1 1 . 1 1 42 42 ALA CB C 42 19.356 19.356 18.860 0.496 25536 106 1 1 . 1 1 42 42 ALA H H 42 7.578 7.578 7.531 0.047 25536 107 1 1 . 1 1 43 43 GLN N N 43 116.996 116.996 123.934 -6.938 25536 108 1 1 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.465 -0.116 25536 109 1 1 . 1 1 43 43 GLN C C 43 175.528 175.528 175.712 -0.184 25536 110 1 1 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.572 -0.921 25536 111 1 1 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.075 3.339 25536 112 1 1 . 1 1 43 43 GLN H H 43 8.481 8.481 8.403 0.078 25536 113 1 1 . 1 1 44 44 GLY N N 44 108.128 108.128 106.583 1.545 25536 114 1 1 . 1 1 44 44 GLY C C 44 173.892 173.892 172.476 1.416 25536 115 1 1 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.338 -0.640 25536 116 1 1 . 1 1 44 44 GLY H H 44 8.510 8.510 7.825 0.685 25536 117 1 1 . 1 1 45 45 GLU N N 45 114.113 114.113 119.277 -5.164 25536 118 1 1 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.434 0.174 25536 119 1 1 . 1 1 45 45 GLU C C 45 174.007 174.007 174.462 -0.455 25536 120 1 1 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.715 1.114 25536 121 1 1 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.316 1.735 25536 122 1 1 . 1 1 45 45 GLU H H 45 8.245 8.245 8.275 -0.030 25536 123 1 1 . 1 1 46 46 MET N N 46 115.322 115.322 117.768 -2.446 25536 124 1 1 . 1 1 46 46 MET HA H 46 5.051 5.051 4.333 0.718 25536 125 1 1 . 1 1 46 46 MET C C 46 174.637 174.637 173.985 0.652 25536 126 1 1 . 1 1 46 46 MET CA C 46 54.264 54.264 54.285 -0.021 25536 127 1 1 . 1 1 46 46 MET CB C 46 35.854 35.854 34.697 1.157 25536 128 1 1 . 1 1 46 46 MET H H 46 6.872 6.872 6.906 -0.034 25536 129 1 1 . 1 1 47 47 PHE N N 47 119.008 119.008 118.473 0.535 25536 130 1 1 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.150 -0.056 25536 131 1 1 . 1 1 47 47 PHE C C 47 175.742 175.742 174.836 0.906 25536 132 1 1 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.995 1.343 25536 133 1 1 . 1 1 47 47 PHE CB C 47 46.912 46.912 40.922 5.990 25536 134 1 1 . 1 1 47 47 PHE H H 47 8.623 8.623 8.921 -0.298 25536 135 1 1 . 1 1 48 48 THR N N 48 110.544 110.544 111.841 -1.297 25536 136 1 1 . 1 1 48 48 THR HA H 48 4.990 4.990 4.668 0.322 25536 137 1 1 . 1 1 48 48 THR C C 48 176.666 176.666 175.945 0.721 25536 138 1 1 . 1 1 48 48 THR CA C 48 61.095 61.095 60.070 1.025 25536 139 1 1 . 1 1 48 48 THR CB C 48 71.136 71.136 71.023 0.113 25536 140 1 1 . 1 1 48 48 THR H H 48 9.108 9.108 9.284 -0.176 25536 141 1 1 . 1 1 49 49 VAL N N 49 121.588 121.588 121.313 0.275 25536 142 1 1 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.542 -0.161 25536 143 1 1 . 1 1 49 49 VAL C C 49 177.726 177.726 177.526 0.200 25536 144 1 1 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.155 1.086 25536 145 1 1 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.533 0.022 25536 146 1 1 . 1 1 49 49 VAL H H 49 9.044 9.044 9.051 -0.007 25536 147 1 1 . 1 1 50 50 LYS N N 50 118.341 118.341 116.563 1.778 25536 148 1 1 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.062 -0.103 25536 149 1 1 . 1 1 50 50 LYS C C 50 180.060 180.060 177.984 2.076 25536 150 1 1 . 1 1 50 50 LYS CA C 50 60.356 60.356 58.774 1.582 25536 151 1 1 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.687 1.152 25536 152 1 1 . 1 1 50 50 LYS H H 50 8.132 8.132 8.461 -0.329 25536 153 1 1 . 1 1 51 51 GLU N N 51 119.521 119.521 120.189 -0.668 25536 154 1 1 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.942 0.104 25536 155 1 1 . 1 1 51 51 GLU C C 51 178.583 178.583 178.472 0.111 25536 156 1 1 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.971 0.932 25536 157 1 1 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.110 1.346 25536 158 1 1 . 1 1 51 51 GLU H H 51 7.877 7.877 7.427 0.450 25536 159 1 1 . 1 1 52 52 VAL N N 52 119.044 119.044 117.421 1.623 25536 160 1 1 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.486 -0.236 25536 161 1 1 . 1 1 52 52 VAL C C 52 177.546 177.546 178.072 -0.526 25536 162 1 1 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.680 2.221 25536 163 1 1 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.720 -0.343 25536 164 1 1 . 1 1 52 52 VAL H H 52 8.245 8.245 8.461 -0.216 25536 165 1 1 . 1 1 53 53 MET N N 53 114.669 114.669 116.472 -1.803 25536 166 1 1 . 1 1 53 53 MET HA H 53 4.198 4.198 4.120 0.078 25536 167 1 1 . 1 1 53 53 MET C C 53 178.699 178.699 177.343 1.356 25536 168 1 1 . 1 1 53 53 MET CA C 53 57.748 57.748 57.309 0.439 25536 169 1 1 . 1 1 53 53 MET CB C 53 32.680 32.680 31.279 1.401 25536 170 1 1 . 1 1 53 53 MET H H 53 8.188 8.188 8.098 0.090 25536 171 1 1 . 1 1 54 54 HIS N N 54 118.909 118.909 120.616 -1.707 25536 172 1 1 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.168 -0.051 25536 173 1 1 . 1 1 54 54 HIS C C 54 178.675 178.675 177.005 1.670 25536 174 1 1 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.413 -0.142 25536 175 1 1 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.779 0.819 25536 176 1 1 . 1 1 54 54 HIS H H 54 8.091 8.091 7.441 0.650 25536 177 1 1 . 1 1 55 55 TYR N N 55 116.769 116.769 116.945 -0.176 25536 178 1 1 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.195 -0.343 25536 179 1 1 . 1 1 55 55 TYR C C 55 177.794 177.794 177.840 -0.046 25536 180 1 1 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.766 2.951 25536 181 1 1 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.157 1.972 25536 182 1 1 . 1 1 55 55 TYR H H 55 8.468 8.468 7.399 1.069 25536 183 1 1 . 1 1 56 56 LEU N N 56 120.819 120.819 120.213 0.606 25536 184 1 1 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.929 -0.120 25536 185 1 1 . 1 1 56 56 LEU C C 56 178.484 178.484 179.095 -0.611 25536 186 1 1 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.533 1.089 25536 187 1 1 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.147 1.435 25536 188 1 1 . 1 1 56 56 LEU H H 56 8.455 8.455 7.331 1.124 25536 189 1 1 . 1 1 57 57 GLY N N 57 104.896 104.896 106.978 -2.082 25536 190 1 1 . 1 1 57 57 GLY C C 57 175.647 175.647 175.754 -0.107 25536 191 1 1 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.232 0.007 25536 192 1 1 . 1 1 57 57 GLY H H 57 7.691 7.691 7.863 -0.172 25536 193 1 1 . 1 1 58 58 GLN N N 58 119.080 119.080 121.940 -2.860 25536 194 1 1 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.975 -0.163 25536 195 1 1 . 1 1 58 58 GLN C C 58 177.429 177.429 177.772 -0.343 25536 196 1 1 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.550 0.128 25536 197 1 1 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.333 0.542 25536 198 1 1 . 1 1 58 58 GLN H H 58 7.704 7.704 7.846 -0.142 25536 199 1 1 . 1 1 59 59 TYR N N 59 120.995 120.995 122.402 -1.407 25536 200 1 1 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.185 -0.381 25536 201 1 1 . 1 1 59 59 TYR C C 59 176.215 176.215 177.572 -1.357 25536 202 1 1 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.205 0.360 25536 203 1 1 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.680 -0.061 25536 204 1 1 . 1 1 59 59 TYR H H 59 8.500 8.500 8.202 0.298 25536 205 1 1 . 1 1 60 60 ILE N N 60 116.532 116.532 119.410 -2.878 25536 206 1 1 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.625 -0.322 25536 207 1 1 . 1 1 60 60 ILE C C 60 177.952 177.952 178.223 -0.271 25536 208 1 1 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.374 0.173 25536 209 1 1 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.073 0.358 25536 210 1 1 . 1 1 60 60 ILE H H 60 7.585 7.585 8.706 -1.121 25536 211 1 1 . 1 1 61 61 MET N N 61 115.556 115.556 119.371 -3.815 25536 212 1 1 . 1 1 61 61 MET HA H 61 4.547 4.547 4.348 0.199 25536 213 1 1 . 1 1 61 61 MET C C 61 180.579 180.579 177.939 2.640 25536 214 1 1 . 1 1 61 61 MET CA C 61 57.563 57.563 58.331 -0.768 25536 215 1 1 . 1 1 61 61 MET CB C 61 31.473 31.473 32.556 -1.083 25536 216 1 1 . 1 1 61 61 MET H H 61 7.707 7.707 8.007 -0.300 25536 217 1 1 . 1 1 62 62 VAL N N 62 120.872 120.872 119.324 1.548 25536 218 1 1 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.666 0.162 25536 219 1 1 . 1 1 62 62 VAL C C 62 178.786 178.786 177.708 1.078 25536 220 1 1 . 1 1 62 62 VAL CA C 62 66.112 66.112 65.050 1.062 25536 221 1 1 . 1 1 62 62 VAL CB C 62 31.991 31.991 31.857 0.134 25536 222 1 1 . 1 1 62 62 VAL H H 62 9.009 9.009 8.226 0.783 25536 223 1 1 . 1 1 63 63 LYS N N 63 116.652 116.652 117.267 -0.615 25536 224 1 1 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.098 -0.041 25536 225 1 1 . 1 1 63 63 LYS C C 63 174.784 174.784 176.039 -1.255 25536 226 1 1 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.652 0.431 25536 227 1 1 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.037 -0.576 25536 228 1 1 . 1 1 63 63 LYS H H 63 7.812 7.812 8.148 -0.336 25536 229 1 1 . 1 1 64 64 GLN N N 64 115.445 115.445 114.922 0.523 25536 230 1 1 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.711 -0.105 25536 231 1 1 . 1 1 64 64 GLN C C 64 175.550 175.550 174.944 0.606 25536 232 1 1 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.291 0.688 25536 233 1 1 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.297 0.951 25536 234 1 1 . 1 1 64 64 GLN H H 64 7.642 7.642 7.993 -0.351 25536 235 1 1 . 1 1 65 65 LEU N N 65 115.724 115.724 116.844 -1.120 25536 236 1 1 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.304 0.153 25536 237 1 1 . 1 1 65 65 LEU C C 65 175.979 175.979 176.664 -0.685 25536 238 1 1 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.409 0.245 25536 239 1 1 . 1 1 65 65 LEU CB C 65 41.950 41.950 42.279 -0.329 25536 240 1 1 . 1 1 65 65 LEU H H 65 8.097 8.097 7.336 0.761 25536 241 1 1 . 1 1 66 66 TYR N N 66 112.953 112.953 114.907 -1.954 25536 242 1 1 . 1 1 66 66 TYR HA H 66 5.292 5.292 4.866 0.426 25536 243 1 1 . 1 1 66 66 TYR C C 66 173.941 173.941 175.572 -1.631 25536 244 1 1 . 1 1 66 66 TYR CA C 66 54.629 54.629 54.606 0.023 25536 245 1 1 . 1 1 66 66 TYR CB C 66 39.748 39.748 39.366 0.382 25536 246 1 1 . 1 1 66 66 TYR H H 66 6.856 6.856 6.591 0.265 25536 247 1 1 . 1 1 67 67 ASP N N 67 122.196 122.196 120.824 1.372 25536 248 1 1 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.730 -0.292 25536 249 1 1 . 1 1 67 67 ASP C C 67 176.779 176.779 177.641 -0.862 25536 250 1 1 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.533 0.447 25536 251 1 1 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.661 -0.129 25536 252 1 1 . 1 1 67 67 ASP H H 67 8.324 8.324 8.351 -0.027 25536 253 1 1 . 1 1 68 68 GLN N N 68 123.042 123.042 122.955 0.087 25536 254 1 1 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.179 -0.293 25536 255 1 1 . 1 1 68 68 GLN C C 68 177.122 177.122 177.246 -0.124 25536 256 1 1 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.664 0.366 25536 257 1 1 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.750 0.337 25536 258 1 1 . 1 1 68 68 GLN H H 68 8.563 8.563 8.724 -0.161 25536 259 1 1 . 1 1 69 69 GLN N N 69 115.263 115.263 117.679 -2.416 25536 260 1 1 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.257 0.100 25536 261 1 1 . 1 1 69 69 GLN C C 69 176.272 176.272 176.018 0.254 25536 262 1 1 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.034 0.095 25536 263 1 1 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.859 0.265 25536 264 1 1 . 1 1 69 69 GLN H H 69 8.356 8.356 7.983 0.373 25536 265 1 1 . 1 1 70 70 GLU N N 70 122.549 122.549 118.117 4.432 25536 266 1 1 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.429 0.090 25536 267 1 1 . 1 1 70 70 GLU C C 70 175.953 175.953 175.884 0.069 25536 268 1 1 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.415 -0.458 25536 269 1 1 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.627 -0.067 25536 270 1 1 . 1 1 70 70 GLU H H 70 8.227 8.227 8.162 0.065 25536 271 1 1 . 1 1 71 71 GLN N N 71 118.815 118.815 122.027 -3.212 25536 272 1 1 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.912 0.640 25536 273 1 1 . 1 1 71 71 GLN C C 71 174.842 174.842 176.409 -1.567 25536 274 1 1 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.262 1.435 25536 275 1 1 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.483 -0.553 25536 276 1 1 . 1 1 71 71 GLN H H 71 8.253 8.253 8.757 -0.504 25536 277 1 1 . 1 1 72 72 HIS N N 72 111.141 111.141 110.926 0.215 25536 278 1 1 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.518 -0.345 25536 279 1 1 . 1 1 72 72 HIS C C 72 173.749 173.749 174.400 -0.651 25536 280 1 1 . 1 1 72 72 HIS CA C 72 56.259 56.259 54.955 1.304 25536 281 1 1 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.505 1.567 25536 282 1 1 . 1 1 72 72 HIS H H 72 7.412 7.412 7.472 -0.060 25536 283 1 1 . 1 1 73 73 MET N N 73 119.350 119.350 121.400 -2.050 25536 284 1 1 . 1 1 73 73 MET HA H 73 4.584 4.584 4.500 0.084 25536 285 1 1 . 1 1 73 73 MET C C 73 174.311 174.311 173.889 0.422 25536 286 1 1 . 1 1 73 73 MET CA C 73 53.186 53.186 53.915 -0.729 25536 287 1 1 . 1 1 73 73 MET CB C 73 31.731 31.731 33.897 -2.166 25536 288 1 1 . 1 1 73 73 MET H H 73 7.766 7.766 7.449 0.317 25536 289 1 1 . 1 1 74 74 VAL N N 74 122.542 122.542 126.728 -4.186 25536 290 1 1 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.072 -0.124 25536 291 1 1 . 1 1 74 74 VAL C C 74 174.756 174.756 173.891 0.865 25536 292 1 1 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.912 0.710 25536 293 1 1 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.626 0.188 25536 294 1 1 . 1 1 74 74 VAL H H 74 8.456 8.456 8.519 -0.063 25536 295 1 1 . 1 1 75 75 TYR N N 75 125.680 125.680 125.296 0.384 25536 296 1 1 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.130 -0.371 25536 297 1 1 . 1 1 75 75 TYR C C 75 174.923 174.923 175.441 -0.518 25536 298 1 1 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.052 0.760 25536 299 1 1 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.434 0.414 25536 300 1 1 . 1 1 75 75 TYR H H 75 8.213 8.213 8.937 -0.724 25536 301 1 1 . 1 1 76 76 CYS N N 76 116.702 116.702 120.511 -3.809 25536 302 1 1 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.540 0.199 25536 303 1 1 . 1 1 76 76 CYS C C 76 174.231 174.231 175.571 -1.340 25536 304 1 1 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.895 -2.792 25536 305 1 1 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.277 2.420 25536 306 1 1 . 1 1 76 76 CYS H H 76 8.307 8.307 8.577 -0.270 25536 307 1 1 . 1 1 77 77 GLY N N 77 111.569 111.569 109.109 2.460 25536 308 1 1 . 1 1 77 77 GLY C C 77 174.662 174.662 174.945 -0.283 25536 309 1 1 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.523 0.626 25536 310 1 1 . 1 1 77 77 GLY H H 77 8.484 8.484 7.763 0.721 25536 311 1 1 . 1 1 78 78 GLY N N 78 113.022 113.022 113.107 -0.085 25536 312 1 1 . 1 1 78 78 GLY C C 78 172.811 172.811 173.912 -1.101 25536 313 1 1 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.748 1.012 25536 314 1 1 . 1 1 78 78 GLY H H 78 8.889 8.889 8.512 0.377 25536 315 1 1 . 1 1 79 79 ASP N N 79 119.431 119.431 119.757 -0.326 25536 316 1 1 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.833 0.055 25536 317 1 1 . 1 1 79 79 ASP C C 79 176.302 176.302 176.731 -0.429 25536 318 1 1 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.431 -0.338 25536 319 1 1 . 1 1 79 79 ASP CB C 79 47.264 47.264 43.033 4.231 25536 320 1 1 . 1 1 79 79 ASP H H 79 7.789 7.789 7.884 -0.095 25536 321 1 1 . 1 1 80 80 LEU N N 80 128.421 128.421 125.160 3.261 25536 322 1 1 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.279 -0.214 25536 323 1 1 . 1 1 80 80 LEU C C 80 179.059 179.059 178.691 0.368 25536 324 1 1 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.623 1.181 25536 325 1 1 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.368 0.035 25536 326 1 1 . 1 1 80 80 LEU H H 80 8.549 8.549 9.009 -0.460 25536 327 1 1 . 1 1 81 81 LEU N N 81 118.633 118.633 119.513 -0.880 25536 328 1 1 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.978 -0.111 25536 329 1 1 . 1 1 81 81 LEU C C 81 178.542 178.542 178.340 0.202 25536 330 1 1 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.869 0.902 25536 331 1 1 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.149 1.500 25536 332 1 1 . 1 1 81 81 LEU H H 81 9.973 9.973 8.744 1.229 25536 333 1 1 . 1 1 82 82 GLY N N 82 105.564 105.564 106.163 -0.599 25536 334 1 1 . 1 1 82 82 GLY C C 82 176.907 176.907 175.738 1.169 25536 335 1 1 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.063 1.000 25536 336 1 1 . 1 1 82 82 GLY H H 82 7.559 7.559 8.345 -0.786 25536 337 1 1 . 1 1 83 83 GLU N N 83 121.706 121.706 122.676 -0.970 25536 338 1 1 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.064 -0.082 25536 339 1 1 . 1 1 83 83 GLU C C 83 179.215 179.215 178.813 0.402 25536 340 1 1 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.896 0.265 25536 341 1 1 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.561 -0.068 25536 342 1 1 . 1 1 83 83 GLU H H 83 7.536 7.536 8.236 -0.700 25536 343 1 1 . 1 1 84 84 LEU N N 84 118.455 118.455 120.485 -2.030 25536 344 1 1 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.107 -0.083 25536 345 1 1 . 1 1 84 84 LEU C C 84 178.842 178.842 178.070 0.772 25536 346 1 1 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.035 0.440 25536 347 1 1 . 1 1 84 84 LEU CB C 84 42.487 42.487 41.997 0.490 25536 348 1 1 . 1 1 84 84 LEU H H 84 7.701 7.701 8.074 -0.373 25536 349 1 1 . 1 1 85 85 LEU N N 85 115.271 115.271 115.968 -0.697 25536 350 1 1 . 1 1 85 85 LEU HA H 85 3.776 3.776 4.011 -0.235 25536 351 1 1 . 1 1 85 85 LEU C C 85 177.773 177.773 177.943 -0.170 25536 352 1 1 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.177 0.198 25536 353 1 1 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.619 1.274 25536 354 1 1 . 1 1 85 85 LEU H H 85 8.117 8.117 7.967 0.150 25536 355 1 1 . 1 1 86 86 GLY N N 86 107.216 107.216 105.030 2.186 25536 356 1 1 . 1 1 86 86 GLY C C 86 174.090 174.090 173.799 0.291 25536 357 1 1 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.190 1.125 25536 358 1 1 . 1 1 86 86 GLY H H 86 7.983 7.983 8.064 -0.081 25536 359 1 1 . 1 1 87 87 ARG N N 87 113.296 113.296 116.806 -3.510 25536 360 1 1 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.694 -0.040 25536 361 1 1 . 1 1 87 87 ARG C C 87 174.720 174.720 174.953 -0.233 25536 362 1 1 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.989 0.290 25536 363 1 1 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.791 2.604 25536 364 1 1 . 1 1 87 87 ARG H H 87 7.411 7.411 7.601 -0.190 25536 365 1 1 . 1 1 88 88 GLN N N 88 115.575 115.575 120.545 -4.970 25536 366 1 1 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.216 -0.163 25536 367 1 1 . 1 1 88 88 GLN C C 88 175.946 175.946 175.014 0.932 25536 368 1 1 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.371 0.041 25536 369 1 1 . 1 1 88 88 GLN CB C 88 29.790 29.790 28.971 0.819 25536 370 1 1 . 1 1 88 88 GLN H H 88 8.653 8.653 8.772 -0.119 25536 371 1 1 . 1 1 89 89 SER N N 89 110.451 110.451 111.219 -0.768 25536 372 1 1 . 1 1 89 89 SER HA H 89 5.428 5.428 5.146 0.282 25536 373 1 1 . 1 1 89 89 SER C C 89 173.062 173.062 172.789 0.273 25536 374 1 1 . 1 1 89 89 SER CA C 89 57.011 57.011 56.035 0.976 25536 375 1 1 . 1 1 89 89 SER CB C 89 66.560 66.560 66.286 0.274 25536 376 1 1 . 1 1 89 89 SER H H 89 7.625 7.625 7.364 0.261 25536 377 1 1 . 1 1 90 90 PHE N N 90 115.159 115.159 116.460 -1.301 25536 378 1 1 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.964 -0.279 25536 379 1 1 . 1 1 90 90 PHE C C 90 170.337 170.337 172.568 -2.231 25536 380 1 1 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.189 0.009 25536 381 1 1 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.634 -0.222 25536 382 1 1 . 1 1 90 90 PHE H H 90 8.549 8.549 7.952 0.597 25536 383 1 1 . 1 1 91 91 SER N N 91 113.637 113.637 114.457 -0.820 25536 384 1 1 . 1 1 91 91 SER HA H 91 5.350 5.350 5.021 0.329 25536 385 1 1 . 1 1 91 91 SER C C 91 178.100 178.100 176.308 1.792 25536 386 1 1 . 1 1 91 91 SER CA C 91 54.748 54.748 54.702 0.046 25536 387 1 1 . 1 1 91 91 SER CB C 91 65.325 65.325 65.613 -0.288 25536 388 1 1 . 1 1 91 91 SER H H 91 9.010 9.010 8.464 0.546 25536 389 1 1 . 1 1 92 92 VAL N N 92 120.560 120.560 126.810 -6.250 25536 390 1 1 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.890 0.018 25536 391 1 1 . 1 1 92 92 VAL C C 92 175.704 175.704 176.794 -1.090 25536 392 1 1 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.527 -1.527 25536 393 1 1 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.785 -0.985 25536 394 1 1 . 1 1 92 92 VAL H H 92 8.948 8.948 9.201 -0.253 25536 395 1 1 . 1 1 93 93 LYS N N 93 116.481 116.481 118.167 -1.686 25536 396 1 1 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.315 -0.368 25536 397 1 1 . 1 1 93 93 LYS C C 93 177.088 177.088 175.801 1.287 25536 398 1 1 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.542 1.157 25536 399 1 1 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.227 -0.969 25536 400 1 1 . 1 1 93 93 LYS H H 93 8.086 8.086 7.663 0.423 25536 401 1 1 . 1 1 94 94 ASP N N 94 114.885 114.885 119.341 -4.456 25536 402 1 1 . 1 1 94 94 ASP HA H 94 4.942 4.942 4.995 -0.053 25536 403 1 1 . 1 1 94 94 ASP C C 94 173.021 173.021 174.965 -1.944 25536 404 1 1 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.162 0.427 25536 405 1 1 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.129 0.316 25536 406 1 1 . 1 1 94 94 ASP H H 94 7.399 7.399 7.885 -0.486 25536 407 1 1 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.508 -0.090 25536 408 1 1 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.878 -0.231 25536 409 1 1 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.530 0.230 25536 410 1 1 . 1 1 96 96 SER N N 96 118.790 118.790 115.964 2.826 25536 411 1 1 . 1 1 96 96 SER HA H 96 4.219 4.219 4.125 0.094 25536 412 1 1 . 1 1 96 96 SER C C 96 173.615 173.615 173.918 -0.303 25536 413 1 1 . 1 1 96 96 SER CA C 96 64.525 64.525 63.303 1.222 25536 414 1 1 . 1 1 96 96 SER CB C 96 61.994 61.994 61.911 0.083 25536 415 1 1 . 1 1 96 96 SER H H 96 8.052 8.052 8.430 -0.378 25536 416 1 1 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.322 0.025 25536 417 1 1 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.239 0.777 25536 418 1 1 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.402 0.210 25536 419 1 1 . 1 1 98 98 LEU N N 98 117.938 117.938 120.010 -2.072 25536 420 1 1 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.872 -0.276 25536 421 1 1 . 1 1 98 98 LEU C C 98 178.196 178.196 179.200 -1.004 25536 422 1 1 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.749 -0.465 25536 423 1 1 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.316 0.093 25536 424 1 1 . 1 1 98 98 LEU H H 98 7.076 7.076 7.795 -0.719 25536 425 1 1 . 1 1 99 99 TYR N N 99 117.957 117.957 117.732 0.225 25536 426 1 1 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.021 0.129 25536 427 1 1 . 1 1 99 99 TYR C C 99 178.767 178.767 178.262 0.505 25536 428 1 1 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.907 -0.684 25536 429 1 1 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.708 -0.670 25536 430 1 1 . 1 1 99 99 TYR H H 99 7.547 7.547 7.694 -0.147 25536 431 1 1 . 1 1 100 100 ASP N N 100 119.536 119.536 120.089 -0.553 25536 432 1 1 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.402 -0.076 25536 433 1 1 . 1 1 100 100 ASP C C 100 177.737 177.737 178.138 -0.401 25536 434 1 1 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.204 0.671 25536 435 1 1 . 1 1 100 100 ASP CB C 100 41.141 41.141 41.018 0.123 25536 436 1 1 . 1 1 100 100 ASP H H 100 8.292 8.292 8.013 0.279 25536 437 1 1 . 1 1 101 101 MET N N 101 118.757 118.757 118.010 0.747 25536 438 1 1 . 1 1 101 101 MET HA H 101 3.964 3.964 4.169 -0.205 25536 439 1 1 . 1 1 101 101 MET C C 101 180.006 180.006 177.076 2.930 25536 440 1 1 . 1 1 101 101 MET CA C 101 59.710 59.710 58.719 0.991 25536 441 1 1 . 1 1 101 101 MET CB C 101 31.642 31.642 32.580 -0.938 25536 442 1 1 . 1 1 101 101 MET H H 101 7.226 7.226 7.796 -0.570 25536 443 1 1 . 1 1 102 102 LEU N N 102 121.624 121.624 118.451 3.173 25536 444 1 1 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.114 -0.418 25536 445 1 1 . 1 1 102 102 LEU C C 102 178.566 178.566 178.985 -0.419 25536 446 1 1 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.638 2.289 25536 447 1 1 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.630 -0.145 25536 448 1 1 . 1 1 102 102 LEU H H 102 8.472 8.472 7.671 0.801 25536 449 1 1 . 1 1 103 103 ARG N N 103 117.111 117.111 118.898 -1.787 25536 450 1 1 . 1 1 103 103 ARG HA H 103 3.970 3.970 3.977 -0.007 25536 451 1 1 . 1 1 103 103 ARG C C 103 178.818 178.818 177.924 0.894 25536 452 1 1 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.567 -0.064 25536 453 1 1 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.352 -0.058 25536 454 1 1 . 1 1 103 103 ARG H H 103 7.932 7.932 8.254 -0.322 25536 455 1 1 . 1 1 104 104 LYS N N 104 114.172 114.172 113.106 1.066 25536 456 1 1 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.456 -0.234 25536 457 1 1 . 1 1 104 104 LYS C C 104 177.556 177.556 176.890 0.666 25536 458 1 1 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.274 1.686 25536 459 1 1 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.068 2.159 25536 460 1 1 . 1 1 104 104 LYS H H 104 7.157 7.157 7.693 -0.536 25536 461 1 1 . 1 1 105 105 ASN N N 105 114.145 114.145 117.318 -3.173 25536 462 1 1 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.768 -0.037 25536 463 1 1 . 1 1 105 105 ASN C C 105 172.822 172.822 174.444 -1.622 25536 464 1 1 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.528 0.315 25536 465 1 1 . 1 1 105 105 ASN CB C 105 42.645 42.645 41.367 1.278 25536 466 1 1 . 1 1 105 105 ASN H H 105 7.665 7.665 7.893 -0.228 25536 467 1 1 . 1 1 106 106 LEU N N 106 118.600 118.600 120.473 -1.873 25536 468 1 1 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.712 -0.041 25536 469 1 1 . 1 1 106 106 LEU C C 106 175.658 175.658 174.644 1.014 25536 470 1 1 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.294 -0.136 25536 471 1 1 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.844 -1.279 25536 472 1 1 . 1 1 106 106 LEU H H 106 7.439 7.439 8.083 -0.644 25536 473 1 1 . 1 1 107 107 VAL N N 107 122.739 122.739 125.238 -2.499 25536 474 1 1 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.313 -0.105 25536 475 1 1 . 1 1 107 107 VAL C C 107 176.054 176.054 176.000 0.054 25536 476 1 1 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.791 0.425 25536 477 1 1 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.537 1.043 25536 478 1 1 . 1 1 107 107 VAL H H 107 8.182 8.182 8.278 -0.096 25536 479 1 1 . 1 1 108 108 THR N N 108 120.854 120.854 118.806 2.048 25536 480 1 1 . 1 1 108 108 THR HA H 108 4.336 4.336 4.587 -0.251 25536 481 1 1 . 1 1 108 108 THR C C 108 174.216 174.216 175.080 -0.864 25536 482 1 1 . 1 1 108 108 THR CA C 108 62.726 62.726 60.133 2.593 25536 483 1 1 . 1 1 108 108 THR CB C 108 70.080 70.080 70.741 -0.661 25536 484 1 1 . 1 1 108 108 THR H H 108 8.524 8.524 8.010 0.514 25536 485 1 1 . 1 1 109 109 LEU N N 109 125.529 125.529 124.208 1.321 25536 486 1 1 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.290 0.062 25536 487 1 1 . 1 1 109 109 LEU C C 109 176.523 176.523 176.115 0.408 25536 488 1 1 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.601 -0.554 25536 489 1 1 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.318 0.272 25536 490 1 1 . 1 1 109 109 LEU H H 109 8.313 8.313 8.627 -0.314 25536 491 1 1 . 1 1 110 110 ALA N N 110 125.099 125.099 122.454 2.645 25536 492 1 1 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.244 0.122 25536 493 1 1 . 1 1 110 110 ALA C C 110 176.847 176.847 176.220 0.627 25536 494 1 1 . 1 1 110 110 ALA CA C 110 52.628 52.628 53.063 -0.435 25536 495 1 1 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.269 0.437 25536 496 1 1 . 1 1 110 110 ALA H H 110 8.257 8.257 7.548 0.709 25536 497 1 2 . 1 1 24 24 ILE N N 24 120.668 120.668 121.029 -0.361 25536 498 1 2 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.360 -0.213 25536 499 1 2 . 1 1 24 24 ILE C C 24 175.650 175.650 175.418 0.232 25536 500 1 2 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.104 0.238 25536 501 1 2 . 1 1 24 24 ILE CB C 24 39.067 39.067 39.136 -0.069 25536 502 1 2 . 1 1 24 24 ILE H H 24 8.119 8.119 8.255 -0.136 25536 503 1 2 . 1 1 25 25 ASN N N 25 122.032 122.032 122.807 -0.775 25536 504 1 2 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.897 -0.193 25536 505 1 2 . 1 1 25 25 ASN C C 25 174.775 174.775 174.219 0.556 25536 506 1 2 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.963 0.767 25536 507 1 2 . 1 1 25 25 ASN CB C 25 39.406 39.406 38.502 0.904 25536 508 1 2 . 1 1 25 25 ASN H H 25 8.446 8.446 8.624 -0.178 25536 509 1 2 . 1 1 26 26 GLN N N 26 118.655 118.655 118.072 0.583 25536 510 1 2 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.519 0.068 25536 511 1 2 . 1 1 26 26 GLN C C 26 175.291 175.291 174.576 0.715 25536 512 1 2 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.114 1.588 25536 513 1 2 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.558 -0.300 25536 514 1 2 . 1 1 26 26 GLN H H 26 8.215 8.215 7.480 0.735 25536 515 1 2 . 1 1 27 27 VAL N N 27 113.749 113.749 119.888 -6.139 25536 516 1 2 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.290 0.577 25536 517 1 2 . 1 1 27 27 VAL C C 27 173.900 173.900 174.769 -0.869 25536 518 1 2 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.681 -1.565 25536 519 1 2 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.779 2.325 25536 520 1 2 . 1 1 27 27 VAL H H 27 9.417 9.417 8.188 1.229 25536 521 1 2 . 1 1 28 28 ARG N N 28 121.515 121.515 125.609 -4.094 25536 522 1 2 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.200 0.257 25536 523 1 2 . 1 1 28 28 ARG C C 28 175.090 175.090 175.086 0.004 25536 524 1 2 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.261 -0.690 25536 525 1 2 . 1 1 28 28 ARG CB C 28 33.674 33.674 31.277 2.397 25536 526 1 2 . 1 1 28 28 ARG H H 28 8.901 8.901 8.552 0.349 25536 527 1 2 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.541 0.454 25536 528 1 2 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.330 -0.278 25536 529 1 2 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.537 -0.276 25536 530 1 2 . 1 1 30 30 LYS N N 30 121.291 121.291 119.343 1.948 25536 531 1 2 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.137 0.064 25536 532 1 2 . 1 1 30 30 LYS C C 30 177.557 177.557 178.549 -0.992 25536 533 1 2 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.413 1.308 25536 534 1 2 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.380 0.615 25536 535 1 2 . 1 1 30 30 LYS H H 30 8.476 8.476 8.460 0.016 25536 536 1 2 . 1 1 31 31 LEU N N 31 121.578 121.578 123.800 -2.222 25536 537 1 2 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.134 -0.079 25536 538 1 2 . 1 1 31 31 LEU C C 31 174.261 174.261 176.848 -2.587 25536 539 1 2 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.845 0.351 25536 540 1 2 . 1 1 31 31 LEU CB C 31 39.850 39.850 38.671 1.179 25536 541 1 2 . 1 1 31 31 LEU H H 31 8.584 8.584 8.894 -0.310 25536 542 1 2 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.287 -0.154 25536 543 1 2 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.569 1.009 25536 544 1 2 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.255 0.222 25536 545 1 2 . 1 1 33 33 LEU N N 33 113.190 113.190 119.241 -6.051 25536 546 1 2 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.062 -0.087 25536 547 1 2 . 1 1 33 33 LEU C C 33 177.726 177.726 179.362 -1.636 25536 548 1 2 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.772 -1.632 25536 549 1 2 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.750 0.097 25536 550 1 2 . 1 1 33 33 LEU H H 33 6.605 6.605 7.484 -0.879 25536 551 1 2 . 1 1 34 34 LEU N N 34 121.683 121.683 120.725 0.958 25536 552 1 2 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.834 -0.452 25536 553 1 2 . 1 1 34 34 LEU C C 34 177.321 177.321 177.991 -0.670 25536 554 1 2 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.590 0.647 25536 555 1 2 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.352 0.559 25536 556 1 2 . 1 1 34 34 LEU H H 34 8.399 8.399 8.676 -0.277 25536 557 1 2 . 1 1 35 35 LYS N N 35 114.524 114.524 119.340 -4.816 25536 558 1 2 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.982 -0.189 25536 559 1 2 . 1 1 35 35 LYS C C 35 180.207 180.207 178.784 1.423 25536 560 1 2 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.425 0.646 25536 561 1 2 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.818 0.651 25536 562 1 2 . 1 1 35 35 LYS H H 35 7.940 7.940 8.157 -0.217 25536 563 1 2 . 1 1 36 36 ILE N N 36 119.857 119.857 119.467 0.390 25536 564 1 2 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.777 -0.473 25536 565 1 2 . 1 1 36 36 ILE C C 36 176.418 176.418 178.187 -1.769 25536 566 1 2 . 1 1 36 36 ILE CA C 36 64.480 64.480 63.676 0.804 25536 567 1 2 . 1 1 36 36 ILE CB C 36 37.604 37.604 36.766 0.838 25536 568 1 2 . 1 1 36 36 ILE H H 36 6.742 6.742 7.708 -0.966 25536 569 1 2 . 1 1 37 37 LEU N N 37 116.695 116.695 120.123 -3.428 25536 570 1 2 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.893 -0.371 25536 571 1 2 . 1 1 37 37 LEU C C 37 180.263 180.263 179.594 0.669 25536 572 1 2 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.538 -0.258 25536 573 1 2 . 1 1 37 37 LEU CB C 37 39.138 39.138 41.127 -1.989 25536 574 1 2 . 1 1 37 37 LEU H H 37 7.595 7.595 7.546 0.049 25536 575 1 2 . 1 1 38 38 HIS N N 38 117.829 117.829 117.560 0.269 25536 576 1 2 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.225 0.457 25536 577 1 2 . 1 1 38 38 HIS C C 38 180.133 180.133 178.062 2.071 25536 578 1 2 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.505 -1.214 25536 579 1 2 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.136 1.275 25536 580 1 2 . 1 1 38 38 HIS H H 38 8.955 8.955 8.633 0.322 25536 581 1 2 . 1 1 39 39 ALA N N 39 124.006 124.006 122.144 1.862 25536 582 1 2 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.192 0.054 25536 583 1 2 . 1 1 39 39 ALA C C 39 178.835 178.835 178.684 0.151 25536 584 1 2 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.589 0.496 25536 585 1 2 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.419 -0.308 25536 586 1 2 . 1 1 39 39 ALA H H 39 7.945 7.945 8.204 -0.259 25536 587 1 2 . 1 1 40 40 ALA N N 40 118.201 118.201 119.283 -1.082 25536 588 1 2 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.345 0.076 25536 589 1 2 . 1 1 40 40 ALA C C 40 176.261 176.261 178.129 -1.868 25536 590 1 2 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.632 -0.495 25536 591 1 2 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.090 1.022 25536 592 1 2 . 1 1 40 40 ALA H H 40 7.665 7.665 7.840 -0.175 25536 593 1 2 . 1 1 41 41 GLY N N 41 103.920 103.920 107.635 -3.715 25536 594 1 2 . 1 1 41 41 GLY C C 41 174.412 174.412 174.229 0.183 25536 595 1 2 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.751 0.216 25536 596 1 2 . 1 1 41 41 GLY H H 41 7.683 7.683 7.730 -0.047 25536 597 1 2 . 1 1 42 42 ALA N N 42 123.582 123.582 122.174 1.408 25536 598 1 2 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.484 0.151 25536 599 1 2 . 1 1 42 42 ALA C C 42 175.772 175.772 177.068 -1.296 25536 600 1 2 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.729 0.951 25536 601 1 2 . 1 1 42 42 ALA CB C 42 19.356 19.356 18.883 0.473 25536 602 1 2 . 1 1 42 42 ALA H H 42 7.578 7.578 7.628 -0.050 25536 603 1 2 . 1 1 43 43 GLN N N 43 116.996 116.996 122.683 -5.687 25536 604 1 2 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.548 -0.199 25536 605 1 2 . 1 1 43 43 GLN C C 43 175.528 175.528 175.668 -0.140 25536 606 1 2 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.089 -0.438 25536 607 1 2 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.189 3.225 25536 608 1 2 . 1 1 43 43 GLN H H 43 8.481 8.481 8.457 0.024 25536 609 1 2 . 1 1 44 44 GLY N N 44 108.128 108.128 106.363 1.765 25536 610 1 2 . 1 1 44 44 GLY C C 44 173.892 173.892 172.661 1.231 25536 611 1 2 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.440 -0.742 25536 612 1 2 . 1 1 44 44 GLY H H 44 8.510 8.510 7.776 0.734 25536 613 1 2 . 1 1 45 45 GLU N N 45 114.113 114.113 118.430 -4.317 25536 614 1 2 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.410 0.198 25536 615 1 2 . 1 1 45 45 GLU C C 45 174.007 174.007 174.380 -0.373 25536 616 1 2 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.861 0.967 25536 617 1 2 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.578 1.473 25536 618 1 2 . 1 1 45 45 GLU H H 45 8.245 8.245 8.212 0.033 25536 619 1 2 . 1 1 46 46 MET N N 46 115.322 115.322 117.524 -2.202 25536 620 1 2 . 1 1 46 46 MET HA H 46 5.051 5.051 4.433 0.618 25536 621 1 2 . 1 1 46 46 MET C C 46 174.637 174.637 174.385 0.252 25536 622 1 2 . 1 1 46 46 MET CA C 46 54.264 54.264 54.098 0.166 25536 623 1 2 . 1 1 46 46 MET CB C 46 35.854 35.854 34.001 1.853 25536 624 1 2 . 1 1 46 46 MET H H 46 6.872 6.872 7.065 -0.193 25536 625 1 2 . 1 1 47 47 PHE N N 47 119.008 119.008 119.897 -0.889 25536 626 1 2 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.044 0.050 25536 627 1 2 . 1 1 47 47 PHE C C 47 175.742 175.742 174.001 1.741 25536 628 1 2 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.809 1.529 25536 629 1 2 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.165 5.747 25536 630 1 2 . 1 1 47 47 PHE H H 47 8.623 8.623 8.911 -0.287 25536 631 1 2 . 1 1 48 48 THR N N 48 110.544 110.544 110.095 0.449 25536 632 1 2 . 1 1 48 48 THR HA H 48 4.990 4.990 4.531 0.459 25536 633 1 2 . 1 1 48 48 THR C C 48 176.666 176.666 175.835 0.831 25536 634 1 2 . 1 1 48 48 THR CA C 48 61.095 61.095 59.666 1.429 25536 635 1 2 . 1 1 48 48 THR CB C 48 71.136 71.136 71.106 0.030 25536 636 1 2 . 1 1 48 48 THR H H 48 9.108 9.108 8.259 0.849 25536 637 1 2 . 1 1 49 49 VAL N N 49 121.588 121.588 121.627 -0.039 25536 638 1 2 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.585 -0.204 25536 639 1 2 . 1 1 49 49 VAL C C 49 177.726 177.726 177.283 0.443 25536 640 1 2 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.027 1.214 25536 641 1 2 . 1 1 49 49 VAL CB C 49 31.555 31.555 32.174 -0.619 25536 642 1 2 . 1 1 49 49 VAL H H 49 9.044 9.044 8.937 0.107 25536 643 1 2 . 1 1 50 50 LYS N N 50 118.341 118.341 115.720 2.621 25536 644 1 2 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.103 -0.144 25536 645 1 2 . 1 1 50 50 LYS C C 50 180.060 180.060 178.402 1.658 25536 646 1 2 . 1 1 50 50 LYS CA C 50 60.356 60.356 58.950 1.406 25536 647 1 2 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.836 1.003 25536 648 1 2 . 1 1 50 50 LYS H H 50 8.132 8.132 8.360 -0.228 25536 649 1 2 . 1 1 51 51 GLU N N 51 119.521 119.521 120.248 -0.727 25536 650 1 2 . 1 1 51 51 GLU HA H 51 4.046 4.046 4.024 0.022 25536 651 1 2 . 1 1 51 51 GLU C C 51 178.583 178.583 178.461 0.122 25536 652 1 2 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.648 1.255 25536 653 1 2 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.930 1.526 25536 654 1 2 . 1 1 51 51 GLU H H 51 7.877 7.877 7.568 0.309 25536 655 1 2 . 1 1 52 52 VAL N N 52 119.044 119.044 118.047 0.997 25536 656 1 2 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.532 -0.282 25536 657 1 2 . 1 1 52 52 VAL C C 52 177.546 177.546 178.202 -0.656 25536 658 1 2 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.735 2.166 25536 659 1 2 . 1 1 52 52 VAL CB C 52 31.377 31.377 30.908 0.469 25536 660 1 2 . 1 1 52 52 VAL H H 52 8.245 8.245 8.557 -0.312 25536 661 1 2 . 1 1 53 53 MET N N 53 114.669 114.669 116.423 -1.754 25536 662 1 2 . 1 1 53 53 MET HA H 53 4.198 4.198 4.122 0.076 25536 663 1 2 . 1 1 53 53 MET C C 53 178.699 178.699 177.472 1.227 25536 664 1 2 . 1 1 53 53 MET CA C 53 57.748 57.748 57.523 0.225 25536 665 1 2 . 1 1 53 53 MET CB C 53 32.680 32.680 31.182 1.498 25536 666 1 2 . 1 1 53 53 MET H H 53 8.188 8.188 8.023 0.165 25536 667 1 2 . 1 1 54 54 HIS N N 54 118.909 118.909 120.358 -1.449 25536 668 1 2 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.153 -0.036 25536 669 1 2 . 1 1 54 54 HIS C C 54 178.675 178.675 176.974 1.701 25536 670 1 2 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.430 -0.158 25536 671 1 2 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.588 1.009 25536 672 1 2 . 1 1 54 54 HIS H H 54 8.091 8.091 7.293 0.798 25536 673 1 2 . 1 1 55 55 TYR N N 55 116.769 116.769 116.850 -0.081 25536 674 1 2 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.188 -0.336 25536 675 1 2 . 1 1 55 55 TYR C C 55 177.794 177.794 177.855 -0.061 25536 676 1 2 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.816 2.901 25536 677 1 2 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.102 2.027 25536 678 1 2 . 1 1 55 55 TYR H H 55 8.468 8.468 7.398 1.070 25536 679 1 2 . 1 1 56 56 LEU N N 56 120.819 120.819 120.192 0.627 25536 680 1 2 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.881 -0.072 25536 681 1 2 . 1 1 56 56 LEU C C 56 178.484 178.484 179.056 -0.572 25536 682 1 2 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.495 1.127 25536 683 1 2 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.093 1.488 25536 684 1 2 . 1 1 56 56 LEU H H 56 8.455 8.455 7.525 0.930 25536 685 1 2 . 1 1 57 57 GLY N N 57 104.896 104.896 106.982 -2.086 25536 686 1 2 . 1 1 57 57 GLY C C 57 175.647 175.647 175.769 -0.122 25536 687 1 2 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.268 -0.029 25536 688 1 2 . 1 1 57 57 GLY H H 57 7.691 7.691 7.869 -0.178 25536 689 1 2 . 1 1 58 58 GLN N N 58 119.080 119.080 121.893 -2.813 25536 690 1 2 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.987 -0.175 25536 691 1 2 . 1 1 58 58 GLN C C 58 177.429 177.429 177.762 -0.333 25536 692 1 2 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.529 0.149 25536 693 1 2 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.366 0.509 25536 694 1 2 . 1 1 58 58 GLN H H 58 7.704 7.704 7.989 -0.285 25536 695 1 2 . 1 1 59 59 TYR N N 59 120.995 120.995 122.480 -1.485 25536 696 1 2 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.187 -0.383 25536 697 1 2 . 1 1 59 59 TYR C C 59 176.215 176.215 177.533 -1.318 25536 698 1 2 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.050 0.515 25536 699 1 2 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.605 0.014 25536 700 1 2 . 1 1 59 59 TYR H H 59 8.500 8.500 8.197 0.303 25536 701 1 2 . 1 1 60 60 ILE N N 60 116.532 116.532 119.388 -2.856 25536 702 1 2 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.670 -0.367 25536 703 1 2 . 1 1 60 60 ILE C C 60 177.952 177.952 178.259 -0.307 25536 704 1 2 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.763 -0.215 25536 705 1 2 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.035 0.396 25536 706 1 2 . 1 1 60 60 ILE H H 60 7.585 7.585 8.688 -1.103 25536 707 1 2 . 1 1 61 61 MET N N 61 115.556 115.556 119.211 -3.655 25536 708 1 2 . 1 1 61 61 MET HA H 61 4.547 4.547 4.351 0.196 25536 709 1 2 . 1 1 61 61 MET C C 61 180.579 180.579 177.923 2.656 25536 710 1 2 . 1 1 61 61 MET CA C 61 57.563 57.563 58.462 -0.899 25536 711 1 2 . 1 1 61 61 MET CB C 61 31.473 31.473 32.612 -1.139 25536 712 1 2 . 1 1 61 61 MET H H 61 7.707 7.707 8.048 -0.341 25536 713 1 2 . 1 1 62 62 VAL N N 62 120.872 120.872 119.620 1.252 25536 714 1 2 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.757 0.071 25536 715 1 2 . 1 1 62 62 VAL C C 62 178.786 178.786 177.921 0.865 25536 716 1 2 . 1 1 62 62 VAL CA C 62 66.112 66.112 65.010 1.102 25536 717 1 2 . 1 1 62 62 VAL CB C 62 31.991 31.991 31.544 0.447 25536 718 1 2 . 1 1 62 62 VAL H H 62 9.009 9.009 8.227 0.782 25536 719 1 2 . 1 1 63 63 LYS N N 63 116.652 116.652 117.458 -0.806 25536 720 1 2 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.141 -0.084 25536 721 1 2 . 1 1 63 63 LYS C C 63 174.784 174.784 176.215 -1.431 25536 722 1 2 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.638 0.445 25536 723 1 2 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.250 -0.789 25536 724 1 2 . 1 1 63 63 LYS H H 63 7.812 7.812 8.211 -0.399 25536 725 1 2 . 1 1 64 64 GLN N N 64 115.445 115.445 114.224 1.221 25536 726 1 2 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.671 -0.065 25536 727 1 2 . 1 1 64 64 GLN C C 64 175.550 175.550 174.977 0.573 25536 728 1 2 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.569 0.410 25536 729 1 2 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.172 1.076 25536 730 1 2 . 1 1 64 64 GLN H H 64 7.642 7.642 8.000 -0.358 25536 731 1 2 . 1 1 65 65 LEU N N 65 115.724 115.724 118.138 -2.414 25536 732 1 2 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.344 0.113 25536 733 1 2 . 1 1 65 65 LEU C C 65 175.979 175.979 175.484 0.495 25536 734 1 2 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.126 0.528 25536 735 1 2 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.626 0.324 25536 736 1 2 . 1 1 65 65 LEU H H 65 8.097 8.097 7.240 0.857 25536 737 1 2 . 1 1 66 66 TYR N N 66 112.953 112.953 114.931 -1.978 25536 738 1 2 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.259 0.033 25536 739 1 2 . 1 1 66 66 TYR C C 66 173.941 173.941 174.566 -0.625 25536 740 1 2 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.465 1.164 25536 741 1 2 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.622 -0.874 25536 742 1 2 . 1 1 66 66 TYR H H 66 6.856 6.856 6.746 0.110 25536 743 1 2 . 1 1 67 67 ASP N N 67 122.196 122.196 121.745 0.451 25536 744 1 2 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.707 -0.269 25536 745 1 2 . 1 1 67 67 ASP C C 67 176.779 176.779 177.703 -0.924 25536 746 1 2 . 1 1 67 67 ASP CA C 67 53.980 53.980 54.465 -0.485 25536 747 1 2 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.088 0.444 25536 748 1 2 . 1 1 67 67 ASP H H 67 8.324 8.324 8.331 -0.007 25536 749 1 2 . 1 1 68 68 GLN N N 68 123.042 123.042 124.220 -1.178 25536 750 1 2 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.089 -0.203 25536 751 1 2 . 1 1 68 68 GLN C C 68 177.122 177.122 176.904 0.218 25536 752 1 2 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.453 0.578 25536 753 1 2 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.130 0.957 25536 754 1 2 . 1 1 68 68 GLN H H 68 8.563 8.563 8.711 -0.148 25536 755 1 2 . 1 1 69 69 GLN N N 69 115.263 115.263 117.286 -2.023 25536 756 1 2 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.380 -0.023 25536 757 1 2 . 1 1 69 69 GLN C C 69 176.272 176.272 175.776 0.496 25536 758 1 2 . 1 1 69 69 GLN CA C 69 57.129 57.129 56.643 0.486 25536 759 1 2 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.845 0.279 25536 760 1 2 . 1 1 69 69 GLN H H 69 8.356 8.356 8.265 0.091 25536 761 1 2 . 1 1 70 70 GLU N N 70 122.549 122.549 119.354 3.195 25536 762 1 2 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.527 -0.008 25536 763 1 2 . 1 1 70 70 GLU C C 70 175.953 175.953 175.793 0.160 25536 764 1 2 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.409 -0.452 25536 765 1 2 . 1 1 70 70 GLU CB C 70 29.560 29.560 30.136 -0.576 25536 766 1 2 . 1 1 70 70 GLU H H 70 8.227 8.227 7.763 0.464 25536 767 1 2 . 1 1 71 71 GLN N N 71 118.815 118.815 121.326 -2.511 25536 768 1 2 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.757 0.795 25536 769 1 2 . 1 1 71 71 GLN C C 71 174.842 174.842 176.458 -1.616 25536 770 1 2 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.405 1.292 25536 771 1 2 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.389 -0.459 25536 772 1 2 . 1 1 71 71 GLN H H 71 8.253 8.253 8.737 -0.484 25536 773 1 2 . 1 1 72 72 HIS N N 72 111.141 111.141 110.892 0.249 25536 774 1 2 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.533 -0.360 25536 775 1 2 . 1 1 72 72 HIS C C 72 173.749 173.749 174.585 -0.836 25536 776 1 2 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.316 0.942 25536 777 1 2 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.405 1.667 25536 778 1 2 . 1 1 72 72 HIS H H 72 7.412 7.412 7.433 -0.021 25536 779 1 2 . 1 1 73 73 MET N N 73 119.350 119.350 120.046 -0.696 25536 780 1 2 . 1 1 73 73 MET HA H 73 4.584 4.584 4.507 0.077 25536 781 1 2 . 1 1 73 73 MET C C 73 174.311 174.311 174.443 -0.132 25536 782 1 2 . 1 1 73 73 MET CA C 73 53.186 53.186 53.420 -0.234 25536 783 1 2 . 1 1 73 73 MET CB C 73 31.731 31.731 32.611 -0.880 25536 784 1 2 . 1 1 73 73 MET H H 73 7.766 7.766 7.559 0.207 25536 785 1 2 . 1 1 74 74 VAL N N 74 122.542 122.542 123.707 -1.165 25536 786 1 2 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.320 -0.372 25536 787 1 2 . 1 1 74 74 VAL C C 74 174.756 174.756 174.312 0.444 25536 788 1 2 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.105 0.518 25536 789 1 2 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.554 0.260 25536 790 1 2 . 1 1 74 74 VAL H H 74 8.456 8.456 8.478 -0.022 25536 791 1 2 . 1 1 75 75 TYR N N 75 125.680 125.680 126.466 -0.786 25536 792 1 2 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.201 -0.442 25536 793 1 2 . 1 1 75 75 TYR C C 75 174.923 174.923 175.263 -0.340 25536 794 1 2 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.093 0.719 25536 795 1 2 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.516 0.333 25536 796 1 2 . 1 1 75 75 TYR H H 75 8.213 8.213 9.015 -0.802 25536 797 1 2 . 1 1 76 76 CYS N N 76 116.702 116.702 119.411 -2.709 25536 798 1 2 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.566 0.173 25536 799 1 2 . 1 1 76 76 CYS C C 76 174.231 174.231 174.885 -0.654 25536 800 1 2 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.706 -2.603 25536 801 1 2 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.959 1.738 25536 802 1 2 . 1 1 76 76 CYS H H 76 8.307 8.307 8.837 -0.530 25536 803 1 2 . 1 1 77 77 GLY N N 77 111.569 111.569 109.345 2.224 25536 804 1 2 . 1 1 77 77 GLY C C 77 174.662 174.662 174.987 -0.325 25536 805 1 2 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.523 0.626 25536 806 1 2 . 1 1 77 77 GLY H H 77 8.484 8.484 7.674 0.810 25536 807 1 2 . 1 1 78 78 GLY N N 78 113.022 113.022 113.240 -0.218 25536 808 1 2 . 1 1 78 78 GLY C C 78 172.811 172.811 174.150 -1.339 25536 809 1 2 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.895 0.865 25536 810 1 2 . 1 1 78 78 GLY H H 78 8.889 8.889 8.551 0.338 25536 811 1 2 . 1 1 79 79 ASP N N 79 119.431 119.431 120.588 -1.157 25536 812 1 2 . 1 1 79 79 ASP HA H 79 4.888 4.888 5.230 -0.342 25536 813 1 2 . 1 1 79 79 ASP C C 79 176.302 176.302 175.928 0.374 25536 814 1 2 . 1 1 79 79 ASP CA C 79 53.093 53.093 52.563 0.530 25536 815 1 2 . 1 1 79 79 ASP CB C 79 47.264 47.264 43.470 3.794 25536 816 1 2 . 1 1 79 79 ASP H H 79 7.789 7.789 7.886 -0.097 25536 817 1 2 . 1 1 80 80 LEU N N 80 128.421 128.421 124.402 4.019 25536 818 1 2 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.151 -0.087 25536 819 1 2 . 1 1 80 80 LEU C C 80 179.059 179.059 178.427 0.632 25536 820 1 2 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.847 0.956 25536 821 1 2 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.301 0.102 25536 822 1 2 . 1 1 80 80 LEU H H 80 8.549 8.549 8.980 -0.431 25536 823 1 2 . 1 1 81 81 LEU N N 81 118.633 118.633 120.082 -1.449 25536 824 1 2 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.891 -0.024 25536 825 1 2 . 1 1 81 81 LEU C C 81 178.542 178.542 178.347 0.195 25536 826 1 2 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.177 0.594 25536 827 1 2 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.067 1.582 25536 828 1 2 . 1 1 81 81 LEU H H 81 9.973 9.973 8.029 1.944 25536 829 1 2 . 1 1 82 82 GLY N N 82 105.564 105.564 105.544 0.020 25536 830 1 2 . 1 1 82 82 GLY C C 82 176.907 176.907 175.876 1.031 25536 831 1 2 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.044 1.019 25536 832 1 2 . 1 1 82 82 GLY H H 82 7.559 7.559 7.616 -0.057 25536 833 1 2 . 1 1 83 83 GLU N N 83 121.706 121.706 122.354 -0.648 25536 834 1 2 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.086 -0.104 25536 835 1 2 . 1 1 83 83 GLU C C 83 179.215 179.215 178.791 0.424 25536 836 1 2 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.947 0.214 25536 837 1 2 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.578 -0.085 25536 838 1 2 . 1 1 83 83 GLU H H 83 7.536 7.536 8.097 -0.561 25536 839 1 2 . 1 1 84 84 LEU N N 84 118.455 118.455 121.594 -3.139 25536 840 1 2 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.041 -0.017 25536 841 1 2 . 1 1 84 84 LEU C C 84 178.842 178.842 178.936 -0.094 25536 842 1 2 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.392 0.083 25536 843 1 2 . 1 1 84 84 LEU CB C 84 42.487 42.487 41.511 0.976 25536 844 1 2 . 1 1 84 84 LEU H H 84 7.701 7.701 8.261 -0.560 25536 845 1 2 . 1 1 85 85 LEU N N 85 115.271 115.271 116.472 -1.201 25536 846 1 2 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.950 -0.174 25536 847 1 2 . 1 1 85 85 LEU C C 85 177.773 177.773 177.872 -0.099 25536 848 1 2 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.600 -0.225 25536 849 1 2 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.398 1.495 25536 850 1 2 . 1 1 85 85 LEU H H 85 8.117 8.117 8.256 -0.139 25536 851 1 2 . 1 1 86 86 GLY N N 86 107.216 107.216 104.751 2.465 25536 852 1 2 . 1 1 86 86 GLY C C 86 174.090 174.090 173.727 0.363 25536 853 1 2 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.102 1.213 25536 854 1 2 . 1 1 86 86 GLY H H 86 7.983 7.983 8.057 -0.074 25536 855 1 2 . 1 1 87 87 ARG N N 87 113.296 113.296 117.011 -3.715 25536 856 1 2 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.696 -0.042 25536 857 1 2 . 1 1 87 87 ARG C C 87 174.720 174.720 175.084 -0.364 25536 858 1 2 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.919 0.360 25536 859 1 2 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.856 2.539 25536 860 1 2 . 1 1 87 87 ARG H H 87 7.411 7.411 7.604 -0.193 25536 861 1 2 . 1 1 88 88 GLN N N 88 115.575 115.575 120.902 -5.327 25536 862 1 2 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.250 -0.197 25536 863 1 2 . 1 1 88 88 GLN C C 88 175.946 175.946 175.067 0.879 25536 864 1 2 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.435 -0.023 25536 865 1 2 . 1 1 88 88 GLN CB C 88 29.790 29.790 28.947 0.843 25536 866 1 2 . 1 1 88 88 GLN H H 88 8.653 8.653 8.788 -0.135 25536 867 1 2 . 1 1 89 89 SER N N 89 110.451 110.451 111.125 -0.674 25536 868 1 2 . 1 1 89 89 SER HA H 89 5.428 5.428 5.177 0.251 25536 869 1 2 . 1 1 89 89 SER C C 89 173.062 173.062 172.839 0.223 25536 870 1 2 . 1 1 89 89 SER CA C 89 57.011 57.011 56.105 0.906 25536 871 1 2 . 1 1 89 89 SER CB C 89 66.560 66.560 66.260 0.300 25536 872 1 2 . 1 1 89 89 SER H H 89 7.625 7.625 7.356 0.269 25536 873 1 2 . 1 1 90 90 PHE N N 90 115.159 115.159 117.803 -2.644 25536 874 1 2 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.898 -0.213 25536 875 1 2 . 1 1 90 90 PHE C C 90 170.337 170.337 172.609 -2.272 25536 876 1 2 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.394 -0.196 25536 877 1 2 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.508 -0.096 25536 878 1 2 . 1 1 90 90 PHE H H 90 8.549 8.549 8.060 0.489 25536 879 1 2 . 1 1 91 91 SER N N 91 113.637 113.637 113.541 0.096 25536 880 1 2 . 1 1 91 91 SER HA H 91 5.350 5.350 4.973 0.377 25536 881 1 2 . 1 1 91 91 SER C C 91 178.100 178.100 174.919 3.181 25536 882 1 2 . 1 1 91 91 SER CA C 91 54.748 54.748 56.200 -1.452 25536 883 1 2 . 1 1 91 91 SER CB C 91 65.325 65.325 67.218 -1.893 25536 884 1 2 . 1 1 91 91 SER H H 91 9.010 9.010 8.178 0.832 25536 885 1 2 . 1 1 92 92 VAL N N 92 120.560 120.560 120.501 0.059 25536 886 1 2 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.896 0.012 25536 887 1 2 . 1 1 92 92 VAL C C 92 175.704 175.704 177.280 -1.576 25536 888 1 2 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.626 -1.626 25536 889 1 2 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.715 -0.915 25536 890 1 2 . 1 1 92 92 VAL H H 92 8.948 8.948 9.075 -0.127 25536 891 1 2 . 1 1 93 93 LYS N N 93 116.481 116.481 118.119 -1.638 25536 892 1 2 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.289 -0.342 25536 893 1 2 . 1 1 93 93 LYS C C 93 177.088 177.088 176.137 0.951 25536 894 1 2 . 1 1 93 93 LYS CA C 93 57.699 57.699 57.102 0.597 25536 895 1 2 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.228 -0.970 25536 896 1 2 . 1 1 93 93 LYS H H 93 8.086 8.086 7.691 0.395 25536 897 1 2 . 1 1 94 94 ASP N N 94 114.885 114.885 119.240 -4.355 25536 898 1 2 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.114 -0.172 25536 899 1 2 . 1 1 94 94 ASP C C 94 173.021 173.021 175.017 -1.996 25536 900 1 2 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.148 0.441 25536 901 1 2 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.738 -0.293 25536 902 1 2 . 1 1 94 94 ASP H H 94 7.399 7.399 7.954 -0.555 25536 903 1 2 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.893 -0.475 25536 904 1 2 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.567 0.080 25536 905 1 2 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.633 0.127 25536 906 1 2 . 1 1 96 96 SER N N 96 118.790 118.790 117.485 1.305 25536 907 1 2 . 1 1 96 96 SER HA H 96 4.219 4.219 4.132 0.087 25536 908 1 2 . 1 1 96 96 SER C C 96 173.615 173.615 174.095 -0.480 25536 909 1 2 . 1 1 96 96 SER CA C 96 64.525 64.525 64.217 0.308 25536 910 1 2 . 1 1 96 96 SER CB C 96 61.994 61.994 60.977 1.017 25536 911 1 2 . 1 1 96 96 SER H H 96 8.052 8.052 8.144 -0.092 25536 912 1 2 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.318 0.029 25536 913 1 2 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.261 0.755 25536 914 1 2 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.345 0.267 25536 915 1 2 . 1 1 98 98 LEU N N 98 117.938 117.938 119.903 -1.965 25536 916 1 2 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.862 -0.266 25536 917 1 2 . 1 1 98 98 LEU C C 98 178.196 178.196 179.105 -0.909 25536 918 1 2 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.677 -0.393 25536 919 1 2 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.332 0.077 25536 920 1 2 . 1 1 98 98 LEU H H 98 7.076 7.076 7.860 -0.784 25536 921 1 2 . 1 1 99 99 TYR N N 99 117.957 117.957 117.449 0.508 25536 922 1 2 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.032 0.118 25536 923 1 2 . 1 1 99 99 TYR C C 99 178.767 178.767 178.182 0.585 25536 924 1 2 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.801 -0.578 25536 925 1 2 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.578 -0.540 25536 926 1 2 . 1 1 99 99 TYR H H 99 7.547 7.547 7.692 -0.145 25536 927 1 2 . 1 1 100 100 ASP N N 100 119.536 119.536 120.293 -0.757 25536 928 1 2 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.377 -0.051 25536 929 1 2 . 1 1 100 100 ASP C C 100 177.737 177.737 178.150 -0.413 25536 930 1 2 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.393 0.482 25536 931 1 2 . 1 1 100 100 ASP CB C 100 41.141 41.141 41.013 0.128 25536 932 1 2 . 1 1 100 100 ASP H H 100 8.292 8.292 7.952 0.340 25536 933 1 2 . 1 1 101 101 MET N N 101 118.757 118.757 117.733 1.024 25536 934 1 2 . 1 1 101 101 MET HA H 101 3.964 3.964 4.190 -0.226 25536 935 1 2 . 1 1 101 101 MET C C 101 180.006 180.006 177.107 2.899 25536 936 1 2 . 1 1 101 101 MET CA C 101 59.710 59.710 58.617 1.093 25536 937 1 2 . 1 1 101 101 MET CB C 101 31.642 31.642 32.676 -1.034 25536 938 1 2 . 1 1 101 101 MET H H 101 7.226 7.226 7.689 -0.463 25536 939 1 2 . 1 1 102 102 LEU N N 102 121.624 121.624 118.688 2.936 25536 940 1 2 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.145 -0.449 25536 941 1 2 . 1 1 102 102 LEU C C 102 178.566 178.566 178.929 -0.363 25536 942 1 2 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.939 1.988 25536 943 1 2 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.836 -0.351 25536 944 1 2 . 1 1 102 102 LEU H H 102 8.472 8.472 7.896 0.576 25536 945 1 2 . 1 1 103 103 ARG N N 103 117.111 117.111 120.122 -3.011 25536 946 1 2 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.154 -0.184 25536 947 1 2 . 1 1 103 103 ARG C C 103 178.818 178.818 177.714 1.104 25536 948 1 2 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.376 1.127 25536 949 1 2 . 1 1 103 103 ARG CB C 103 30.295 30.295 29.743 0.552 25536 950 1 2 . 1 1 103 103 ARG H H 103 7.932 7.932 8.606 -0.674 25536 951 1 2 . 1 1 104 104 LYS N N 104 114.172 114.172 116.610 -2.438 25536 952 1 2 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.369 -0.147 25536 953 1 2 . 1 1 104 104 LYS C C 104 177.556 177.556 177.842 -0.286 25536 954 1 2 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.594 1.366 25536 955 1 2 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.342 1.885 25536 956 1 2 . 1 1 104 104 LYS H H 104 7.157 7.157 7.917 -0.760 25536 957 1 2 . 1 1 105 105 ASN N N 105 114.145 114.145 117.132 -2.987 25536 958 1 2 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.802 -0.071 25536 959 1 2 . 1 1 105 105 ASN C C 105 172.822 172.822 174.269 -1.447 25536 960 1 2 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.691 0.152 25536 961 1 2 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.912 1.733 25536 962 1 2 . 1 1 105 105 ASN H H 105 7.665 7.665 7.983 -0.318 25536 963 1 2 . 1 1 106 106 LEU N N 106 118.600 118.600 120.765 -2.165 25536 964 1 2 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.749 -0.078 25536 965 1 2 . 1 1 106 106 LEU C C 106 175.658 175.658 174.516 1.142 25536 966 1 2 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.386 -0.228 25536 967 1 2 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.668 -1.103 25536 968 1 2 . 1 1 106 106 LEU H H 106 7.439 7.439 8.178 -0.739 25536 969 1 2 . 1 1 107 107 VAL N N 107 122.739 122.739 126.228 -3.489 25536 970 1 2 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.370 -0.162 25536 971 1 2 . 1 1 107 107 VAL C C 107 176.054 176.054 175.107 0.947 25536 972 1 2 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.213 1.003 25536 973 1 2 . 1 1 107 107 VAL CB C 107 33.580 33.580 34.452 -0.872 25536 974 1 2 . 1 1 107 107 VAL H H 107 8.182 8.182 8.122 0.060 25536 975 1 2 . 1 1 108 108 THR N N 108 120.854 120.854 119.219 1.635 25536 976 1 2 . 1 1 108 108 THR HA H 108 4.336 4.336 4.572 -0.236 25536 977 1 2 . 1 1 108 108 THR C C 108 174.216 174.216 173.567 0.649 25536 978 1 2 . 1 1 108 108 THR CA C 108 62.726 62.726 59.781 2.945 25536 979 1 2 . 1 1 108 108 THR CB C 108 70.080 70.080 70.668 -0.589 25536 980 1 2 . 1 1 108 108 THR H H 108 8.524 8.524 7.954 0.570 25536 981 1 2 . 1 1 109 109 LEU N N 109 125.529 125.529 124.997 0.532 25536 982 1 2 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.340 0.012 25536 983 1 2 . 1 1 109 109 LEU C C 109 176.523 176.523 175.767 0.756 25536 984 1 2 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.319 -0.272 25536 985 1 2 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.056 0.534 25536 986 1 2 . 1 1 109 109 LEU H H 109 8.313 8.313 8.563 -0.250 25536 987 1 2 . 1 1 110 110 ALA N N 110 125.099 125.099 126.016 -0.917 25536 988 1 2 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.567 -0.201 25536 989 1 2 . 1 1 110 110 ALA C C 110 176.847 176.847 175.777 1.070 25536 990 1 2 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.736 0.892 25536 991 1 2 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.193 -1.487 25536 992 1 2 . 1 1 110 110 ALA H H 110 8.257 8.257 8.047 0.210 25536 993 1 3 . 1 1 24 24 ILE N N 24 120.668 120.668 119.601 1.067 25536 994 1 3 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.828 0.319 25536 995 1 3 . 1 1 24 24 ILE C C 24 175.650 175.650 175.305 0.345 25536 996 1 3 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.681 -0.339 25536 997 1 3 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.255 0.812 25536 998 1 3 . 1 1 24 24 ILE H H 24 8.119 8.119 7.834 0.285 25536 999 1 3 . 1 1 25 25 ASN N N 25 122.032 122.032 123.647 -1.615 25536 1000 1 3 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.881 -0.177 25536 1001 1 3 . 1 1 25 25 ASN C C 25 174.775 174.775 173.951 0.824 25536 1002 1 3 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.929 0.801 25536 1003 1 3 . 1 1 25 25 ASN CB C 25 39.406 39.406 38.719 0.687 25536 1004 1 3 . 1 1 25 25 ASN H H 25 8.446 8.446 8.651 -0.205 25536 1005 1 3 . 1 1 26 26 GLN N N 26 118.655 118.655 118.792 -0.137 25536 1006 1 3 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.722 -0.135 25536 1007 1 3 . 1 1 26 26 GLN C C 26 175.291 175.291 174.522 0.769 25536 1008 1 3 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.741 0.961 25536 1009 1 3 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.245 0.014 25536 1010 1 3 . 1 1 26 26 GLN H H 26 8.215 8.215 7.458 0.757 25536 1011 1 3 . 1 1 27 27 VAL N N 27 113.749 113.749 119.638 -5.889 25536 1012 1 3 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.244 0.623 25536 1013 1 3 . 1 1 27 27 VAL C C 27 173.900 173.900 175.295 -1.395 25536 1014 1 3 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.164 -2.048 25536 1015 1 3 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.633 1.471 25536 1016 1 3 . 1 1 27 27 VAL H H 27 9.417 9.417 8.389 1.028 25536 1017 1 3 . 1 1 28 28 ARG N N 28 121.515 121.515 124.966 -3.451 25536 1018 1 3 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.158 0.299 25536 1019 1 3 . 1 1 28 28 ARG C C 28 175.090 175.090 175.065 0.025 25536 1020 1 3 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.425 -0.854 25536 1021 1 3 . 1 1 28 28 ARG CB C 28 33.674 33.674 31.150 2.524 25536 1022 1 3 . 1 1 28 28 ARG H H 28 8.901 8.901 8.457 0.444 25536 1023 1 3 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.309 0.686 25536 1024 1 3 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.552 -0.500 25536 1025 1 3 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.434 -0.172 25536 1026 1 3 . 1 1 30 30 LYS N N 30 121.291 121.291 120.382 0.909 25536 1027 1 3 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.156 0.045 25536 1028 1 3 . 1 1 30 30 LYS C C 30 177.557 177.557 178.477 -0.920 25536 1029 1 3 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.329 1.393 25536 1030 1 3 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.500 0.495 25536 1031 1 3 . 1 1 30 30 LYS H H 30 8.476 8.476 8.680 -0.204 25536 1032 1 3 . 1 1 31 31 LEU N N 31 121.578 121.578 123.488 -1.910 25536 1033 1 3 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.086 -0.031 25536 1034 1 3 . 1 1 31 31 LEU C C 31 174.261 174.261 176.920 -2.659 25536 1035 1 3 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.818 0.378 25536 1036 1 3 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.628 0.222 25536 1037 1 3 . 1 1 31 31 LEU H H 31 8.584 8.584 8.857 -0.273 25536 1038 1 3 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.285 -0.152 25536 1039 1 3 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.292 1.286 25536 1040 1 3 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.278 0.199 25536 1041 1 3 . 1 1 33 33 LEU N N 33 113.190 113.190 118.029 -4.839 25536 1042 1 3 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.157 -0.182 25536 1043 1 3 . 1 1 33 33 LEU C C 33 177.726 177.726 179.234 -1.508 25536 1044 1 3 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.917 -0.777 25536 1045 1 3 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.565 0.282 25536 1046 1 3 . 1 1 33 33 LEU H H 33 6.605 6.605 7.566 -0.961 25536 1047 1 3 . 1 1 34 34 LEU N N 34 121.683 121.683 120.700 0.983 25536 1048 1 3 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.894 -0.512 25536 1049 1 3 . 1 1 34 34 LEU C C 34 177.321 177.321 177.959 -0.638 25536 1050 1 3 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.508 0.729 25536 1051 1 3 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.381 0.530 25536 1052 1 3 . 1 1 34 34 LEU H H 34 8.399 8.399 8.635 -0.236 25536 1053 1 3 . 1 1 35 35 LYS N N 35 114.524 114.524 118.936 -4.412 25536 1054 1 3 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.991 -0.198 25536 1055 1 3 . 1 1 35 35 LYS C C 35 180.207 180.207 178.748 1.459 25536 1056 1 3 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.432 0.639 25536 1057 1 3 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.758 0.711 25536 1058 1 3 . 1 1 35 35 LYS H H 35 7.940 7.940 7.590 0.350 25536 1059 1 3 . 1 1 36 36 ILE N N 36 119.857 119.857 119.424 0.433 25536 1060 1 3 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.594 -0.290 25536 1061 1 3 . 1 1 36 36 ILE C C 36 176.418 176.418 177.648 -1.230 25536 1062 1 3 . 1 1 36 36 ILE CA C 36 64.480 64.480 64.531 -0.051 25536 1063 1 3 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.492 0.112 25536 1064 1 3 . 1 1 36 36 ILE H H 36 6.742 6.742 7.445 -0.703 25536 1065 1 3 . 1 1 37 37 LEU N N 37 116.695 116.695 119.582 -2.887 25536 1066 1 3 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.885 -0.363 25536 1067 1 3 . 1 1 37 37 LEU C C 37 180.263 180.263 179.401 0.862 25536 1068 1 3 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.557 -0.277 25536 1069 1 3 . 1 1 37 37 LEU CB C 37 39.138 39.138 41.271 -2.133 25536 1070 1 3 . 1 1 37 37 LEU H H 37 7.595 7.595 7.495 0.100 25536 1071 1 3 . 1 1 38 38 HIS N N 38 117.829 117.829 117.140 0.689 25536 1072 1 3 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.205 0.477 25536 1073 1 3 . 1 1 38 38 HIS C C 38 180.133 180.133 178.093 2.040 25536 1074 1 3 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.400 -1.109 25536 1075 1 3 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.208 1.203 25536 1076 1 3 . 1 1 38 38 HIS H H 38 8.955 8.955 8.521 0.434 25536 1077 1 3 . 1 1 39 39 ALA N N 39 124.006 124.006 121.857 2.149 25536 1078 1 3 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.238 0.008 25536 1079 1 3 . 1 1 39 39 ALA C C 39 178.835 178.835 178.504 0.331 25536 1080 1 3 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.471 0.614 25536 1081 1 3 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.469 -0.358 25536 1082 1 3 . 1 1 39 39 ALA H H 39 7.945 7.945 8.317 -0.372 25536 1083 1 3 . 1 1 40 40 ALA N N 40 118.201 118.201 119.547 -1.346 25536 1084 1 3 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.393 0.028 25536 1085 1 3 . 1 1 40 40 ALA C C 40 176.261 176.261 177.973 -1.712 25536 1086 1 3 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.441 -0.305 25536 1087 1 3 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.310 0.802 25536 1088 1 3 . 1 1 40 40 ALA H H 40 7.665 7.665 7.525 0.140 25536 1089 1 3 . 1 1 41 41 GLY N N 41 103.920 103.920 107.663 -3.743 25536 1090 1 3 . 1 1 41 41 GLY C C 41 174.412 174.412 173.940 0.472 25536 1091 1 3 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.715 0.252 25536 1092 1 3 . 1 1 41 41 GLY H H 41 7.683 7.683 7.706 -0.023 25536 1093 1 3 . 1 1 42 42 ALA N N 42 123.582 123.582 121.699 1.883 25536 1094 1 3 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.368 0.267 25536 1095 1 3 . 1 1 42 42 ALA C C 42 175.772 175.772 176.982 -1.210 25536 1096 1 3 . 1 1 42 42 ALA CA C 42 52.680 52.680 50.908 1.772 25536 1097 1 3 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.352 0.003 25536 1098 1 3 . 1 1 42 42 ALA H H 42 7.578 7.578 7.790 -0.212 25536 1099 1 3 . 1 1 43 43 GLN N N 43 116.996 116.996 121.569 -4.573 25536 1100 1 3 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.469 -0.120 25536 1101 1 3 . 1 1 43 43 GLN C C 43 175.528 175.528 175.453 0.075 25536 1102 1 3 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.230 -0.579 25536 1103 1 3 . 1 1 43 43 GLN CB C 43 32.414 32.414 28.960 3.454 25536 1104 1 3 . 1 1 43 43 GLN H H 43 8.481 8.481 8.417 0.064 25536 1105 1 3 . 1 1 44 44 GLY N N 44 108.128 108.128 105.739 2.389 25536 1106 1 3 . 1 1 44 44 GLY C C 44 173.892 173.892 172.874 1.018 25536 1107 1 3 . 1 1 44 44 GLY CA C 44 44.698 44.698 44.951 -0.253 25536 1108 1 3 . 1 1 44 44 GLY H H 44 8.510 8.510 7.907 0.603 25536 1109 1 3 . 1 1 45 45 GLU N N 45 114.113 114.113 118.324 -4.211 25536 1110 1 3 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.475 0.133 25536 1111 1 3 . 1 1 45 45 GLU C C 45 174.007 174.007 174.453 -0.446 25536 1112 1 3 . 1 1 45 45 GLU CA C 45 56.829 56.829 56.265 0.564 25536 1113 1 3 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.440 1.611 25536 1114 1 3 . 1 1 45 45 GLU H H 45 8.245 8.245 8.510 -0.265 25536 1115 1 3 . 1 1 46 46 MET N N 46 115.322 115.322 117.517 -2.195 25536 1116 1 3 . 1 1 46 46 MET HA H 46 5.051 5.051 4.427 0.624 25536 1117 1 3 . 1 1 46 46 MET C C 46 174.637 174.637 174.495 0.142 25536 1118 1 3 . 1 1 46 46 MET CA C 46 54.264 54.264 54.390 -0.126 25536 1119 1 3 . 1 1 46 46 MET CB C 46 35.854 35.854 33.919 1.935 25536 1120 1 3 . 1 1 46 46 MET H H 46 6.872 6.872 7.104 -0.232 25536 1121 1 3 . 1 1 47 47 PHE N N 47 119.008 119.008 120.001 -0.993 25536 1122 1 3 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.106 -0.012 25536 1123 1 3 . 1 1 47 47 PHE C C 47 175.742 175.742 175.124 0.618 25536 1124 1 3 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.462 1.876 25536 1125 1 3 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.458 5.454 25536 1126 1 3 . 1 1 47 47 PHE H H 47 8.623 8.623 8.984 -0.361 25536 1127 1 3 . 1 1 48 48 THR N N 48 110.544 110.544 112.496 -1.952 25536 1128 1 3 . 1 1 48 48 THR HA H 48 4.990 4.990 4.543 0.447 25536 1129 1 3 . 1 1 48 48 THR C C 48 176.666 176.666 175.873 0.793 25536 1130 1 3 . 1 1 48 48 THR CA C 48 61.095 61.095 60.353 0.742 25536 1131 1 3 . 1 1 48 48 THR CB C 48 71.136 71.136 70.783 0.353 25536 1132 1 3 . 1 1 48 48 THR H H 48 9.108 9.108 9.374 -0.266 25536 1133 1 3 . 1 1 49 49 VAL N N 49 121.588 121.588 122.064 -0.476 25536 1134 1 3 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.534 -0.153 25536 1135 1 3 . 1 1 49 49 VAL C C 49 177.726 177.726 177.306 0.420 25536 1136 1 3 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.384 0.857 25536 1137 1 3 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.321 0.234 25536 1138 1 3 . 1 1 49 49 VAL H H 49 9.044 9.044 8.998 0.046 25536 1139 1 3 . 1 1 50 50 LYS N N 50 118.341 118.341 116.512 1.829 25536 1140 1 3 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.026 -0.067 25536 1141 1 3 . 1 1 50 50 LYS C C 50 180.060 180.060 177.998 2.062 25536 1142 1 3 . 1 1 50 50 LYS CA C 50 60.356 60.356 58.879 1.477 25536 1143 1 3 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.600 1.239 25536 1144 1 3 . 1 1 50 50 LYS H H 50 8.132 8.132 8.378 -0.246 25536 1145 1 3 . 1 1 51 51 GLU N N 51 119.521 119.521 120.228 -0.707 25536 1146 1 3 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.901 0.145 25536 1147 1 3 . 1 1 51 51 GLU C C 51 178.583 178.583 178.366 0.217 25536 1148 1 3 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.951 0.952 25536 1149 1 3 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.073 1.383 25536 1150 1 3 . 1 1 51 51 GLU H H 51 7.877 7.877 7.410 0.467 25536 1151 1 3 . 1 1 52 52 VAL N N 52 119.044 119.044 117.391 1.653 25536 1152 1 3 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.419 -0.169 25536 1153 1 3 . 1 1 52 52 VAL C C 52 177.546 177.546 178.006 -0.460 25536 1154 1 3 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.774 2.127 25536 1155 1 3 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.606 -0.229 25536 1156 1 3 . 1 1 52 52 VAL H H 52 8.245 8.245 8.335 -0.090 25536 1157 1 3 . 1 1 53 53 MET N N 53 114.669 114.669 116.379 -1.710 25536 1158 1 3 . 1 1 53 53 MET HA H 53 4.198 4.198 3.956 0.242 25536 1159 1 3 . 1 1 53 53 MET C C 53 178.699 178.699 177.098 1.601 25536 1160 1 3 . 1 1 53 53 MET CA C 53 57.748 57.748 58.383 -0.635 25536 1161 1 3 . 1 1 53 53 MET CB C 53 32.680 32.680 31.959 0.721 25536 1162 1 3 . 1 1 53 53 MET H H 53 8.188 8.188 8.041 0.147 25536 1163 1 3 . 1 1 54 54 HIS N N 54 118.909 118.909 120.890 -1.981 25536 1164 1 3 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.124 -0.007 25536 1165 1 3 . 1 1 54 54 HIS C C 54 178.675 178.675 177.064 1.611 25536 1166 1 3 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.536 -0.264 25536 1167 1 3 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.749 0.848 25536 1168 1 3 . 1 1 54 54 HIS H H 54 8.091 8.091 7.457 0.634 25536 1169 1 3 . 1 1 55 55 TYR N N 55 116.769 116.769 116.845 -0.076 25536 1170 1 3 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.242 -0.390 25536 1171 1 3 . 1 1 55 55 TYR C C 55 177.794 177.794 177.980 -0.186 25536 1172 1 3 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.676 3.041 25536 1173 1 3 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.133 1.996 25536 1174 1 3 . 1 1 55 55 TYR H H 55 8.468 8.468 7.281 1.187 25536 1175 1 3 . 1 1 56 56 LEU N N 56 120.819 120.819 120.500 0.319 25536 1176 1 3 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.948 -0.139 25536 1177 1 3 . 1 1 56 56 LEU C C 56 178.484 178.484 179.116 -0.632 25536 1178 1 3 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.503 1.119 25536 1179 1 3 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.166 1.415 25536 1180 1 3 . 1 1 56 56 LEU H H 56 8.455 8.455 7.278 1.177 25536 1181 1 3 . 1 1 57 57 GLY N N 57 104.896 104.896 107.050 -2.154 25536 1182 1 3 . 1 1 57 57 GLY C C 57 175.647 175.647 175.787 -0.140 25536 1183 1 3 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.305 -0.066 25536 1184 1 3 . 1 1 57 57 GLY H H 57 7.691 7.691 8.262 -0.571 25536 1185 1 3 . 1 1 58 58 GLN N N 58 119.080 119.080 121.862 -2.782 25536 1186 1 3 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.982 -0.170 25536 1187 1 3 . 1 1 58 58 GLN C C 58 177.429 177.429 177.724 -0.295 25536 1188 1 3 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.550 0.128 25536 1189 1 3 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.378 0.497 25536 1190 1 3 . 1 1 58 58 GLN H H 58 7.704 7.704 8.160 -0.456 25536 1191 1 3 . 1 1 59 59 TYR N N 59 120.995 120.995 122.211 -1.216 25536 1192 1 3 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.211 -0.407 25536 1193 1 3 . 1 1 59 59 TYR C C 59 176.215 176.215 177.477 -1.262 25536 1194 1 3 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.152 0.413 25536 1195 1 3 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.705 -0.086 25536 1196 1 3 . 1 1 59 59 TYR H H 59 8.500 8.500 8.021 0.479 25536 1197 1 3 . 1 1 60 60 ILE N N 60 116.532 116.532 119.678 -3.146 25536 1198 1 3 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.595 -0.292 25536 1199 1 3 . 1 1 60 60 ILE C C 60 177.952 177.952 178.093 -0.141 25536 1200 1 3 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.433 0.114 25536 1201 1 3 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.000 0.431 25536 1202 1 3 . 1 1 60 60 ILE H H 60 7.585 7.585 8.712 -1.127 25536 1203 1 3 . 1 1 61 61 MET N N 61 115.556 115.556 119.100 -3.544 25536 1204 1 3 . 1 1 61 61 MET HA H 61 4.547 4.547 4.333 0.214 25536 1205 1 3 . 1 1 61 61 MET C C 61 180.579 180.579 178.337 2.242 25536 1206 1 3 . 1 1 61 61 MET CA C 61 57.563 57.563 58.246 -0.683 25536 1207 1 3 . 1 1 61 61 MET CB C 61 31.473 31.473 32.216 -0.743 25536 1208 1 3 . 1 1 61 61 MET H H 61 7.707 7.707 8.098 -0.391 25536 1209 1 3 . 1 1 62 62 VAL N N 62 120.872 120.872 118.465 2.407 25536 1210 1 3 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.724 0.104 25536 1211 1 3 . 1 1 62 62 VAL C C 62 178.786 178.786 177.533 1.253 25536 1212 1 3 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.662 1.450 25536 1213 1 3 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.035 -0.044 25536 1214 1 3 . 1 1 62 62 VAL H H 62 9.009 9.009 8.362 0.647 25536 1215 1 3 . 1 1 63 63 LYS N N 63 116.652 116.652 117.738 -1.086 25536 1216 1 3 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.101 -0.044 25536 1217 1 3 . 1 1 63 63 LYS C C 63 174.784 174.784 175.748 -0.964 25536 1218 1 3 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.460 0.623 25536 1219 1 3 . 1 1 63 63 LYS CB C 63 31.461 31.461 31.965 -0.504 25536 1220 1 3 . 1 1 63 63 LYS H H 63 7.812 7.812 8.007 -0.195 25536 1221 1 3 . 1 1 64 64 GLN N N 64 115.445 115.445 114.228 1.217 25536 1222 1 3 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.397 0.209 25536 1223 1 3 . 1 1 64 64 GLN C C 64 175.550 175.550 174.924 0.626 25536 1224 1 3 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.470 0.509 25536 1225 1 3 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.196 1.052 25536 1226 1 3 . 1 1 64 64 GLN H H 64 7.642 7.642 7.930 -0.288 25536 1227 1 3 . 1 1 65 65 LEU N N 65 115.724 115.724 118.286 -2.562 25536 1228 1 3 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.332 0.125 25536 1229 1 3 . 1 1 65 65 LEU C C 65 175.979 175.979 175.408 0.571 25536 1230 1 3 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.072 0.582 25536 1231 1 3 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.689 0.261 25536 1232 1 3 . 1 1 65 65 LEU H H 65 8.097 8.097 7.063 1.034 25536 1233 1 3 . 1 1 66 66 TYR N N 66 112.953 112.953 114.814 -1.861 25536 1234 1 3 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.152 0.140 25536 1235 1 3 . 1 1 66 66 TYR C C 66 173.941 173.941 174.445 -0.504 25536 1236 1 3 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.449 1.180 25536 1237 1 3 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.462 -0.714 25536 1238 1 3 . 1 1 66 66 TYR H H 66 6.856 6.856 6.766 0.090 25536 1239 1 3 . 1 1 67 67 ASP N N 67 122.196 122.196 120.895 1.301 25536 1240 1 3 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.784 -0.346 25536 1241 1 3 . 1 1 67 67 ASP C C 67 176.779 176.779 177.231 -0.452 25536 1242 1 3 . 1 1 67 67 ASP CA C 67 53.980 53.980 54.416 -0.437 25536 1243 1 3 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.477 0.055 25536 1244 1 3 . 1 1 67 67 ASP H H 67 8.324 8.324 8.490 -0.166 25536 1245 1 3 . 1 1 68 68 GLN N N 68 123.042 123.042 122.372 0.670 25536 1246 1 3 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.235 -0.349 25536 1247 1 3 . 1 1 68 68 GLN C C 68 177.122 177.122 177.518 -0.396 25536 1248 1 3 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.146 0.885 25536 1249 1 3 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.628 0.459 25536 1250 1 3 . 1 1 68 68 GLN H H 68 8.563 8.563 8.683 -0.120 25536 1251 1 3 . 1 1 69 69 GLN N N 69 115.263 115.263 116.975 -1.712 25536 1252 1 3 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.263 0.094 25536 1253 1 3 . 1 1 69 69 GLN C C 69 176.272 176.272 176.462 -0.190 25536 1254 1 3 . 1 1 69 69 GLN CA C 69 57.129 57.129 56.776 0.353 25536 1255 1 3 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.417 0.707 25536 1256 1 3 . 1 1 69 69 GLN H H 69 8.356 8.356 8.256 0.100 25536 1257 1 3 . 1 1 70 70 GLU N N 70 122.549 122.549 119.759 2.790 25536 1258 1 3 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.452 0.067 25536 1259 1 3 . 1 1 70 70 GLU C C 70 175.953 175.953 175.687 0.266 25536 1260 1 3 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.233 -0.276 25536 1261 1 3 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.724 -0.164 25536 1262 1 3 . 1 1 70 70 GLU H H 70 8.227 8.227 7.651 0.576 25536 1263 1 3 . 1 1 71 71 GLN N N 71 118.815 118.815 121.558 -2.743 25536 1264 1 3 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.636 0.916 25536 1265 1 3 . 1 1 71 71 GLN C C 71 174.842 174.842 176.394 -1.552 25536 1266 1 3 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.258 1.439 25536 1267 1 3 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.299 -0.369 25536 1268 1 3 . 1 1 71 71 GLN H H 71 8.253 8.253 8.710 -0.457 25536 1269 1 3 . 1 1 72 72 HIS N N 72 111.141 111.141 111.009 0.132 25536 1270 1 3 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.460 -0.287 25536 1271 1 3 . 1 1 72 72 HIS C C 72 173.749 173.749 174.669 -0.920 25536 1272 1 3 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.145 1.114 25536 1273 1 3 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.523 1.549 25536 1274 1 3 . 1 1 72 72 HIS H H 72 7.412 7.412 7.343 0.069 25536 1275 1 3 . 1 1 73 73 MET N N 73 119.350 119.350 121.494 -2.144 25536 1276 1 3 . 1 1 73 73 MET HA H 73 4.584 4.584 4.468 0.116 25536 1277 1 3 . 1 1 73 73 MET C C 73 174.311 174.311 173.984 0.327 25536 1278 1 3 . 1 1 73 73 MET CA C 73 53.186 53.186 54.185 -0.999 25536 1279 1 3 . 1 1 73 73 MET CB C 73 31.731 31.731 33.285 -1.554 25536 1280 1 3 . 1 1 73 73 MET H H 73 7.766 7.766 7.320 0.446 25536 1281 1 3 . 1 1 74 74 VAL N N 74 122.542 122.542 126.982 -4.440 25536 1282 1 3 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.317 -0.369 25536 1283 1 3 . 1 1 74 74 VAL C C 74 174.756 174.756 174.165 0.591 25536 1284 1 3 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.035 0.587 25536 1285 1 3 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.714 0.100 25536 1286 1 3 . 1 1 74 74 VAL H H 74 8.456 8.456 8.512 -0.056 25536 1287 1 3 . 1 1 75 75 TYR N N 75 125.680 125.680 125.976 -0.296 25536 1288 1 3 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.227 -0.468 25536 1289 1 3 . 1 1 75 75 TYR C C 75 174.923 174.923 174.915 0.008 25536 1290 1 3 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.258 0.554 25536 1291 1 3 . 1 1 75 75 TYR CB C 75 38.849 38.849 40.353 -1.504 25536 1292 1 3 . 1 1 75 75 TYR H H 75 8.213 8.213 9.030 -0.817 25536 1293 1 3 . 1 1 76 76 CYS N N 76 116.702 116.702 120.474 -3.772 25536 1294 1 3 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.768 -0.029 25536 1295 1 3 . 1 1 76 76 CYS C C 76 174.231 174.231 175.353 -1.122 25536 1296 1 3 . 1 1 76 76 CYS CA C 76 56.103 56.103 57.811 -1.708 25536 1297 1 3 . 1 1 76 76 CYS CB C 76 29.697 29.697 28.921 0.777 25536 1298 1 3 . 1 1 76 76 CYS H H 76 8.307 8.307 9.128 -0.821 25536 1299 1 3 . 1 1 77 77 GLY N N 77 111.569 111.569 109.669 1.900 25536 1300 1 3 . 1 1 77 77 GLY C C 77 174.662 174.662 175.093 -0.431 25536 1301 1 3 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.722 0.427 25536 1302 1 3 . 1 1 77 77 GLY H H 77 8.484 8.484 8.198 0.286 25536 1303 1 3 . 1 1 78 78 GLY N N 78 113.022 113.022 113.166 -0.144 25536 1304 1 3 . 1 1 78 78 GLY C C 78 172.811 172.811 173.918 -1.107 25536 1305 1 3 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.747 1.013 25536 1306 1 3 . 1 1 78 78 GLY H H 78 8.889 8.889 8.517 0.372 25536 1307 1 3 . 1 1 79 79 ASP N N 79 119.431 119.431 120.040 -0.609 25536 1308 1 3 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.767 0.121 25536 1309 1 3 . 1 1 79 79 ASP C C 79 176.302 176.302 176.862 -0.560 25536 1310 1 3 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.547 -0.454 25536 1311 1 3 . 1 1 79 79 ASP CB C 79 47.264 47.264 43.087 4.177 25536 1312 1 3 . 1 1 79 79 ASP H H 79 7.789 7.789 7.905 -0.116 25536 1313 1 3 . 1 1 80 80 LEU N N 80 128.421 128.421 124.704 3.717 25536 1314 1 3 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.086 -0.022 25536 1315 1 3 . 1 1 80 80 LEU C C 80 179.059 179.059 178.704 0.355 25536 1316 1 3 . 1 1 80 80 LEU CA C 80 58.803 58.803 58.185 0.618 25536 1317 1 3 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.212 0.190 25536 1318 1 3 . 1 1 80 80 LEU H H 80 8.549 8.549 9.042 -0.493 25536 1319 1 3 . 1 1 81 81 LEU N N 81 118.633 118.633 120.173 -1.540 25536 1320 1 3 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.846 0.021 25536 1321 1 3 . 1 1 81 81 LEU C C 81 178.542 178.542 178.377 0.165 25536 1322 1 3 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.363 0.408 25536 1323 1 3 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.283 1.366 25536 1324 1 3 . 1 1 81 81 LEU H H 81 9.973 9.973 8.738 1.235 25536 1325 1 3 . 1 1 82 82 GLY N N 82 105.564 105.564 104.991 0.573 25536 1326 1 3 . 1 1 82 82 GLY C C 82 176.907 176.907 175.816 1.091 25536 1327 1 3 . 1 1 82 82 GLY CA C 82 48.063 48.063 46.905 1.158 25536 1328 1 3 . 1 1 82 82 GLY H H 82 7.559 7.559 7.537 0.022 25536 1329 1 3 . 1 1 83 83 GLU N N 83 121.706 121.706 122.503 -0.797 25536 1330 1 3 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.073 -0.091 25536 1331 1 3 . 1 1 83 83 GLU C C 83 179.215 179.215 178.274 0.941 25536 1332 1 3 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.708 0.453 25536 1333 1 3 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.294 0.199 25536 1334 1 3 . 1 1 83 83 GLU H H 83 7.536 7.536 7.966 -0.430 25536 1335 1 3 . 1 1 84 84 LEU N N 84 118.455 118.455 119.825 -1.370 25536 1336 1 3 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.030 -0.006 25536 1337 1 3 . 1 1 84 84 LEU C C 84 178.842 178.842 178.420 0.422 25536 1338 1 3 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.533 -0.058 25536 1339 1 3 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.233 0.254 25536 1340 1 3 . 1 1 84 84 LEU H H 84 7.701 7.701 8.104 -0.403 25536 1341 1 3 . 1 1 85 85 LEU N N 85 115.271 115.271 116.404 -1.133 25536 1342 1 3 . 1 1 85 85 LEU HA H 85 3.776 3.776 4.176 -0.400 25536 1343 1 3 . 1 1 85 85 LEU C C 85 177.773 177.773 177.560 0.213 25536 1344 1 3 . 1 1 85 85 LEU CA C 85 56.375 56.375 55.476 0.899 25536 1345 1 3 . 1 1 85 85 LEU CB C 85 43.893 43.893 43.015 0.878 25536 1346 1 3 . 1 1 85 85 LEU H H 85 8.117 8.117 7.897 0.220 25536 1347 1 3 . 1 1 86 86 GLY N N 86 107.216 107.216 106.025 1.191 25536 1348 1 3 . 1 1 86 86 GLY C C 86 174.090 174.090 173.871 0.219 25536 1349 1 3 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.664 0.650 25536 1350 1 3 . 1 1 86 86 GLY H H 86 7.983 7.983 8.059 -0.076 25536 1351 1 3 . 1 1 87 87 ARG N N 87 113.296 113.296 116.772 -3.476 25536 1352 1 3 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.703 -0.049 25536 1353 1 3 . 1 1 87 87 ARG C C 87 174.720 174.720 175.087 -0.367 25536 1354 1 3 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.842 0.437 25536 1355 1 3 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.824 2.571 25536 1356 1 3 . 1 1 87 87 ARG H H 87 7.411 7.411 7.510 -0.099 25536 1357 1 3 . 1 1 88 88 GLN N N 88 115.575 115.575 120.371 -4.796 25536 1358 1 3 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.344 -0.291 25536 1359 1 3 . 1 1 88 88 GLN C C 88 175.946 175.946 175.255 0.691 25536 1360 1 3 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.554 -0.143 25536 1361 1 3 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.106 0.684 25536 1362 1 3 . 1 1 88 88 GLN H H 88 8.653 8.653 8.860 -0.207 25536 1363 1 3 . 1 1 89 89 SER N N 89 110.451 110.451 112.441 -1.990 25536 1364 1 3 . 1 1 89 89 SER HA H 89 5.428 5.428 5.356 0.071 25536 1365 1 3 . 1 1 89 89 SER C C 89 173.062 173.062 173.013 0.049 25536 1366 1 3 . 1 1 89 89 SER CA C 89 57.011 57.011 56.861 0.150 25536 1367 1 3 . 1 1 89 89 SER CB C 89 66.560 66.560 65.871 0.689 25536 1368 1 3 . 1 1 89 89 SER H H 89 7.625 7.625 7.606 0.019 25536 1369 1 3 . 1 1 90 90 PHE N N 90 115.159 115.159 116.964 -1.805 25536 1370 1 3 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.916 -0.231 25536 1371 1 3 . 1 1 90 90 PHE C C 90 170.337 170.337 172.316 -1.979 25536 1372 1 3 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.336 -0.138 25536 1373 1 3 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.316 0.096 25536 1374 1 3 . 1 1 90 90 PHE H H 90 8.549 8.549 7.908 0.641 25536 1375 1 3 . 1 1 91 91 SER N N 91 113.637 113.637 114.476 -0.839 25536 1376 1 3 . 1 1 91 91 SER HA H 91 5.350 5.350 5.174 0.176 25536 1377 1 3 . 1 1 91 91 SER C C 91 178.100 178.100 176.341 1.759 25536 1378 1 3 . 1 1 91 91 SER CA C 91 54.748 54.748 54.590 0.158 25536 1379 1 3 . 1 1 91 91 SER CB C 91 65.325 65.325 65.780 -0.455 25536 1380 1 3 . 1 1 91 91 SER H H 91 9.010 9.010 8.418 0.592 25536 1381 1 3 . 1 1 92 92 VAL N N 92 120.560 120.560 122.356 -1.796 25536 1382 1 3 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.998 -0.090 25536 1383 1 3 . 1 1 92 92 VAL C C 92 175.704 175.704 176.323 -0.619 25536 1384 1 3 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.073 -1.073 25536 1385 1 3 . 1 1 92 92 VAL CB C 92 30.800 30.800 32.073 -1.273 25536 1386 1 3 . 1 1 92 92 VAL H H 92 8.948 8.948 8.688 0.260 25536 1387 1 3 . 1 1 93 93 LYS N N 93 116.481 116.481 118.901 -2.420 25536 1388 1 3 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.347 -0.400 25536 1389 1 3 . 1 1 93 93 LYS C C 93 177.088 177.088 176.314 0.774 25536 1390 1 3 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.813 0.886 25536 1391 1 3 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.175 -0.917 25536 1392 1 3 . 1 1 93 93 LYS H H 93 8.086 8.086 7.720 0.366 25536 1393 1 3 . 1 1 94 94 ASP N N 94 114.885 114.885 119.416 -4.531 25536 1394 1 3 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.125 -0.183 25536 1395 1 3 . 1 1 94 94 ASP C C 94 173.021 173.021 175.234 -2.213 25536 1396 1 3 . 1 1 94 94 ASP CA C 94 51.589 51.589 52.187 -0.598 25536 1397 1 3 . 1 1 94 94 ASP CB C 94 41.445 41.445 42.401 -0.956 25536 1398 1 3 . 1 1 94 94 ASP H H 94 7.399 7.399 7.830 -0.431 25536 1399 1 3 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.689 -0.271 25536 1400 1 3 . 1 1 95 95 PRO CA C 95 63.647 63.647 64.460 -0.813 25536 1401 1 3 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.441 0.319 25536 1402 1 3 . 1 1 96 96 SER N N 96 118.790 118.790 116.403 2.387 25536 1403 1 3 . 1 1 96 96 SER HA H 96 4.219 4.219 4.230 -0.011 25536 1404 1 3 . 1 1 96 96 SER C C 96 173.615 173.615 174.380 -0.765 25536 1405 1 3 . 1 1 96 96 SER CA C 96 64.525 64.525 62.795 1.730 25536 1406 1 3 . 1 1 96 96 SER CB C 96 61.994 61.994 61.090 0.904 25536 1407 1 3 . 1 1 96 96 SER H H 96 8.052 8.052 8.682 -0.630 25536 1408 1 3 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.376 -0.029 25536 1409 1 3 . 1 1 97 97 PRO CA C 97 66.016 66.016 64.995 1.021 25536 1410 1 3 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.448 0.164 25536 1411 1 3 . 1 1 98 98 LEU N N 98 117.938 117.938 120.320 -2.382 25536 1412 1 3 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.876 -0.280 25536 1413 1 3 . 1 1 98 98 LEU C C 98 178.196 178.196 179.088 -0.892 25536 1414 1 3 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.757 -0.473 25536 1415 1 3 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.235 0.174 25536 1416 1 3 . 1 1 98 98 LEU H H 98 7.076 7.076 7.710 -0.634 25536 1417 1 3 . 1 1 99 99 TYR N N 99 117.957 117.957 117.116 0.841 25536 1418 1 3 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.038 0.112 25536 1419 1 3 . 1 1 99 99 TYR C C 99 178.767 178.767 178.233 0.534 25536 1420 1 3 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.801 -0.578 25536 1421 1 3 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.669 -0.631 25536 1422 1 3 . 1 1 99 99 TYR H H 99 7.547 7.547 7.836 -0.289 25536 1423 1 3 . 1 1 100 100 ASP N N 100 119.536 119.536 119.701 -0.165 25536 1424 1 3 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.392 -0.066 25536 1425 1 3 . 1 1 100 100 ASP C C 100 177.737 177.737 178.156 -0.419 25536 1426 1 3 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.092 0.783 25536 1427 1 3 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.971 0.169 25536 1428 1 3 . 1 1 100 100 ASP H H 100 8.292 8.292 7.746 0.546 25536 1429 1 3 . 1 1 101 101 MET N N 101 118.757 118.757 117.842 0.915 25536 1430 1 3 . 1 1 101 101 MET HA H 101 3.964 3.964 4.194 -0.230 25536 1431 1 3 . 1 1 101 101 MET C C 101 180.006 180.006 177.281 2.725 25536 1432 1 3 . 1 1 101 101 MET CA C 101 59.710 59.710 58.636 1.074 25536 1433 1 3 . 1 1 101 101 MET CB C 101 31.642 31.642 32.498 -0.856 25536 1434 1 3 . 1 1 101 101 MET H H 101 7.226 7.226 7.697 -0.471 25536 1435 1 3 . 1 1 102 102 LEU N N 102 121.624 121.624 119.203 2.421 25536 1436 1 3 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.060 -0.364 25536 1437 1 3 . 1 1 102 102 LEU C C 102 178.566 178.566 179.050 -0.484 25536 1438 1 3 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.939 1.988 25536 1439 1 3 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.586 -0.101 25536 1440 1 3 . 1 1 102 102 LEU H H 102 8.472 8.472 7.638 0.834 25536 1441 1 3 . 1 1 103 103 ARG N N 103 117.111 117.111 118.445 -1.334 25536 1442 1 3 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.003 -0.033 25536 1443 1 3 . 1 1 103 103 ARG C C 103 178.818 178.818 178.064 0.754 25536 1444 1 3 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.401 0.102 25536 1445 1 3 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.299 -0.004 25536 1446 1 3 . 1 1 103 103 ARG H H 103 7.932 7.932 8.364 -0.432 25536 1447 1 3 . 1 1 104 104 LYS N N 104 114.172 114.172 113.122 1.050 25536 1448 1 3 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.442 -0.220 25536 1449 1 3 . 1 1 104 104 LYS C C 104 177.556 177.556 176.987 0.569 25536 1450 1 3 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.342 1.618 25536 1451 1 3 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.081 2.146 25536 1452 1 3 . 1 1 104 104 LYS H H 104 7.157 7.157 7.664 -0.507 25536 1453 1 3 . 1 1 105 105 ASN N N 105 114.145 114.145 117.052 -2.907 25536 1454 1 3 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.796 -0.065 25536 1455 1 3 . 1 1 105 105 ASN C C 105 172.822 172.822 174.852 -2.030 25536 1456 1 3 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.177 0.666 25536 1457 1 3 . 1 1 105 105 ASN CB C 105 42.645 42.645 41.404 1.241 25536 1458 1 3 . 1 1 105 105 ASN H H 105 7.665 7.665 7.952 -0.287 25536 1459 1 3 . 1 1 106 106 LEU N N 106 118.600 118.600 121.881 -3.281 25536 1460 1 3 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.719 -0.048 25536 1461 1 3 . 1 1 106 106 LEU C C 106 175.658 175.658 174.756 0.902 25536 1462 1 3 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.096 0.062 25536 1463 1 3 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.337 -0.772 25536 1464 1 3 . 1 1 106 106 LEU H H 106 7.439 7.439 8.117 -0.678 25536 1465 1 3 . 1 1 107 107 VAL N N 107 122.739 122.739 126.330 -3.591 25536 1466 1 3 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.208 0.000 25536 1467 1 3 . 1 1 107 107 VAL C C 107 176.054 176.054 175.166 0.888 25536 1468 1 3 . 1 1 107 107 VAL CA C 107 62.216 62.216 62.712 -0.496 25536 1469 1 3 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.712 0.868 25536 1470 1 3 . 1 1 107 107 VAL H H 107 8.182 8.182 8.342 -0.160 25536 1471 1 3 . 1 1 108 108 THR N N 108 120.854 120.854 118.433 2.421 25536 1472 1 3 . 1 1 108 108 THR HA H 108 4.336 4.336 4.544 -0.208 25536 1473 1 3 . 1 1 108 108 THR C C 108 174.216 174.216 174.824 -0.608 25536 1474 1 3 . 1 1 108 108 THR CA C 108 62.726 62.726 60.331 2.395 25536 1475 1 3 . 1 1 108 108 THR CB C 108 70.080 70.080 70.766 -0.686 25536 1476 1 3 . 1 1 108 108 THR H H 108 8.524 8.524 7.942 0.582 25536 1477 1 3 . 1 1 109 109 LEU N N 109 125.529 125.529 124.605 0.924 25536 1478 1 3 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.368 -0.016 25536 1479 1 3 . 1 1 109 109 LEU C C 109 176.523 176.523 175.912 0.611 25536 1480 1 3 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.343 -0.296 25536 1481 1 3 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.143 0.447 25536 1482 1 3 . 1 1 109 109 LEU H H 109 8.313 8.313 8.629 -0.316 25536 1483 1 3 . 1 1 110 110 ALA N N 110 125.099 125.099 122.392 2.707 25536 1484 1 3 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.267 0.099 25536 1485 1 3 . 1 1 110 110 ALA C C 110 176.847 176.847 176.415 0.432 25536 1486 1 3 . 1 1 110 110 ALA CA C 110 52.628 52.628 53.159 -0.531 25536 1487 1 3 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.485 0.221 25536 1488 1 3 . 1 1 110 110 ALA H H 110 8.257 8.257 7.524 0.733 25536 1489 1 4 . 1 1 24 24 ILE N N 24 120.668 120.668 119.860 0.808 25536 1490 1 4 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.791 0.356 25536 1491 1 4 . 1 1 24 24 ILE C C 24 175.650 175.650 175.585 0.065 25536 1492 1 4 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.542 -0.201 25536 1493 1 4 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.167 0.900 25536 1494 1 4 . 1 1 24 24 ILE H H 24 8.119 8.119 7.863 0.256 25536 1495 1 4 . 1 1 25 25 ASN N N 25 122.032 122.032 123.258 -1.226 25536 1496 1 4 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.836 -0.132 25536 1497 1 4 . 1 1 25 25 ASN C C 25 174.775 174.775 174.165 0.610 25536 1498 1 4 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.760 0.970 25536 1499 1 4 . 1 1 25 25 ASN CB C 25 39.406 39.406 38.323 1.083 25536 1500 1 4 . 1 1 25 25 ASN H H 25 8.446 8.446 8.500 -0.054 25536 1501 1 4 . 1 1 26 26 GLN N N 26 118.655 118.655 117.535 1.120 25536 1502 1 4 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.623 -0.036 25536 1503 1 4 . 1 1 26 26 GLN C C 26 175.291 175.291 174.457 0.834 25536 1504 1 4 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.126 1.576 25536 1505 1 4 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.545 -0.287 25536 1506 1 4 . 1 1 26 26 GLN H H 26 8.215 8.215 7.553 0.662 25536 1507 1 4 . 1 1 27 27 VAL N N 27 113.749 113.749 119.943 -6.194 25536 1508 1 4 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.293 0.574 25536 1509 1 4 . 1 1 27 27 VAL C C 27 173.900 173.900 175.039 -1.139 25536 1510 1 4 . 1 1 27 27 VAL CA C 27 59.116 59.116 61.025 -1.909 25536 1511 1 4 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.990 2.114 25536 1512 1 4 . 1 1 27 27 VAL H H 27 9.417 9.417 8.459 0.958 25536 1513 1 4 . 1 1 28 28 ARG N N 28 121.515 121.515 123.781 -2.266 25536 1514 1 4 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.285 0.172 25536 1515 1 4 . 1 1 28 28 ARG C C 28 175.090 175.090 174.186 0.904 25536 1516 1 4 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.346 -0.776 25536 1517 1 4 . 1 1 28 28 ARG CB C 28 33.674 33.674 29.827 3.847 25536 1518 1 4 . 1 1 28 28 ARG H H 28 8.901 8.901 8.365 0.536 25536 1519 1 4 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.430 0.565 25536 1520 1 4 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.426 -0.374 25536 1521 1 4 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.560 -0.299 25536 1522 1 4 . 1 1 30 30 LYS N N 30 121.291 121.291 119.367 1.924 25536 1523 1 4 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.201 0.000 25536 1524 1 4 . 1 1 30 30 LYS C C 30 177.557 177.557 178.278 -0.721 25536 1525 1 4 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.164 1.558 25536 1526 1 4 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.760 0.235 25536 1527 1 4 . 1 1 30 30 LYS H H 30 8.476 8.476 8.807 -0.331 25536 1528 1 4 . 1 1 31 31 LEU N N 31 121.578 121.578 124.780 -3.202 25536 1529 1 4 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.155 -0.100 25536 1530 1 4 . 1 1 31 31 LEU C C 31 174.261 174.261 175.904 -1.643 25536 1531 1 4 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.569 0.627 25536 1532 1 4 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.768 0.082 25536 1533 1 4 . 1 1 31 31 LEU H H 31 8.584 8.584 8.932 -0.348 25536 1534 1 4 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.302 -0.169 25536 1535 1 4 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.319 1.259 25536 1536 1 4 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.476 0.001 25536 1537 1 4 . 1 1 33 33 LEU N N 33 113.190 113.190 118.805 -5.615 25536 1538 1 4 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.180 -0.205 25536 1539 1 4 . 1 1 33 33 LEU C C 33 177.726 177.726 179.279 -1.553 25536 1540 1 4 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.377 -1.237 25536 1541 1 4 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.673 0.174 25536 1542 1 4 . 1 1 33 33 LEU H H 33 6.605 6.605 7.504 -0.899 25536 1543 1 4 . 1 1 34 34 LEU N N 34 121.683 121.683 120.917 0.766 25536 1544 1 4 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.860 -0.478 25536 1545 1 4 . 1 1 34 34 LEU C C 34 177.321 177.321 177.771 -0.450 25536 1546 1 4 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.529 0.708 25536 1547 1 4 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.351 0.560 25536 1548 1 4 . 1 1 34 34 LEU H H 34 8.399 8.399 8.673 -0.274 25536 1549 1 4 . 1 1 35 35 LYS N N 35 114.524 114.524 118.733 -4.209 25536 1550 1 4 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.028 -0.235 25536 1551 1 4 . 1 1 35 35 LYS C C 35 180.207 180.207 178.730 1.477 25536 1552 1 4 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.206 0.864 25536 1553 1 4 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.715 0.755 25536 1554 1 4 . 1 1 35 35 LYS H H 35 7.940 7.940 7.531 0.409 25536 1555 1 4 . 1 1 36 36 ILE N N 36 119.857 119.857 119.696 0.161 25536 1556 1 4 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.732 -0.428 25536 1557 1 4 . 1 1 36 36 ILE C C 36 176.418 176.418 177.883 -1.465 25536 1558 1 4 . 1 1 36 36 ILE CA C 36 64.480 64.480 64.546 -0.066 25536 1559 1 4 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.465 0.139 25536 1560 1 4 . 1 1 36 36 ILE H H 36 6.742 6.742 7.443 -0.701 25536 1561 1 4 . 1 1 37 37 LEU N N 37 116.695 116.695 119.393 -2.698 25536 1562 1 4 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.940 -0.418 25536 1563 1 4 . 1 1 37 37 LEU C C 37 180.263 180.263 179.364 0.899 25536 1564 1 4 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.487 -0.207 25536 1565 1 4 . 1 1 37 37 LEU CB C 37 39.138 39.138 41.094 -1.956 25536 1566 1 4 . 1 1 37 37 LEU H H 37 7.595 7.595 7.472 0.123 25536 1567 1 4 . 1 1 38 38 HIS N N 38 117.829 117.829 117.679 0.150 25536 1568 1 4 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.222 0.460 25536 1569 1 4 . 1 1 38 38 HIS C C 38 180.133 180.133 178.062 2.071 25536 1570 1 4 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.505 -1.214 25536 1571 1 4 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.067 1.344 25536 1572 1 4 . 1 1 38 38 HIS H H 38 8.955 8.955 8.363 0.593 25536 1573 1 4 . 1 1 39 39 ALA N N 39 124.006 124.006 122.035 1.971 25536 1574 1 4 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.227 0.019 25536 1575 1 4 . 1 1 39 39 ALA C C 39 178.835 178.835 178.590 0.245 25536 1576 1 4 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.556 0.529 25536 1577 1 4 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.461 -0.350 25536 1578 1 4 . 1 1 39 39 ALA H H 39 7.945 7.945 8.270 -0.325 25536 1579 1 4 . 1 1 40 40 ALA N N 40 118.201 118.201 119.298 -1.097 25536 1580 1 4 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.371 0.050 25536 1581 1 4 . 1 1 40 40 ALA C C 40 176.261 176.261 178.099 -1.838 25536 1582 1 4 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.526 -0.390 25536 1583 1 4 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.275 0.837 25536 1584 1 4 . 1 1 40 40 ALA H H 40 7.665 7.665 7.641 0.024 25536 1585 1 4 . 1 1 41 41 GLY N N 41 103.920 103.920 107.623 -3.703 25536 1586 1 4 . 1 1 41 41 GLY C C 41 174.412 174.412 174.314 0.098 25536 1587 1 4 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.736 0.231 25536 1588 1 4 . 1 1 41 41 GLY H H 41 7.683 7.683 7.753 -0.070 25536 1589 1 4 . 1 1 42 42 ALA N N 42 123.582 123.582 122.071 1.511 25536 1590 1 4 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.648 -0.013 25536 1591 1 4 . 1 1 42 42 ALA C C 42 175.772 175.772 177.306 -1.534 25536 1592 1 4 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.853 0.827 25536 1593 1 4 . 1 1 42 42 ALA CB C 42 19.356 19.356 18.995 0.361 25536 1594 1 4 . 1 1 42 42 ALA H H 42 7.578 7.578 7.605 -0.027 25536 1595 1 4 . 1 1 43 43 GLN N N 43 116.996 116.996 122.706 -5.710 25536 1596 1 4 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.527 -0.177 25536 1597 1 4 . 1 1 43 43 GLN C C 43 175.528 175.528 175.722 -0.194 25536 1598 1 4 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.623 -0.973 25536 1599 1 4 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.157 3.257 25536 1600 1 4 . 1 1 43 43 GLN H H 43 8.481 8.481 8.636 -0.155 25536 1601 1 4 . 1 1 44 44 GLY N N 44 108.128 108.128 105.869 2.259 25536 1602 1 4 . 1 1 44 44 GLY C C 44 173.892 173.892 172.700 1.192 25536 1603 1 4 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.099 -0.401 25536 1604 1 4 . 1 1 44 44 GLY H H 44 8.510 8.510 7.944 0.566 25536 1605 1 4 . 1 1 45 45 GLU N N 45 114.113 114.113 117.930 -3.817 25536 1606 1 4 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.478 0.130 25536 1607 1 4 . 1 1 45 45 GLU C C 45 174.007 174.007 174.504 -0.497 25536 1608 1 4 . 1 1 45 45 GLU CA C 45 56.829 56.829 56.329 0.500 25536 1609 1 4 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.750 1.301 25536 1610 1 4 . 1 1 45 45 GLU H H 45 8.245 8.245 8.456 -0.211 25536 1611 1 4 . 1 1 46 46 MET N N 46 115.322 115.322 117.858 -2.536 25536 1612 1 4 . 1 1 46 46 MET HA H 46 5.051 5.051 4.455 0.596 25536 1613 1 4 . 1 1 46 46 MET C C 46 174.637 174.637 174.475 0.162 25536 1614 1 4 . 1 1 46 46 MET CA C 46 54.264 54.264 54.510 -0.246 25536 1615 1 4 . 1 1 46 46 MET CB C 46 35.854 35.854 33.856 1.998 25536 1616 1 4 . 1 1 46 46 MET H H 46 6.872 6.872 7.113 -0.241 25536 1617 1 4 . 1 1 47 47 PHE N N 47 119.008 119.008 119.925 -0.917 25536 1618 1 4 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.073 0.021 25536 1619 1 4 . 1 1 47 47 PHE C C 47 175.742 175.742 175.042 0.700 25536 1620 1 4 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.457 1.881 25536 1621 1 4 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.509 5.403 25536 1622 1 4 . 1 1 47 47 PHE H H 47 8.623 8.623 9.042 -0.419 25536 1623 1 4 . 1 1 48 48 THR N N 48 110.544 110.544 113.620 -3.076 25536 1624 1 4 . 1 1 48 48 THR HA H 48 4.990 4.990 4.701 0.289 25536 1625 1 4 . 1 1 48 48 THR C C 48 176.666 176.666 176.097 0.569 25536 1626 1 4 . 1 1 48 48 THR CA C 48 61.095 61.095 60.951 0.144 25536 1627 1 4 . 1 1 48 48 THR CB C 48 71.136 71.136 70.609 0.527 25536 1628 1 4 . 1 1 48 48 THR H H 48 9.108 9.108 9.505 -0.397 25536 1629 1 4 . 1 1 49 49 VAL N N 49 121.588 121.588 123.024 -1.436 25536 1630 1 4 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.650 -0.269 25536 1631 1 4 . 1 1 49 49 VAL C C 49 177.726 177.726 177.093 0.633 25536 1632 1 4 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.178 1.062 25536 1633 1 4 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.712 -0.157 25536 1634 1 4 . 1 1 49 49 VAL H H 49 9.044 9.044 8.510 0.534 25536 1635 1 4 . 1 1 50 50 LYS N N 50 118.341 118.341 115.807 2.534 25536 1636 1 4 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.087 -0.128 25536 1637 1 4 . 1 1 50 50 LYS C C 50 180.060 180.060 178.225 1.835 25536 1638 1 4 . 1 1 50 50 LYS CA C 50 60.356 60.356 58.927 1.429 25536 1639 1 4 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.557 1.282 25536 1640 1 4 . 1 1 50 50 LYS H H 50 8.132 8.132 8.404 -0.272 25536 1641 1 4 . 1 1 51 51 GLU N N 51 119.521 119.521 120.622 -1.101 25536 1642 1 4 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.881 0.165 25536 1643 1 4 . 1 1 51 51 GLU C C 51 178.583 178.583 178.351 0.232 25536 1644 1 4 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.061 0.842 25536 1645 1 4 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.986 1.470 25536 1646 1 4 . 1 1 51 51 GLU H H 51 7.877 7.877 7.457 0.420 25536 1647 1 4 . 1 1 52 52 VAL N N 52 119.044 119.044 118.232 0.812 25536 1648 1 4 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.495 -0.245 25536 1649 1 4 . 1 1 52 52 VAL C C 52 177.546 177.546 177.919 -0.373 25536 1650 1 4 . 1 1 52 52 VAL CA C 52 67.901 67.901 66.039 1.862 25536 1651 1 4 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.506 -0.129 25536 1652 1 4 . 1 1 52 52 VAL H H 52 8.245 8.245 8.384 -0.139 25536 1653 1 4 . 1 1 53 53 MET N N 53 114.669 114.669 116.648 -1.979 25536 1654 1 4 . 1 1 53 53 MET HA H 53 4.198 4.198 4.099 0.099 25536 1655 1 4 . 1 1 53 53 MET C C 53 178.699 178.699 177.570 1.129 25536 1656 1 4 . 1 1 53 53 MET CA C 53 57.748 57.748 58.706 -0.958 25536 1657 1 4 . 1 1 53 53 MET CB C 53 32.680 32.680 32.045 0.635 25536 1658 1 4 . 1 1 53 53 MET H H 53 8.188 8.188 8.132 0.056 25536 1659 1 4 . 1 1 54 54 HIS N N 54 118.909 118.909 120.952 -2.043 25536 1660 1 4 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.140 -0.023 25536 1661 1 4 . 1 1 54 54 HIS C C 54 178.675 178.675 177.098 1.577 25536 1662 1 4 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.485 -0.213 25536 1663 1 4 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.756 0.841 25536 1664 1 4 . 1 1 54 54 HIS H H 54 8.091 8.091 7.489 0.602 25536 1665 1 4 . 1 1 55 55 TYR N N 55 116.769 116.769 116.617 0.152 25536 1666 1 4 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.390 -0.538 25536 1667 1 4 . 1 1 55 55 TYR C C 55 177.794 177.794 177.956 -0.162 25536 1668 1 4 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.743 2.974 25536 1669 1 4 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.109 2.020 25536 1670 1 4 . 1 1 55 55 TYR H H 55 8.468 8.468 7.387 1.081 25536 1671 1 4 . 1 1 56 56 LEU N N 56 120.819 120.819 120.349 0.470 25536 1672 1 4 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.952 -0.143 25536 1673 1 4 . 1 1 56 56 LEU C C 56 178.484 178.484 179.064 -0.580 25536 1674 1 4 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.400 1.222 25536 1675 1 4 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.174 1.407 25536 1676 1 4 . 1 1 56 56 LEU H H 56 8.455 8.455 7.468 0.987 25536 1677 1 4 . 1 1 57 57 GLY N N 57 104.896 104.896 107.197 -2.301 25536 1678 1 4 . 1 1 57 57 GLY C C 57 175.647 175.647 175.782 -0.135 25536 1679 1 4 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.323 -0.084 25536 1680 1 4 . 1 1 57 57 GLY H H 57 7.691 7.691 8.212 -0.521 25536 1681 1 4 . 1 1 58 58 GLN N N 58 119.080 119.080 121.812 -2.732 25536 1682 1 4 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.981 -0.169 25536 1683 1 4 . 1 1 58 58 GLN C C 58 177.429 177.429 177.722 -0.293 25536 1684 1 4 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.539 0.139 25536 1685 1 4 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.378 0.497 25536 1686 1 4 . 1 1 58 58 GLN H H 58 7.704 7.704 8.210 -0.506 25536 1687 1 4 . 1 1 59 59 TYR N N 59 120.995 120.995 122.310 -1.315 25536 1688 1 4 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.221 -0.417 25536 1689 1 4 . 1 1 59 59 TYR C C 59 176.215 176.215 177.493 -1.278 25536 1690 1 4 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.059 0.506 25536 1691 1 4 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.673 -0.054 25536 1692 1 4 . 1 1 59 59 TYR H H 59 8.500 8.500 8.001 0.499 25536 1693 1 4 . 1 1 60 60 ILE N N 60 116.532 116.532 119.579 -3.047 25536 1694 1 4 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.686 -0.383 25536 1695 1 4 . 1 1 60 60 ILE C C 60 177.952 177.952 178.249 -0.297 25536 1696 1 4 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.458 0.089 25536 1697 1 4 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.039 0.392 25536 1698 1 4 . 1 1 60 60 ILE H H 60 7.585 7.585 8.735 -1.150 25536 1699 1 4 . 1 1 61 61 MET N N 61 115.556 115.556 118.958 -3.402 25536 1700 1 4 . 1 1 61 61 MET HA H 61 4.547 4.547 4.365 0.182 25536 1701 1 4 . 1 1 61 61 MET C C 61 180.579 180.579 178.164 2.415 25536 1702 1 4 . 1 1 61 61 MET CA C 61 57.563 57.563 58.225 -0.662 25536 1703 1 4 . 1 1 61 61 MET CB C 61 31.473 31.473 32.650 -1.177 25536 1704 1 4 . 1 1 61 61 MET H H 61 7.707 7.707 8.156 -0.449 25536 1705 1 4 . 1 1 62 62 VAL N N 62 120.872 120.872 118.442 2.430 25536 1706 1 4 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.768 0.060 25536 1707 1 4 . 1 1 62 62 VAL C C 62 178.786 178.786 177.368 1.418 25536 1708 1 4 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.501 1.611 25536 1709 1 4 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.178 -0.187 25536 1710 1 4 . 1 1 62 62 VAL H H 62 9.009 9.009 8.314 0.695 25536 1711 1 4 . 1 1 63 63 LYS N N 63 116.652 116.652 118.018 -1.366 25536 1712 1 4 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.166 -0.109 25536 1713 1 4 . 1 1 63 63 LYS C C 63 174.784 174.784 175.759 -0.975 25536 1714 1 4 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.556 0.527 25536 1715 1 4 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.197 -0.736 25536 1716 1 4 . 1 1 63 63 LYS H H 63 7.812 7.812 8.176 -0.364 25536 1717 1 4 . 1 1 64 64 GLN N N 64 115.445 115.445 115.145 0.300 25536 1718 1 4 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.809 -0.203 25536 1719 1 4 . 1 1 64 64 GLN C C 64 175.550 175.550 174.960 0.590 25536 1720 1 4 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.293 0.686 25536 1721 1 4 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.284 0.964 25536 1722 1 4 . 1 1 64 64 GLN H H 64 7.642 7.642 8.042 -0.400 25536 1723 1 4 . 1 1 65 65 LEU N N 65 115.724 115.724 118.775 -3.051 25536 1724 1 4 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.455 0.002 25536 1725 1 4 . 1 1 65 65 LEU C C 65 175.979 175.979 175.701 0.278 25536 1726 1 4 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.113 0.541 25536 1727 1 4 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.853 0.097 25536 1728 1 4 . 1 1 65 65 LEU H H 65 8.097 8.097 7.473 0.624 25536 1729 1 4 . 1 1 66 66 TYR N N 66 112.953 112.953 114.674 -1.721 25536 1730 1 4 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.400 -0.108 25536 1731 1 4 . 1 1 66 66 TYR C C 66 173.941 173.941 174.820 -0.879 25536 1732 1 4 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.629 1.000 25536 1733 1 4 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.631 -0.883 25536 1734 1 4 . 1 1 66 66 TYR H H 66 6.856 6.856 6.751 0.105 25536 1735 1 4 . 1 1 67 67 ASP N N 67 122.196 122.196 121.212 0.984 25536 1736 1 4 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.729 -0.291 25536 1737 1 4 . 1 1 67 67 ASP C C 67 176.779 176.779 177.533 -0.754 25536 1738 1 4 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.997 -0.017 25536 1739 1 4 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.359 0.173 25536 1740 1 4 . 1 1 67 67 ASP H H 67 8.324 8.324 8.449 -0.125 25536 1741 1 4 . 1 1 68 68 GLN N N 68 123.042 123.042 123.845 -0.803 25536 1742 1 4 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.153 -0.267 25536 1743 1 4 . 1 1 68 68 GLN C C 68 177.122 177.122 177.472 -0.350 25536 1744 1 4 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.456 0.575 25536 1745 1 4 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.598 0.489 25536 1746 1 4 . 1 1 68 68 GLN H H 68 8.563 8.563 8.772 -0.209 25536 1747 1 4 . 1 1 69 69 GLN N N 69 115.263 115.263 116.646 -1.383 25536 1748 1 4 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.282 0.075 25536 1749 1 4 . 1 1 69 69 GLN C C 69 176.272 176.272 176.563 -0.291 25536 1750 1 4 . 1 1 69 69 GLN CA C 69 57.129 57.129 56.545 0.584 25536 1751 1 4 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.614 0.510 25536 1752 1 4 . 1 1 69 69 GLN H H 69 8.356 8.356 8.483 -0.127 25536 1753 1 4 . 1 1 70 70 GLU N N 70 122.549 122.549 119.986 2.563 25536 1754 1 4 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.596 -0.077 25536 1755 1 4 . 1 1 70 70 GLU C C 70 175.953 175.953 176.424 -0.471 25536 1756 1 4 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.606 -0.649 25536 1757 1 4 . 1 1 70 70 GLU CB C 70 29.560 29.560 30.288 -0.728 25536 1758 1 4 . 1 1 70 70 GLU H H 70 8.227 8.227 7.470 0.757 25536 1759 1 4 . 1 1 71 71 GLN N N 71 118.815 118.815 122.810 -3.995 25536 1760 1 4 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.240 0.312 25536 1761 1 4 . 1 1 71 71 GLN C C 71 174.842 174.842 176.018 -1.176 25536 1762 1 4 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.137 1.560 25536 1763 1 4 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.400 -0.470 25536 1764 1 4 . 1 1 71 71 GLN H H 71 8.253 8.253 9.041 -0.788 25536 1765 1 4 . 1 1 72 72 HIS N N 72 111.141 111.141 110.656 0.485 25536 1766 1 4 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.620 -0.447 25536 1767 1 4 . 1 1 72 72 HIS C C 72 173.749 173.749 174.445 -0.696 25536 1768 1 4 . 1 1 72 72 HIS CA C 72 56.259 56.259 54.270 1.989 25536 1769 1 4 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.408 1.664 25536 1770 1 4 . 1 1 72 72 HIS H H 72 7.412 7.412 8.149 -0.737 25536 1771 1 4 . 1 1 73 73 MET N N 73 119.350 119.350 120.493 -1.143 25536 1772 1 4 . 1 1 73 73 MET HA H 73 4.584 4.584 4.519 0.065 25536 1773 1 4 . 1 1 73 73 MET C C 73 174.311 174.311 174.584 -0.273 25536 1774 1 4 . 1 1 73 73 MET CA C 73 53.186 53.186 53.725 -0.539 25536 1775 1 4 . 1 1 73 73 MET CB C 73 31.731 31.731 32.310 -0.580 25536 1776 1 4 . 1 1 73 73 MET H H 73 7.766 7.766 7.829 -0.063 25536 1777 1 4 . 1 1 74 74 VAL N N 74 122.542 122.542 123.323 -0.781 25536 1778 1 4 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.433 -0.485 25536 1779 1 4 . 1 1 74 74 VAL C C 74 174.756 174.756 174.277 0.479 25536 1780 1 4 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.828 0.794 25536 1781 1 4 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.960 -0.146 25536 1782 1 4 . 1 1 74 74 VAL H H 74 8.456 8.456 8.359 0.097 25536 1783 1 4 . 1 1 75 75 TYR N N 75 125.680 125.680 125.443 0.237 25536 1784 1 4 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.177 -0.418 25536 1785 1 4 . 1 1 75 75 TYR C C 75 174.923 174.923 174.929 -0.006 25536 1786 1 4 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.178 0.634 25536 1787 1 4 . 1 1 75 75 TYR CB C 75 38.849 38.849 40.484 -1.635 25536 1788 1 4 . 1 1 75 75 TYR H H 75 8.213 8.213 8.999 -0.786 25536 1789 1 4 . 1 1 76 76 CYS N N 76 116.702 116.702 119.118 -2.416 25536 1790 1 4 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.996 -0.257 25536 1791 1 4 . 1 1 76 76 CYS C C 76 174.231 174.231 175.526 -1.295 25536 1792 1 4 . 1 1 76 76 CYS CA C 76 56.103 56.103 57.379 -1.276 25536 1793 1 4 . 1 1 76 76 CYS CB C 76 29.697 29.697 29.154 0.543 25536 1794 1 4 . 1 1 76 76 CYS H H 76 8.307 8.307 9.008 -0.701 25536 1795 1 4 . 1 1 77 77 GLY N N 77 111.569 111.569 109.520 2.049 25536 1796 1 4 . 1 1 77 77 GLY C C 77 174.662 174.662 175.157 -0.495 25536 1797 1 4 . 1 1 77 77 GLY CA C 77 47.149 47.149 47.061 0.088 25536 1798 1 4 . 1 1 77 77 GLY H H 77 8.484 8.484 8.340 0.144 25536 1799 1 4 . 1 1 78 78 GLY N N 78 113.022 113.022 115.002 -1.980 25536 1800 1 4 . 1 1 78 78 GLY C C 78 172.811 172.811 174.460 -1.649 25536 1801 1 4 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.696 1.064 25536 1802 1 4 . 1 1 78 78 GLY H H 78 8.889 8.889 8.619 0.270 25536 1803 1 4 . 1 1 79 79 ASP N N 79 119.431 119.431 120.658 -1.227 25536 1804 1 4 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.820 0.068 25536 1805 1 4 . 1 1 79 79 ASP C C 79 176.302 176.302 176.220 0.082 25536 1806 1 4 . 1 1 79 79 ASP CA C 79 53.093 53.093 54.067 -0.974 25536 1807 1 4 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.498 4.766 25536 1808 1 4 . 1 1 79 79 ASP H H 79 7.789 7.789 7.882 -0.093 25536 1809 1 4 . 1 1 80 80 LEU N N 80 128.421 128.421 123.195 5.226 25536 1810 1 4 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.131 -0.067 25536 1811 1 4 . 1 1 80 80 LEU C C 80 179.059 179.059 178.563 0.496 25536 1812 1 4 . 1 1 80 80 LEU CA C 80 58.803 58.803 58.403 0.400 25536 1813 1 4 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.397 0.006 25536 1814 1 4 . 1 1 80 80 LEU H H 80 8.549 8.549 9.036 -0.487 25536 1815 1 4 . 1 1 81 81 LEU N N 81 118.633 118.633 120.225 -1.592 25536 1816 1 4 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.812 0.055 25536 1817 1 4 . 1 1 81 81 LEU C C 81 178.542 178.542 178.222 0.320 25536 1818 1 4 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.088 0.683 25536 1819 1 4 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.233 1.416 25536 1820 1 4 . 1 1 81 81 LEU H H 81 9.973 9.973 7.493 2.480 25536 1821 1 4 . 1 1 82 82 GLY N N 82 105.564 105.564 105.522 0.042 25536 1822 1 4 . 1 1 82 82 GLY C C 82 176.907 176.907 175.735 1.172 25536 1823 1 4 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.106 0.957 25536 1824 1 4 . 1 1 82 82 GLY H H 82 7.559 7.559 8.442 -0.883 25536 1825 1 4 . 1 1 83 83 GLU N N 83 121.706 121.706 122.557 -0.851 25536 1826 1 4 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.101 -0.119 25536 1827 1 4 . 1 1 83 83 GLU C C 83 179.215 179.215 178.099 1.116 25536 1828 1 4 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.704 0.457 25536 1829 1 4 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.309 0.184 25536 1830 1 4 . 1 1 83 83 GLU H H 83 7.536 7.536 7.964 -0.428 25536 1831 1 4 . 1 1 84 84 LEU N N 84 118.455 118.455 119.781 -1.326 25536 1832 1 4 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.014 0.010 25536 1833 1 4 . 1 1 84 84 LEU C C 84 178.842 178.842 178.570 0.272 25536 1834 1 4 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.662 -0.187 25536 1835 1 4 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.265 0.222 25536 1836 1 4 . 1 1 84 84 LEU H H 84 7.701 7.701 8.030 -0.329 25536 1837 1 4 . 1 1 85 85 LEU N N 85 115.271 115.271 117.515 -2.244 25536 1838 1 4 . 1 1 85 85 LEU HA H 85 3.776 3.776 4.072 -0.296 25536 1839 1 4 . 1 1 85 85 LEU C C 85 177.773 177.773 177.915 -0.142 25536 1840 1 4 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.404 -0.029 25536 1841 1 4 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.947 0.947 25536 1842 1 4 . 1 1 85 85 LEU H H 85 8.117 8.117 8.010 0.107 25536 1843 1 4 . 1 1 86 86 GLY N N 86 107.216 107.216 104.514 2.702 25536 1844 1 4 . 1 1 86 86 GLY C C 86 174.090 174.090 173.895 0.195 25536 1845 1 4 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.429 0.886 25536 1846 1 4 . 1 1 86 86 GLY H H 86 7.983 7.983 8.365 -0.382 25536 1847 1 4 . 1 1 87 87 ARG N N 87 113.296 113.296 118.064 -4.768 25536 1848 1 4 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.699 -0.045 25536 1849 1 4 . 1 1 87 87 ARG C C 87 174.720 174.720 175.184 -0.464 25536 1850 1 4 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.710 0.569 25536 1851 1 4 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.540 2.855 25536 1852 1 4 . 1 1 87 87 ARG H H 87 7.411 7.411 7.576 -0.165 25536 1853 1 4 . 1 1 88 88 GLN N N 88 115.575 115.575 120.258 -4.683 25536 1854 1 4 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.335 -0.282 25536 1855 1 4 . 1 1 88 88 GLN C C 88 175.946 175.946 175.224 0.722 25536 1856 1 4 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.503 -0.091 25536 1857 1 4 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.200 0.591 25536 1858 1 4 . 1 1 88 88 GLN H H 88 8.653 8.653 8.792 -0.139 25536 1859 1 4 . 1 1 89 89 SER N N 89 110.451 110.451 113.570 -3.119 25536 1860 1 4 . 1 1 89 89 SER HA H 89 5.428 5.428 5.298 0.130 25536 1861 1 4 . 1 1 89 89 SER C C 89 173.062 173.062 173.118 -0.056 25536 1862 1 4 . 1 1 89 89 SER CA C 89 57.011 57.011 57.454 -0.443 25536 1863 1 4 . 1 1 89 89 SER CB C 89 66.560 66.560 65.878 0.682 25536 1864 1 4 . 1 1 89 89 SER H H 89 7.625 7.625 7.651 -0.026 25536 1865 1 4 . 1 1 90 90 PHE N N 90 115.159 115.159 114.362 0.797 25536 1866 1 4 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.888 -0.203 25536 1867 1 4 . 1 1 90 90 PHE C C 90 170.337 170.337 172.774 -2.437 25536 1868 1 4 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.066 0.132 25536 1869 1 4 . 1 1 90 90 PHE CB C 90 40.412 40.412 39.685 0.727 25536 1870 1 4 . 1 1 90 90 PHE H H 90 8.549 8.549 7.780 0.769 25536 1871 1 4 . 1 1 91 91 SER N N 91 113.637 113.637 114.253 -0.616 25536 1872 1 4 . 1 1 91 91 SER HA H 91 5.350 5.350 5.005 0.345 25536 1873 1 4 . 1 1 91 91 SER C C 91 178.100 178.100 175.998 2.102 25536 1874 1 4 . 1 1 91 91 SER CA C 91 54.748 54.748 56.304 -1.556 25536 1875 1 4 . 1 1 91 91 SER CB C 91 65.325 65.325 67.044 -1.719 25536 1876 1 4 . 1 1 91 91 SER H H 91 9.010 9.010 8.254 0.756 25536 1877 1 4 . 1 1 92 92 VAL N N 92 120.560 120.560 116.543 4.017 25536 1878 1 4 . 1 1 92 92 VAL HA H 92 3.908 3.908 4.064 -0.156 25536 1879 1 4 . 1 1 92 92 VAL C C 92 175.704 175.704 175.960 -0.256 25536 1880 1 4 . 1 1 92 92 VAL CA C 92 64.000 64.000 64.375 -0.375 25536 1881 1 4 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.375 -0.575 25536 1882 1 4 . 1 1 92 92 VAL H H 92 8.948 8.948 8.605 0.343 25536 1883 1 4 . 1 1 93 93 LYS N N 93 116.481 116.481 119.911 -3.430 25536 1884 1 4 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.214 -0.267 25536 1885 1 4 . 1 1 93 93 LYS C C 93 177.088 177.088 176.387 0.701 25536 1886 1 4 . 1 1 93 93 LYS CA C 93 57.699 57.699 57.598 0.101 25536 1887 1 4 . 1 1 93 93 LYS CB C 93 32.258 32.258 32.965 -0.707 25536 1888 1 4 . 1 1 93 93 LYS H H 93 8.086 8.086 7.631 0.455 25536 1889 1 4 . 1 1 94 94 ASP N N 94 114.885 114.885 119.193 -4.308 25536 1890 1 4 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.046 -0.104 25536 1891 1 4 . 1 1 94 94 ASP C C 94 173.021 173.021 175.011 -1.990 25536 1892 1 4 . 1 1 94 94 ASP CA C 94 51.589 51.589 50.927 0.662 25536 1893 1 4 . 1 1 94 94 ASP CB C 94 41.445 41.445 42.007 -0.562 25536 1894 1 4 . 1 1 94 94 ASP H H 94 7.399 7.399 7.613 -0.214 25536 1895 1 4 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.319 0.099 25536 1896 1 4 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.221 0.426 25536 1897 1 4 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.282 0.478 25536 1898 1 4 . 1 1 96 96 SER N N 96 118.790 118.790 116.662 2.128 25536 1899 1 4 . 1 1 96 96 SER HA H 96 4.219 4.219 4.148 0.071 25536 1900 1 4 . 1 1 96 96 SER C C 96 173.615 173.615 173.852 -0.237 25536 1901 1 4 . 1 1 96 96 SER CA C 96 64.525 64.525 63.800 0.726 25536 1902 1 4 . 1 1 96 96 SER CB C 96 61.994 61.994 61.041 0.953 25536 1903 1 4 . 1 1 96 96 SER H H 96 8.052 8.052 7.940 0.112 25536 1904 1 4 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.289 0.058 25536 1905 1 4 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.292 0.724 25536 1906 1 4 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.287 0.325 25536 1907 1 4 . 1 1 98 98 LEU N N 98 117.938 117.938 120.213 -2.275 25536 1908 1 4 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.795 -0.199 25536 1909 1 4 . 1 1 98 98 LEU C C 98 178.196 178.196 178.220 -0.024 25536 1910 1 4 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.904 -0.620 25536 1911 1 4 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.949 -0.540 25536 1912 1 4 . 1 1 98 98 LEU H H 98 7.076 7.076 7.299 -0.223 25536 1913 1 4 . 1 1 99 99 TYR N N 99 117.957 117.957 117.652 0.305 25536 1914 1 4 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.020 0.130 25536 1915 1 4 . 1 1 99 99 TYR C C 99 178.767 178.767 178.438 0.329 25536 1916 1 4 . 1 1 99 99 TYR CA C 99 61.223 61.223 58.792 2.431 25536 1917 1 4 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.008 0.030 25536 1918 1 4 . 1 1 99 99 TYR H H 99 7.547 7.547 8.238 -0.691 25536 1919 1 4 . 1 1 100 100 ASP N N 100 119.536 119.536 119.475 0.061 25536 1920 1 4 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.280 0.046 25536 1921 1 4 . 1 1 100 100 ASP C C 100 177.737 177.737 178.138 -0.401 25536 1922 1 4 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.463 0.412 25536 1923 1 4 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.801 0.340 25536 1924 1 4 . 1 1 100 100 ASP H H 100 8.292 8.292 8.528 -0.236 25536 1925 1 4 . 1 1 101 101 MET N N 101 118.757 118.757 117.441 1.316 25536 1926 1 4 . 1 1 101 101 MET HA H 101 3.964 3.964 4.320 -0.356 25536 1927 1 4 . 1 1 101 101 MET C C 101 180.006 180.006 178.077 1.929 25536 1928 1 4 . 1 1 101 101 MET CA C 101 59.710 59.710 57.799 1.911 25536 1929 1 4 . 1 1 101 101 MET CB C 101 31.642 31.642 32.040 -0.398 25536 1930 1 4 . 1 1 101 101 MET H H 101 7.226 7.226 7.546 -0.320 25536 1931 1 4 . 1 1 102 102 LEU N N 102 121.624 121.624 121.152 0.472 25536 1932 1 4 . 1 1 102 102 LEU HA H 102 3.696 3.696 3.923 -0.227 25536 1933 1 4 . 1 1 102 102 LEU C C 102 178.566 178.566 179.125 -0.559 25536 1934 1 4 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.608 1.319 25536 1935 1 4 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.063 0.422 25536 1936 1 4 . 1 1 102 102 LEU H H 102 8.472 8.472 7.921 0.551 25536 1937 1 4 . 1 1 103 103 ARG N N 103 117.111 117.111 118.819 -1.708 25536 1938 1 4 . 1 1 103 103 ARG HA H 103 3.970 3.970 3.954 0.016 25536 1939 1 4 . 1 1 103 103 ARG C C 103 178.818 178.818 178.439 0.379 25536 1940 1 4 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.529 -0.026 25536 1941 1 4 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.255 0.040 25536 1942 1 4 . 1 1 103 103 ARG H H 103 7.932 7.932 8.393 -0.461 25536 1943 1 4 . 1 1 104 104 LYS N N 104 114.172 114.172 114.855 -0.683 25536 1944 1 4 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.330 -0.108 25536 1945 1 4 . 1 1 104 104 LYS C C 104 177.556 177.556 177.613 -0.057 25536 1946 1 4 . 1 1 104 104 LYS CA C 104 57.960 57.960 57.382 0.578 25536 1947 1 4 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.000 2.227 25536 1948 1 4 . 1 1 104 104 LYS H H 104 7.157 7.157 7.637 -0.480 25536 1949 1 4 . 1 1 105 105 ASN N N 105 114.145 114.145 118.183 -4.038 25536 1950 1 4 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.709 0.022 25536 1951 1 4 . 1 1 105 105 ASN C C 105 172.822 172.822 175.157 -2.335 25536 1952 1 4 . 1 1 105 105 ASN CA C 105 54.843 54.843 55.286 -0.443 25536 1953 1 4 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.397 2.248 25536 1954 1 4 . 1 1 105 105 ASN H H 105 7.665 7.665 7.917 -0.252 25536 1955 1 4 . 1 1 106 106 LEU N N 106 118.600 118.600 115.051 3.549 25536 1956 1 4 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.823 -0.152 25536 1957 1 4 . 1 1 106 106 LEU C C 106 175.658 175.658 176.036 -0.378 25536 1958 1 4 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.265 -0.107 25536 1959 1 4 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.442 -0.877 25536 1960 1 4 . 1 1 106 106 LEU H H 106 7.439 7.439 7.939 -0.500 25536 1961 1 4 . 1 1 107 107 VAL N N 107 122.739 122.739 120.838 1.901 25536 1962 1 4 . 1 1 107 107 VAL HA H 107 4.208 4.208 3.937 0.271 25536 1963 1 4 . 1 1 107 107 VAL C C 107 176.054 176.054 177.120 -1.066 25536 1964 1 4 . 1 1 107 107 VAL CA C 107 62.216 62.216 63.582 -1.366 25536 1965 1 4 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.270 1.310 25536 1966 1 4 . 1 1 107 107 VAL H H 107 8.182 8.182 8.530 -0.348 25536 1967 1 4 . 1 1 108 108 THR N N 108 120.854 120.854 111.449 9.405 25536 1968 1 4 . 1 1 108 108 THR HA H 108 4.336 4.336 4.126 0.210 25536 1969 1 4 . 1 1 108 108 THR C C 108 174.216 174.216 175.037 -0.821 25536 1970 1 4 . 1 1 108 108 THR CA C 108 62.726 62.726 62.986 -0.260 25536 1971 1 4 . 1 1 108 108 THR CB C 108 70.080 70.080 69.323 0.757 25536 1972 1 4 . 1 1 108 108 THR H H 108 8.524 8.524 7.646 0.878 25536 1973 1 4 . 1 1 109 109 LEU N N 109 125.529 125.529 124.536 0.993 25536 1974 1 4 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.076 0.276 25536 1975 1 4 . 1 1 109 109 LEU C C 109 176.523 176.523 176.426 0.097 25536 1976 1 4 . 1 1 109 109 LEU CA C 109 55.047 55.047 56.840 -1.793 25536 1977 1 4 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.935 0.655 25536 1978 1 4 . 1 1 109 109 LEU H H 109 8.313 8.313 8.488 -0.175 25536 1979 1 4 . 1 1 110 110 ALA N N 110 125.099 125.099 119.428 5.671 25536 1980 1 4 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.005 0.361 25536 1981 1 4 . 1 1 110 110 ALA C C 110 176.847 176.847 176.846 0.001 25536 1982 1 4 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.966 -0.338 25536 1983 1 4 . 1 1 110 110 ALA CB C 110 19.706 19.706 18.098 1.608 25536 1984 1 4 . 1 1 110 110 ALA H H 110 8.257 8.257 7.696 0.561 25536 1985 1 5 . 1 1 24 24 ILE N N 24 120.668 120.668 121.287 -0.619 25536 1986 1 5 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.042 0.105 25536 1987 1 5 . 1 1 24 24 ILE C C 24 175.650 175.650 175.999 -0.349 25536 1988 1 5 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.833 -0.491 25536 1989 1 5 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.288 0.779 25536 1990 1 5 . 1 1 24 24 ILE H H 24 8.119 8.119 8.739 -0.620 25536 1991 1 5 . 1 1 25 25 ASN N N 25 122.032 122.032 115.995 6.037 25536 1992 1 5 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.371 0.333 25536 1993 1 5 . 1 1 25 25 ASN C C 25 174.775 174.775 173.901 0.874 25536 1994 1 5 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.703 0.028 25536 1995 1 5 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.552 1.854 25536 1996 1 5 . 1 1 25 25 ASN H H 25 8.446 8.446 8.627 -0.181 25536 1997 1 5 . 1 1 26 26 GLN N N 26 118.655 118.655 117.286 1.369 25536 1998 1 5 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.519 0.068 25536 1999 1 5 . 1 1 26 26 GLN C C 26 175.291 175.291 174.325 0.966 25536 2000 1 5 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.758 0.944 25536 2001 1 5 . 1 1 26 26 GLN CB C 26 32.258 32.258 31.716 0.542 25536 2002 1 5 . 1 1 26 26 GLN H H 26 8.215 8.215 7.830 0.385 25536 2003 1 5 . 1 1 27 27 VAL N N 27 113.749 113.749 117.494 -3.745 25536 2004 1 5 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.500 0.367 25536 2005 1 5 . 1 1 27 27 VAL C C 27 173.900 173.900 174.539 -0.639 25536 2006 1 5 . 1 1 27 27 VAL CA C 27 59.116 59.116 59.225 -0.109 25536 2007 1 5 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.711 1.393 25536 2008 1 5 . 1 1 27 27 VAL H H 27 9.417 9.417 8.477 0.940 25536 2009 1 5 . 1 1 28 28 ARG N N 28 121.515 121.515 120.950 0.565 25536 2010 1 5 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.303 0.154 25536 2011 1 5 . 1 1 28 28 ARG C C 28 175.090 175.090 174.911 0.179 25536 2012 1 5 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.410 -0.839 25536 2013 1 5 . 1 1 28 28 ARG CB C 28 33.674 33.674 30.194 3.480 25536 2014 1 5 . 1 1 28 28 ARG H H 28 8.901 8.901 8.234 0.667 25536 2015 1 5 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.432 0.563 25536 2016 1 5 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.338 -0.286 25536 2017 1 5 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.744 -0.483 25536 2018 1 5 . 1 1 30 30 LYS N N 30 121.291 121.291 119.611 1.680 25536 2019 1 5 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.249 -0.048 25536 2020 1 5 . 1 1 30 30 LYS C C 30 177.557 177.557 178.726 -1.169 25536 2021 1 5 . 1 1 30 30 LYS CA C 30 57.722 57.722 55.752 1.970 25536 2022 1 5 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.547 0.448 25536 2023 1 5 . 1 1 30 30 LYS H H 30 8.476 8.476 8.745 -0.269 25536 2024 1 5 . 1 1 31 31 LEU N N 31 121.578 121.578 125.580 -4.002 25536 2025 1 5 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.180 -0.125 25536 2026 1 5 . 1 1 31 31 LEU C C 31 174.261 174.261 176.154 -1.893 25536 2027 1 5 . 1 1 31 31 LEU CA C 31 60.196 60.196 60.242 -0.046 25536 2028 1 5 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.081 0.769 25536 2029 1 5 . 1 1 31 31 LEU H H 31 8.584 8.584 8.928 -0.345 25536 2030 1 5 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.201 -0.068 25536 2031 1 5 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.629 0.949 25536 2032 1 5 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.224 0.254 25536 2033 1 5 . 1 1 33 33 LEU N N 33 113.190 113.190 118.098 -4.908 25536 2034 1 5 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.201 -0.226 25536 2035 1 5 . 1 1 33 33 LEU C C 33 177.726 177.726 178.940 -1.214 25536 2036 1 5 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.835 -0.695 25536 2037 1 5 . 1 1 33 33 LEU CB C 33 41.847 41.847 42.370 -0.523 25536 2038 1 5 . 1 1 33 33 LEU H H 33 6.605 6.605 7.524 -0.919 25536 2039 1 5 . 1 1 34 34 LEU N N 34 121.683 121.683 120.966 0.717 25536 2040 1 5 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.853 -0.471 25536 2041 1 5 . 1 1 34 34 LEU C C 34 177.321 177.321 178.009 -0.688 25536 2042 1 5 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.645 0.592 25536 2043 1 5 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.482 0.429 25536 2044 1 5 . 1 1 34 34 LEU H H 34 8.399 8.399 8.468 -0.069 25536 2045 1 5 . 1 1 35 35 LYS N N 35 114.524 114.524 119.064 -4.540 25536 2046 1 5 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.023 -0.230 25536 2047 1 5 . 1 1 35 35 LYS C C 35 180.207 180.207 178.936 1.271 25536 2048 1 5 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.180 0.891 25536 2049 1 5 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.903 0.566 25536 2050 1 5 . 1 1 35 35 LYS H H 35 7.940 7.940 8.162 -0.222 25536 2051 1 5 . 1 1 36 36 ILE N N 36 119.857 119.857 119.830 0.027 25536 2052 1 5 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.701 -0.397 25536 2053 1 5 . 1 1 36 36 ILE C C 36 176.418 176.418 177.425 -1.007 25536 2054 1 5 . 1 1 36 36 ILE CA C 36 64.480 64.480 65.345 -0.865 25536 2055 1 5 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.682 -0.078 25536 2056 1 5 . 1 1 36 36 ILE H H 36 6.742 6.742 7.682 -0.940 25536 2057 1 5 . 1 1 37 37 LEU N N 37 116.695 116.695 119.601 -2.906 25536 2058 1 5 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.903 -0.381 25536 2059 1 5 . 1 1 37 37 LEU C C 37 180.263 180.263 179.415 0.848 25536 2060 1 5 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.444 -0.164 25536 2061 1 5 . 1 1 37 37 LEU CB C 37 39.138 39.138 41.095 -1.957 25536 2062 1 5 . 1 1 37 37 LEU H H 37 7.595 7.595 7.449 0.146 25536 2063 1 5 . 1 1 38 38 HIS N N 38 117.829 117.829 117.534 0.295 25536 2064 1 5 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.222 0.460 25536 2065 1 5 . 1 1 38 38 HIS C C 38 180.133 180.133 178.044 2.089 25536 2066 1 5 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.462 -1.171 25536 2067 1 5 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.134 1.277 25536 2068 1 5 . 1 1 38 38 HIS H H 38 8.955 8.955 8.550 0.405 25536 2069 1 5 . 1 1 39 39 ALA N N 39 124.006 124.006 122.040 1.966 25536 2070 1 5 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.213 0.033 25536 2071 1 5 . 1 1 39 39 ALA C C 39 178.835 178.835 178.581 0.254 25536 2072 1 5 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.525 0.560 25536 2073 1 5 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.385 -0.274 25536 2074 1 5 . 1 1 39 39 ALA H H 39 7.945 7.945 8.269 -0.324 25536 2075 1 5 . 1 1 40 40 ALA N N 40 118.201 118.201 119.297 -1.096 25536 2076 1 5 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.364 0.057 25536 2077 1 5 . 1 1 40 40 ALA C C 40 176.261 176.261 178.117 -1.856 25536 2078 1 5 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.568 -0.432 25536 2079 1 5 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.149 0.963 25536 2080 1 5 . 1 1 40 40 ALA H H 40 7.665 7.665 7.627 0.038 25536 2081 1 5 . 1 1 41 41 GLY N N 41 103.920 103.920 107.662 -3.742 25536 2082 1 5 . 1 1 41 41 GLY C C 41 174.412 174.412 174.253 0.159 25536 2083 1 5 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.734 0.233 25536 2084 1 5 . 1 1 41 41 GLY H H 41 7.683 7.683 7.734 -0.051 25536 2085 1 5 . 1 1 42 42 ALA N N 42 123.582 123.582 122.190 1.392 25536 2086 1 5 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.509 0.126 25536 2087 1 5 . 1 1 42 42 ALA C C 42 175.772 175.772 177.171 -1.399 25536 2088 1 5 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.820 0.860 25536 2089 1 5 . 1 1 42 42 ALA CB C 42 19.356 19.356 18.896 0.460 25536 2090 1 5 . 1 1 42 42 ALA H H 42 7.578 7.578 7.521 0.057 25536 2091 1 5 . 1 1 43 43 GLN N N 43 116.996 116.996 122.357 -5.361 25536 2092 1 5 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.473 -0.124 25536 2093 1 5 . 1 1 43 43 GLN C C 43 175.528 175.528 175.793 -0.265 25536 2094 1 5 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.589 -0.938 25536 2095 1 5 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.005 3.409 25536 2096 1 5 . 1 1 43 43 GLN H H 43 8.481 8.481 8.668 -0.187 25536 2097 1 5 . 1 1 44 44 GLY N N 44 108.128 108.128 107.874 0.254 25536 2098 1 5 . 1 1 44 44 GLY C C 44 173.892 173.892 172.709 1.183 25536 2099 1 5 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.592 -0.894 25536 2100 1 5 . 1 1 44 44 GLY H H 44 8.510 8.510 7.583 0.927 25536 2101 1 5 . 1 1 45 45 GLU N N 45 114.113 114.113 118.928 -4.815 25536 2102 1 5 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.423 0.185 25536 2103 1 5 . 1 1 45 45 GLU C C 45 174.007 174.007 174.729 -0.722 25536 2104 1 5 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.864 0.965 25536 2105 1 5 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.629 1.422 25536 2106 1 5 . 1 1 45 45 GLU H H 45 8.245 8.245 8.210 0.035 25536 2107 1 5 . 1 1 46 46 MET N N 46 115.322 115.322 118.165 -2.843 25536 2108 1 5 . 1 1 46 46 MET HA H 46 5.051 5.051 4.378 0.673 25536 2109 1 5 . 1 1 46 46 MET C C 46 174.637 174.637 174.488 0.149 25536 2110 1 5 . 1 1 46 46 MET CA C 46 54.264 54.264 54.413 -0.149 25536 2111 1 5 . 1 1 46 46 MET CB C 46 35.854 35.854 34.053 1.800 25536 2112 1 5 . 1 1 46 46 MET H H 46 6.872 6.872 7.089 -0.217 25536 2113 1 5 . 1 1 47 47 PHE N N 47 119.008 119.008 120.229 -1.221 25536 2114 1 5 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.018 0.076 25536 2115 1 5 . 1 1 47 47 PHE C C 47 175.742 175.742 173.768 1.974 25536 2116 1 5 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.645 1.693 25536 2117 1 5 . 1 1 47 47 PHE CB C 47 46.912 46.912 40.747 6.165 25536 2118 1 5 . 1 1 47 47 PHE H H 47 8.623 8.623 8.974 -0.351 25536 2119 1 5 . 1 1 48 48 THR N N 48 110.544 110.544 111.032 -0.488 25536 2120 1 5 . 1 1 48 48 THR HA H 48 4.990 4.990 4.473 0.517 25536 2121 1 5 . 1 1 48 48 THR C C 48 176.666 176.666 175.760 0.906 25536 2122 1 5 . 1 1 48 48 THR CA C 48 61.095 61.095 60.697 0.399 25536 2123 1 5 . 1 1 48 48 THR CB C 48 71.136 71.136 69.989 1.147 25536 2124 1 5 . 1 1 48 48 THR H H 48 9.108 9.108 8.296 0.812 25536 2125 1 5 . 1 1 49 49 VAL N N 49 121.588 121.588 122.757 -1.169 25536 2126 1 5 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.631 -0.249 25536 2127 1 5 . 1 1 49 49 VAL C C 49 177.726 177.726 177.611 0.115 25536 2128 1 5 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.035 1.206 25536 2129 1 5 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.215 0.341 25536 2130 1 5 . 1 1 49 49 VAL H H 49 9.044 9.044 8.560 0.484 25536 2131 1 5 . 1 1 50 50 LYS N N 50 118.341 118.341 116.421 1.920 25536 2132 1 5 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.044 -0.085 25536 2133 1 5 . 1 1 50 50 LYS C C 50 180.060 180.060 178.320 1.740 25536 2134 1 5 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.057 1.299 25536 2135 1 5 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.880 0.959 25536 2136 1 5 . 1 1 50 50 LYS H H 50 8.132 8.132 8.540 -0.408 25536 2137 1 5 . 1 1 51 51 GLU N N 51 119.521 119.521 120.068 -0.547 25536 2138 1 5 . 1 1 51 51 GLU HA H 51 4.046 4.046 4.047 -0.001 25536 2139 1 5 . 1 1 51 51 GLU C C 51 178.583 178.583 178.401 0.182 25536 2140 1 5 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.489 1.413 25536 2141 1 5 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.946 1.510 25536 2142 1 5 . 1 1 51 51 GLU H H 51 7.877 7.877 7.520 0.357 25536 2143 1 5 . 1 1 52 52 VAL N N 52 119.044 119.044 118.296 0.748 25536 2144 1 5 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.547 -0.297 25536 2145 1 5 . 1 1 52 52 VAL C C 52 177.546 177.546 178.100 -0.554 25536 2146 1 5 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.867 2.034 25536 2147 1 5 . 1 1 52 52 VAL CB C 52 31.377 31.377 30.826 0.551 25536 2148 1 5 . 1 1 52 52 VAL H H 52 8.245 8.245 8.515 -0.270 25536 2149 1 5 . 1 1 53 53 MET N N 53 114.669 114.669 116.290 -1.621 25536 2150 1 5 . 1 1 53 53 MET HA H 53 4.198 4.198 4.085 0.113 25536 2151 1 5 . 1 1 53 53 MET C C 53 178.699 178.699 177.226 1.473 25536 2152 1 5 . 1 1 53 53 MET CA C 53 57.748 57.748 58.467 -0.719 25536 2153 1 5 . 1 1 53 53 MET CB C 53 32.680 32.680 31.865 0.815 25536 2154 1 5 . 1 1 53 53 MET H H 53 8.188 8.188 8.056 0.132 25536 2155 1 5 . 1 1 54 54 HIS N N 54 118.909 118.909 120.881 -1.972 25536 2156 1 5 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.119 -0.002 25536 2157 1 5 . 1 1 54 54 HIS C C 54 178.675 178.675 177.005 1.670 25536 2158 1 5 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.501 -0.229 25536 2159 1 5 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.585 1.012 25536 2160 1 5 . 1 1 54 54 HIS H H 54 8.091 8.091 7.248 0.843 25536 2161 1 5 . 1 1 55 55 TYR N N 55 116.769 116.769 117.165 -0.396 25536 2162 1 5 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.179 -0.327 25536 2163 1 5 . 1 1 55 55 TYR C C 55 177.794 177.794 177.966 -0.172 25536 2164 1 5 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.686 3.031 25536 2165 1 5 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.087 2.042 25536 2166 1 5 . 1 1 55 55 TYR H H 55 8.468 8.468 7.360 1.108 25536 2167 1 5 . 1 1 56 56 LEU N N 56 120.819 120.819 120.408 0.411 25536 2168 1 5 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.867 -0.058 25536 2169 1 5 . 1 1 56 56 LEU C C 56 178.484 178.484 179.116 -0.632 25536 2170 1 5 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.534 1.088 25536 2171 1 5 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.125 1.456 25536 2172 1 5 . 1 1 56 56 LEU H H 56 8.455 8.455 7.173 1.282 25536 2173 1 5 . 1 1 57 57 GLY N N 57 104.896 104.896 106.914 -2.018 25536 2174 1 5 . 1 1 57 57 GLY C C 57 175.647 175.647 175.769 -0.122 25536 2175 1 5 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.285 -0.046 25536 2176 1 5 . 1 1 57 57 GLY H H 57 7.691 7.691 8.046 -0.355 25536 2177 1 5 . 1 1 58 58 GLN N N 58 119.080 119.080 121.845 -2.765 25536 2178 1 5 . 1 1 58 58 GLN HA H 58 3.812 3.812 4.008 -0.196 25536 2179 1 5 . 1 1 58 58 GLN C C 58 177.429 177.429 177.736 -0.307 25536 2180 1 5 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.480 0.198 25536 2181 1 5 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.417 0.458 25536 2182 1 5 . 1 1 58 58 GLN H H 58 7.704 7.704 8.061 -0.357 25536 2183 1 5 . 1 1 59 59 TYR N N 59 120.995 120.995 122.485 -1.490 25536 2184 1 5 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.217 -0.413 25536 2185 1 5 . 1 1 59 59 TYR C C 59 176.215 176.215 177.387 -1.172 25536 2186 1 5 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.092 0.473 25536 2187 1 5 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.676 -0.057 25536 2188 1 5 . 1 1 59 59 TYR H H 59 8.500 8.500 8.130 0.370 25536 2189 1 5 . 1 1 60 60 ILE N N 60 116.532 116.532 119.532 -3.000 25536 2190 1 5 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.646 -0.343 25536 2191 1 5 . 1 1 60 60 ILE C C 60 177.952 177.952 178.261 -0.309 25536 2192 1 5 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.819 -0.272 25536 2193 1 5 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.928 0.503 25536 2194 1 5 . 1 1 60 60 ILE H H 60 7.585 7.585 8.759 -1.174 25536 2195 1 5 . 1 1 61 61 MET N N 61 115.556 115.556 119.655 -4.099 25536 2196 1 5 . 1 1 61 61 MET HA H 61 4.547 4.547 4.396 0.151 25536 2197 1 5 . 1 1 61 61 MET C C 61 180.579 180.579 178.069 2.510 25536 2198 1 5 . 1 1 61 61 MET CA C 61 57.563 57.563 58.263 -0.700 25536 2199 1 5 . 1 1 61 61 MET CB C 61 31.473 31.473 32.624 -1.151 25536 2200 1 5 . 1 1 61 61 MET H H 61 7.707 7.707 8.101 -0.394 25536 2201 1 5 . 1 1 62 62 VAL N N 62 120.872 120.872 118.665 2.207 25536 2202 1 5 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.725 0.103 25536 2203 1 5 . 1 1 62 62 VAL C C 62 178.786 178.786 177.535 1.251 25536 2204 1 5 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.618 1.494 25536 2205 1 5 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.157 -0.166 25536 2206 1 5 . 1 1 62 62 VAL H H 62 9.009 9.009 8.421 0.588 25536 2207 1 5 . 1 1 63 63 LYS N N 63 116.652 116.652 117.750 -1.098 25536 2208 1 5 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.057 -0.000 25536 2209 1 5 . 1 1 63 63 LYS C C 63 174.784 174.784 175.801 -1.017 25536 2210 1 5 . 1 1 63 63 LYS CA C 63 56.083 56.083 56.325 -0.242 25536 2211 1 5 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.426 -0.965 25536 2212 1 5 . 1 1 63 63 LYS H H 63 7.812 7.812 8.200 -0.388 25536 2213 1 5 . 1 1 64 64 GLN N N 64 115.445 115.445 114.962 0.483 25536 2214 1 5 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.396 0.210 25536 2215 1 5 . 1 1 64 64 GLN C C 64 175.550 175.550 174.500 1.050 25536 2216 1 5 . 1 1 64 64 GLN CA C 64 56.979 56.979 55.787 1.192 25536 2217 1 5 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.487 0.761 25536 2218 1 5 . 1 1 64 64 GLN H H 64 7.642 7.642 7.871 -0.229 25536 2219 1 5 . 1 1 65 65 LEU N N 65 115.724 115.724 120.372 -4.648 25536 2220 1 5 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.372 0.085 25536 2221 1 5 . 1 1 65 65 LEU C C 65 175.979 175.979 175.013 0.966 25536 2222 1 5 . 1 1 65 65 LEU CA C 65 54.654 54.654 53.972 0.682 25536 2223 1 5 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.876 0.074 25536 2224 1 5 . 1 1 65 65 LEU H H 65 8.097 8.097 7.556 0.541 25536 2225 1 5 . 1 1 66 66 TYR N N 66 112.953 112.953 114.748 -1.795 25536 2226 1 5 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.151 0.141 25536 2227 1 5 . 1 1 66 66 TYR C C 66 173.941 173.941 174.496 -0.555 25536 2228 1 5 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.217 1.412 25536 2229 1 5 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.417 -0.669 25536 2230 1 5 . 1 1 66 66 TYR H H 66 6.856 6.856 6.581 0.275 25536 2231 1 5 . 1 1 67 67 ASP N N 67 122.196 122.196 121.032 1.164 25536 2232 1 5 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.782 -0.344 25536 2233 1 5 . 1 1 67 67 ASP C C 67 176.779 176.779 177.649 -0.870 25536 2234 1 5 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.606 0.374 25536 2235 1 5 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.684 -0.152 25536 2236 1 5 . 1 1 67 67 ASP H H 67 8.324 8.324 8.446 -0.122 25536 2237 1 5 . 1 1 68 68 GLN N N 68 123.042 123.042 123.042 0.000 25536 2238 1 5 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.179 -0.293 25536 2239 1 5 . 1 1 68 68 GLN C C 68 177.122 177.122 177.275 -0.153 25536 2240 1 5 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.664 0.367 25536 2241 1 5 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.773 0.314 25536 2242 1 5 . 1 1 68 68 GLN H H 68 8.563 8.563 8.741 -0.178 25536 2243 1 5 . 1 1 69 69 GLN N N 69 115.263 115.263 117.678 -2.415 25536 2244 1 5 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.244 0.113 25536 2245 1 5 . 1 1 69 69 GLN C C 69 176.272 176.272 176.013 0.259 25536 2246 1 5 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.069 0.060 25536 2247 1 5 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.808 0.316 25536 2248 1 5 . 1 1 69 69 GLN H H 69 8.356 8.356 7.987 0.369 25536 2249 1 5 . 1 1 70 70 GLU N N 70 122.549 122.549 117.978 4.571 25536 2250 1 5 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.402 0.117 25536 2251 1 5 . 1 1 70 70 GLU C C 70 175.953 175.953 175.788 0.165 25536 2252 1 5 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.429 -0.472 25536 2253 1 5 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.637 -0.077 25536 2254 1 5 . 1 1 70 70 GLU H H 70 8.227 8.227 8.141 0.086 25536 2255 1 5 . 1 1 71 71 GLN N N 71 118.815 118.815 122.062 -3.247 25536 2256 1 5 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.645 0.907 25536 2257 1 5 . 1 1 71 71 GLN C C 71 174.842 174.842 176.416 -1.574 25536 2258 1 5 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.231 1.466 25536 2259 1 5 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.342 -0.412 25536 2260 1 5 . 1 1 71 71 GLN H H 71 8.253 8.253 8.689 -0.436 25536 2261 1 5 . 1 1 72 72 HIS N N 72 111.141 111.141 111.301 -0.160 25536 2262 1 5 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.452 -0.279 25536 2263 1 5 . 1 1 72 72 HIS C C 72 173.749 173.749 174.829 -1.080 25536 2264 1 5 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.404 0.855 25536 2265 1 5 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.509 1.563 25536 2266 1 5 . 1 1 72 72 HIS H H 72 7.412 7.412 7.465 -0.053 25536 2267 1 5 . 1 1 73 73 MET N N 73 119.350 119.350 121.770 -2.420 25536 2268 1 5 . 1 1 73 73 MET HA H 73 4.584 4.584 4.412 0.172 25536 2269 1 5 . 1 1 73 73 MET C C 73 174.311 174.311 174.020 0.291 25536 2270 1 5 . 1 1 73 73 MET CA C 73 53.186 53.186 54.088 -0.902 25536 2271 1 5 . 1 1 73 73 MET CB C 73 31.731 31.731 32.961 -1.230 25536 2272 1 5 . 1 1 73 73 MET H H 73 7.766 7.766 7.248 0.518 25536 2273 1 5 . 1 1 74 74 VAL N N 74 122.542 122.542 127.507 -4.965 25536 2274 1 5 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.219 -0.271 25536 2275 1 5 . 1 1 74 74 VAL C C 74 174.756 174.756 174.152 0.604 25536 2276 1 5 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.293 0.329 25536 2277 1 5 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.444 0.369 25536 2278 1 5 . 1 1 74 74 VAL H H 74 8.456 8.456 8.710 -0.254 25536 2279 1 5 . 1 1 75 75 TYR N N 75 125.680 125.680 126.329 -0.649 25536 2280 1 5 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.143 -0.384 25536 2281 1 5 . 1 1 75 75 TYR C C 75 174.923 174.923 175.104 -0.181 25536 2282 1 5 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.083 0.729 25536 2283 1 5 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.751 0.098 25536 2284 1 5 . 1 1 75 75 TYR H H 75 8.213 8.213 8.844 -0.631 25536 2285 1 5 . 1 1 76 76 CYS N N 76 116.702 116.702 120.361 -3.659 25536 2286 1 5 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.615 0.124 25536 2287 1 5 . 1 1 76 76 CYS C C 76 174.231 174.231 175.116 -0.885 25536 2288 1 5 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.404 -2.301 25536 2289 1 5 . 1 1 76 76 CYS CB C 76 29.697 29.697 28.310 1.387 25536 2290 1 5 . 1 1 76 76 CYS H H 76 8.307 8.307 8.665 -0.358 25536 2291 1 5 . 1 1 77 77 GLY N N 77 111.569 111.569 109.253 2.316 25536 2292 1 5 . 1 1 77 77 GLY C C 77 174.662 174.662 175.215 -0.553 25536 2293 1 5 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.801 0.348 25536 2294 1 5 . 1 1 77 77 GLY H H 77 8.484 8.484 7.631 0.853 25536 2295 1 5 . 1 1 78 78 GLY N N 78 113.022 113.022 112.920 0.102 25536 2296 1 5 . 1 1 78 78 GLY C C 78 172.811 172.811 174.084 -1.273 25536 2297 1 5 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.896 0.864 25536 2298 1 5 . 1 1 78 78 GLY H H 78 8.889 8.889 8.362 0.527 25536 2299 1 5 . 1 1 79 79 ASP N N 79 119.431 119.431 120.505 -1.074 25536 2300 1 5 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.998 -0.110 25536 2301 1 5 . 1 1 79 79 ASP C C 79 176.302 176.302 175.528 0.774 25536 2302 1 5 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.360 -0.267 25536 2303 1 5 . 1 1 79 79 ASP CB C 79 47.264 47.264 44.201 3.063 25536 2304 1 5 . 1 1 79 79 ASP H H 79 7.789 7.789 7.939 -0.150 25536 2305 1 5 . 1 1 80 80 LEU N N 80 128.421 128.421 124.608 3.813 25536 2306 1 5 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.191 -0.127 25536 2307 1 5 . 1 1 80 80 LEU C C 80 179.059 179.059 178.559 0.500 25536 2308 1 5 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.640 1.163 25536 2309 1 5 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.352 0.051 25536 2310 1 5 . 1 1 80 80 LEU H H 80 8.549 8.549 9.006 -0.457 25536 2311 1 5 . 1 1 81 81 LEU N N 81 118.633 118.633 119.700 -1.067 25536 2312 1 5 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.945 -0.078 25536 2313 1 5 . 1 1 81 81 LEU C C 81 178.542 178.542 178.433 0.109 25536 2314 1 5 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.028 0.743 25536 2315 1 5 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.245 1.404 25536 2316 1 5 . 1 1 81 81 LEU H H 81 9.973 9.973 8.015 1.958 25536 2317 1 5 . 1 1 82 82 GLY N N 82 105.564 105.564 105.645 -0.081 25536 2318 1 5 . 1 1 82 82 GLY C C 82 176.907 176.907 175.623 1.284 25536 2319 1 5 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.001 1.062 25536 2320 1 5 . 1 1 82 82 GLY H H 82 7.559 7.559 7.635 -0.076 25536 2321 1 5 . 1 1 83 83 GLU N N 83 121.706 121.706 122.442 -0.736 25536 2322 1 5 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.122 -0.140 25536 2323 1 5 . 1 1 83 83 GLU C C 83 179.215 179.215 178.708 0.507 25536 2324 1 5 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.970 0.191 25536 2325 1 5 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.658 -0.165 25536 2326 1 5 . 1 1 83 83 GLU H H 83 7.536 7.536 8.122 -0.586 25536 2327 1 5 . 1 1 84 84 LEU N N 84 118.455 118.455 121.457 -3.002 25536 2328 1 5 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.054 -0.030 25536 2329 1 5 . 1 1 84 84 LEU C C 84 178.842 178.842 178.905 -0.063 25536 2330 1 5 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.330 0.145 25536 2331 1 5 . 1 1 84 84 LEU CB C 84 42.487 42.487 41.536 0.951 25536 2332 1 5 . 1 1 84 84 LEU H H 84 7.701 7.701 8.248 -0.547 25536 2333 1 5 . 1 1 85 85 LEU N N 85 115.271 115.271 116.376 -1.105 25536 2334 1 5 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.997 -0.221 25536 2335 1 5 . 1 1 85 85 LEU C C 85 177.773 177.773 177.775 -0.002 25536 2336 1 5 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.450 -0.075 25536 2337 1 5 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.321 1.572 25536 2338 1 5 . 1 1 85 85 LEU H H 85 8.117 8.117 8.084 0.033 25536 2339 1 5 . 1 1 86 86 GLY N N 86 107.216 107.216 104.959 2.257 25536 2340 1 5 . 1 1 86 86 GLY C C 86 174.090 174.090 173.833 0.257 25536 2341 1 5 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.151 1.164 25536 2342 1 5 . 1 1 86 86 GLY H H 86 7.983 7.983 7.842 0.141 25536 2343 1 5 . 1 1 87 87 ARG N N 87 113.296 113.296 118.027 -4.731 25536 2344 1 5 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.732 -0.078 25536 2345 1 5 . 1 1 87 87 ARG C C 87 174.720 174.720 174.844 -0.124 25536 2346 1 5 . 1 1 87 87 ARG CA C 87 54.279 54.279 55.116 -0.837 25536 2347 1 5 . 1 1 87 87 ARG CB C 87 34.395 34.395 33.273 1.122 25536 2348 1 5 . 1 1 87 87 ARG H H 87 7.411 7.411 7.852 -0.441 25536 2349 1 5 . 1 1 88 88 GLN N N 88 115.575 115.575 121.136 -5.561 25536 2350 1 5 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.347 -0.294 25536 2351 1 5 . 1 1 88 88 GLN C C 88 175.946 175.946 174.623 1.323 25536 2352 1 5 . 1 1 88 88 GLN CA C 88 57.412 57.412 56.954 0.458 25536 2353 1 5 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.314 0.476 25536 2354 1 5 . 1 1 88 88 GLN H H 88 8.653 8.653 8.727 -0.074 25536 2355 1 5 . 1 1 89 89 SER N N 89 110.451 110.451 112.442 -1.991 25536 2356 1 5 . 1 1 89 89 SER HA H 89 5.428 5.428 5.044 0.384 25536 2357 1 5 . 1 1 89 89 SER C C 89 173.062 173.062 172.632 0.430 25536 2358 1 5 . 1 1 89 89 SER CA C 89 57.011 57.011 56.915 0.096 25536 2359 1 5 . 1 1 89 89 SER CB C 89 66.560 66.560 66.168 0.392 25536 2360 1 5 . 1 1 89 89 SER H H 89 7.625 7.625 7.425 0.200 25536 2361 1 5 . 1 1 90 90 PHE N N 90 115.159 115.159 115.965 -0.806 25536 2362 1 5 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.926 -0.241 25536 2363 1 5 . 1 1 90 90 PHE C C 90 170.337 170.337 172.521 -2.184 25536 2364 1 5 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.278 -0.080 25536 2365 1 5 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.494 -0.082 25536 2366 1 5 . 1 1 90 90 PHE H H 90 8.549 8.549 8.000 0.549 25536 2367 1 5 . 1 1 91 91 SER N N 91 113.637 113.637 114.319 -0.682 25536 2368 1 5 . 1 1 91 91 SER HA H 91 5.350 5.350 5.298 0.052 25536 2369 1 5 . 1 1 91 91 SER C C 91 178.100 178.100 176.306 1.794 25536 2370 1 5 . 1 1 91 91 SER CA C 91 54.748 54.748 54.712 0.036 25536 2371 1 5 . 1 1 91 91 SER CB C 91 65.325 65.325 65.983 -0.658 25536 2372 1 5 . 1 1 91 91 SER H H 91 9.010 9.010 8.093 0.917 25536 2373 1 5 . 1 1 92 92 VAL N N 92 120.560 120.560 122.331 -1.771 25536 2374 1 5 . 1 1 92 92 VAL HA H 92 3.908 3.908 4.021 -0.113 25536 2375 1 5 . 1 1 92 92 VAL C C 92 175.704 175.704 176.275 -0.571 25536 2376 1 5 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.084 -1.084 25536 2377 1 5 . 1 1 92 92 VAL CB C 92 30.800 30.800 32.145 -1.345 25536 2378 1 5 . 1 1 92 92 VAL H H 92 8.948 8.948 8.767 0.181 25536 2379 1 5 . 1 1 93 93 LYS N N 93 116.481 116.481 118.816 -2.335 25536 2380 1 5 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.335 -0.388 25536 2381 1 5 . 1 1 93 93 LYS C C 93 177.088 177.088 176.031 1.057 25536 2382 1 5 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.813 0.886 25536 2383 1 5 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.241 -0.983 25536 2384 1 5 . 1 1 93 93 LYS H H 93 8.086 8.086 7.835 0.251 25536 2385 1 5 . 1 1 94 94 ASP N N 94 114.885 114.885 118.963 -4.078 25536 2386 1 5 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.065 -0.123 25536 2387 1 5 . 1 1 94 94 ASP C C 94 173.021 173.021 174.932 -1.911 25536 2388 1 5 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.791 -0.202 25536 2389 1 5 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.758 -0.313 25536 2390 1 5 . 1 1 94 94 ASP H H 94 7.399 7.399 7.806 -0.407 25536 2391 1 5 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.922 -0.504 25536 2392 1 5 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.417 0.230 25536 2393 1 5 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.971 -0.211 25536 2394 1 5 . 1 1 96 96 SER N N 96 118.790 118.790 117.468 1.322 25536 2395 1 5 . 1 1 96 96 SER HA H 96 4.219 4.219 4.162 0.057 25536 2396 1 5 . 1 1 96 96 SER C C 96 173.615 173.615 174.030 -0.415 25536 2397 1 5 . 1 1 96 96 SER CA C 96 64.525 64.525 63.870 0.655 25536 2398 1 5 . 1 1 96 96 SER CB C 96 61.994 61.994 61.059 0.935 25536 2399 1 5 . 1 1 96 96 SER H H 96 8.052 8.052 8.787 -0.735 25536 2400 1 5 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.395 -0.048 25536 2401 1 5 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.170 0.846 25536 2402 1 5 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.420 0.192 25536 2403 1 5 . 1 1 98 98 LEU N N 98 117.938 117.938 119.101 -1.163 25536 2404 1 5 . 1 1 98 98 LEU HA H 98 3.596 3.596 4.004 -0.408 25536 2405 1 5 . 1 1 98 98 LEU C C 98 178.196 178.196 178.204 -0.008 25536 2406 1 5 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.642 -0.359 25536 2407 1 5 . 1 1 98 98 LEU CB C 98 41.409 41.409 40.630 0.779 25536 2408 1 5 . 1 1 98 98 LEU H H 98 7.076 7.076 7.929 -0.853 25536 2409 1 5 . 1 1 99 99 TYR N N 99 117.957 117.957 118.302 -0.345 25536 2410 1 5 . 1 1 99 99 TYR HA H 99 4.150 4.150 3.994 0.156 25536 2411 1 5 . 1 1 99 99 TYR C C 99 178.767 178.767 178.114 0.653 25536 2412 1 5 . 1 1 99 99 TYR CA C 99 61.223 61.223 62.400 -1.177 25536 2413 1 5 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.576 -0.538 25536 2414 1 5 . 1 1 99 99 TYR H H 99 7.547 7.547 7.672 -0.125 25536 2415 1 5 . 1 1 100 100 ASP N N 100 119.536 119.536 120.100 -0.564 25536 2416 1 5 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.354 -0.028 25536 2417 1 5 . 1 1 100 100 ASP C C 100 177.737 177.737 178.086 -0.349 25536 2418 1 5 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.448 0.427 25536 2419 1 5 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.962 0.179 25536 2420 1 5 . 1 1 100 100 ASP H H 100 8.292 8.292 7.788 0.504 25536 2421 1 5 . 1 1 101 101 MET N N 101 118.757 118.757 118.125 0.632 25536 2422 1 5 . 1 1 101 101 MET HA H 101 3.964 3.964 4.129 -0.165 25536 2423 1 5 . 1 1 101 101 MET C C 101 180.006 180.006 177.315 2.691 25536 2424 1 5 . 1 1 101 101 MET CA C 101 59.710 59.710 58.807 0.903 25536 2425 1 5 . 1 1 101 101 MET CB C 101 31.642 31.642 32.546 -0.904 25536 2426 1 5 . 1 1 101 101 MET H H 101 7.226 7.226 7.683 -0.457 25536 2427 1 5 . 1 1 102 102 LEU N N 102 121.624 121.624 119.236 2.388 25536 2428 1 5 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.070 -0.374 25536 2429 1 5 . 1 1 102 102 LEU C C 102 178.566 178.566 179.082 -0.516 25536 2430 1 5 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.062 1.865 25536 2431 1 5 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.483 0.002 25536 2432 1 5 . 1 1 102 102 LEU H H 102 8.472 8.472 7.765 0.707 25536 2433 1 5 . 1 1 103 103 ARG N N 103 117.111 117.111 119.358 -2.247 25536 2434 1 5 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.084 -0.114 25536 2435 1 5 . 1 1 103 103 ARG C C 103 178.818 178.818 178.366 0.452 25536 2436 1 5 . 1 1 103 103 ARG CA C 103 59.503 59.503 57.891 1.612 25536 2437 1 5 . 1 1 103 103 ARG CB C 103 30.295 30.295 29.592 0.703 25536 2438 1 5 . 1 1 103 103 ARG H H 103 7.932 7.932 8.437 -0.505 25536 2439 1 5 . 1 1 104 104 LYS N N 104 114.172 114.172 115.103 -0.931 25536 2440 1 5 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.354 -0.132 25536 2441 1 5 . 1 1 104 104 LYS C C 104 177.556 177.556 177.812 -0.256 25536 2442 1 5 . 1 1 104 104 LYS CA C 104 57.960 57.960 57.020 0.940 25536 2443 1 5 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.019 2.208 25536 2444 1 5 . 1 1 104 104 LYS H H 104 7.157 7.157 7.581 -0.424 25536 2445 1 5 . 1 1 105 105 ASN N N 105 114.145 114.145 118.078 -3.933 25536 2446 1 5 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.691 0.041 25536 2447 1 5 . 1 1 105 105 ASN C C 105 172.822 172.822 175.293 -2.471 25536 2448 1 5 . 1 1 105 105 ASN CA C 105 54.843 54.843 55.312 -0.469 25536 2449 1 5 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.301 2.344 25536 2450 1 5 . 1 1 105 105 ASN H H 105 7.665 7.665 7.891 -0.226 25536 2451 1 5 . 1 1 106 106 LEU N N 106 118.600 118.600 115.662 2.938 25536 2452 1 5 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.831 -0.160 25536 2453 1 5 . 1 1 106 106 LEU C C 106 175.658 175.658 175.654 0.004 25536 2454 1 5 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.381 -0.223 25536 2455 1 5 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.656 -1.091 25536 2456 1 5 . 1 1 106 106 LEU H H 106 7.439 7.439 8.218 -0.779 25536 2457 1 5 . 1 1 107 107 VAL N N 107 122.739 122.739 120.910 1.829 25536 2458 1 5 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.084 0.124 25536 2459 1 5 . 1 1 107 107 VAL C C 107 176.054 176.054 177.068 -1.014 25536 2460 1 5 . 1 1 107 107 VAL CA C 107 62.216 62.216 62.089 0.127 25536 2461 1 5 . 1 1 107 107 VAL CB C 107 33.580 33.580 31.827 1.753 25536 2462 1 5 . 1 1 107 107 VAL H H 107 8.182 8.182 8.627 -0.445 25536 2463 1 5 . 1 1 108 108 THR N N 108 120.854 120.854 113.406 7.448 25536 2464 1 5 . 1 1 108 108 THR HA H 108 4.336 4.336 3.978 0.358 25536 2465 1 5 . 1 1 108 108 THR C C 108 174.216 174.216 175.109 -0.893 25536 2466 1 5 . 1 1 108 108 THR CA C 108 62.726 62.726 63.880 -1.154 25536 2467 1 5 . 1 1 108 108 THR CB C 108 70.080 70.080 69.046 1.034 25536 2468 1 5 . 1 1 108 108 THR H H 108 8.524 8.524 7.658 0.866 25536 2469 1 5 . 1 1 109 109 LEU N N 109 125.529 125.529 121.996 3.533 25536 2470 1 5 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.305 0.047 25536 2471 1 5 . 1 1 109 109 LEU C C 109 176.523 176.523 175.773 0.750 25536 2472 1 5 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.428 -0.381 25536 2473 1 5 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.238 0.352 25536 2474 1 5 . 1 1 109 109 LEU H H 109 8.313 8.313 8.424 -0.111 25536 2475 1 5 . 1 1 110 110 ALA N N 110 125.099 125.099 122.483 2.616 25536 2476 1 5 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.235 0.131 25536 2477 1 5 . 1 1 110 110 ALA C C 110 176.847 176.847 176.404 0.443 25536 2478 1 5 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.908 -0.280 25536 2479 1 5 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.549 0.157 25536 2480 1 5 . 1 1 110 110 ALA H H 110 8.257 8.257 7.440 0.817 25536 2481 1 6 . 1 1 24 24 ILE N N 24 120.668 120.668 120.874 -0.206 25536 2482 1 6 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.329 -0.182 25536 2483 1 6 . 1 1 24 24 ILE C C 24 175.650 175.650 174.978 0.672 25536 2484 1 6 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.110 0.232 25536 2485 1 6 . 1 1 24 24 ILE CB C 24 39.067 39.067 39.133 -0.066 25536 2486 1 6 . 1 1 24 24 ILE H H 24 8.119 8.119 8.360 -0.241 25536 2487 1 6 . 1 1 25 25 ASN N N 25 122.032 122.032 123.386 -1.354 25536 2488 1 6 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.826 -0.122 25536 2489 1 6 . 1 1 25 25 ASN C C 25 174.775 174.775 174.000 0.775 25536 2490 1 6 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.878 0.852 25536 2491 1 6 . 1 1 25 25 ASN CB C 25 39.406 39.406 38.745 0.660 25536 2492 1 6 . 1 1 25 25 ASN H H 25 8.446 8.446 8.670 -0.224 25536 2493 1 6 . 1 1 26 26 GLN N N 26 118.655 118.655 118.176 0.479 25536 2494 1 6 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.529 0.058 25536 2495 1 6 . 1 1 26 26 GLN C C 26 175.291 175.291 174.817 0.474 25536 2496 1 6 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.172 1.530 25536 2497 1 6 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.147 0.111 25536 2498 1 6 . 1 1 26 26 GLN H H 26 8.215 8.215 7.639 0.576 25536 2499 1 6 . 1 1 27 27 VAL N N 27 113.749 113.749 115.713 -1.964 25536 2500 1 6 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.454 0.413 25536 2501 1 6 . 1 1 27 27 VAL C C 27 173.900 173.900 174.637 -0.737 25536 2502 1 6 . 1 1 27 27 VAL CA C 27 59.116 59.116 59.644 -0.528 25536 2503 1 6 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.314 1.790 25536 2504 1 6 . 1 1 27 27 VAL H H 27 9.417 9.417 8.327 1.090 25536 2505 1 6 . 1 1 28 28 ARG N N 28 121.515 121.515 123.132 -1.617 25536 2506 1 6 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.237 0.220 25536 2507 1 6 . 1 1 28 28 ARG C C 28 175.090 175.090 175.077 0.013 25536 2508 1 6 . 1 1 28 28 ARG CA C 28 52.571 52.571 52.664 -0.093 25536 2509 1 6 . 1 1 28 28 ARG CB C 28 33.674 33.674 32.091 1.583 25536 2510 1 6 . 1 1 28 28 ARG H H 28 8.901 8.901 8.376 0.525 25536 2511 1 6 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.491 0.504 25536 2512 1 6 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.440 -0.388 25536 2513 1 6 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.837 -0.576 25536 2514 1 6 . 1 1 30 30 LYS N N 30 121.291 121.291 119.609 1.682 25536 2515 1 6 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.325 -0.124 25536 2516 1 6 . 1 1 30 30 LYS C C 30 177.557 177.557 178.227 -0.670 25536 2517 1 6 . 1 1 30 30 LYS CA C 30 57.722 57.722 55.132 2.590 25536 2518 1 6 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.898 0.097 25536 2519 1 6 . 1 1 30 30 LYS H H 30 8.476 8.476 8.799 -0.323 25536 2520 1 6 . 1 1 31 31 LEU N N 31 121.578 121.578 125.044 -3.466 25536 2521 1 6 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.154 -0.099 25536 2522 1 6 . 1 1 31 31 LEU C C 31 174.261 174.261 176.185 -1.924 25536 2523 1 6 . 1 1 31 31 LEU CA C 31 60.196 60.196 60.292 -0.096 25536 2524 1 6 . 1 1 31 31 LEU CB C 31 39.850 39.850 38.985 0.865 25536 2525 1 6 . 1 1 31 31 LEU H H 31 8.584 8.584 8.930 -0.346 25536 2526 1 6 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.232 -0.099 25536 2527 1 6 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.609 0.969 25536 2528 1 6 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.210 0.267 25536 2529 1 6 . 1 1 33 33 LEU N N 33 113.190 113.190 118.970 -5.780 25536 2530 1 6 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.132 -0.157 25536 2531 1 6 . 1 1 33 33 LEU C C 33 177.726 177.726 178.430 -0.704 25536 2532 1 6 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.978 -0.838 25536 2533 1 6 . 1 1 33 33 LEU CB C 33 41.847 41.847 42.148 -0.300 25536 2534 1 6 . 1 1 33 33 LEU H H 33 6.605 6.605 7.545 -0.940 25536 2535 1 6 . 1 1 34 34 LEU N N 34 121.683 121.683 120.592 1.091 25536 2536 1 6 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.839 -0.457 25536 2537 1 6 . 1 1 34 34 LEU C C 34 177.321 177.321 178.145 -0.824 25536 2538 1 6 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.729 0.508 25536 2539 1 6 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.469 0.442 25536 2540 1 6 . 1 1 34 34 LEU H H 34 8.399 8.399 8.447 -0.048 25536 2541 1 6 . 1 1 35 35 LYS N N 35 114.524 114.524 118.971 -4.447 25536 2542 1 6 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.995 -0.202 25536 2543 1 6 . 1 1 35 35 LYS C C 35 180.207 180.207 178.715 1.492 25536 2544 1 6 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.273 0.798 25536 2545 1 6 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.818 0.651 25536 2546 1 6 . 1 1 35 35 LYS H H 35 7.940 7.940 8.226 -0.286 25536 2547 1 6 . 1 1 36 36 ILE N N 36 119.857 119.857 119.863 -0.006 25536 2548 1 6 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.512 -0.208 25536 2549 1 6 . 1 1 36 36 ILE C C 36 176.418 176.418 177.765 -1.347 25536 2550 1 6 . 1 1 36 36 ILE CA C 36 64.480 64.480 63.490 0.990 25536 2551 1 6 . 1 1 36 36 ILE CB C 36 37.604 37.604 36.562 1.042 25536 2552 1 6 . 1 1 36 36 ILE H H 36 6.742 6.742 7.547 -0.805 25536 2553 1 6 . 1 1 37 37 LEU N N 37 116.695 116.695 119.887 -3.192 25536 2554 1 6 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.897 -0.375 25536 2555 1 6 . 1 1 37 37 LEU C C 37 180.263 180.263 179.591 0.672 25536 2556 1 6 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.153 0.127 25536 2557 1 6 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.916 -1.778 25536 2558 1 6 . 1 1 37 37 LEU H H 37 7.595 7.595 7.529 0.066 25536 2559 1 6 . 1 1 38 38 HIS N N 38 117.829 117.829 117.172 0.657 25536 2560 1 6 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.197 0.485 25536 2561 1 6 . 1 1 38 38 HIS C C 38 180.133 180.133 178.125 2.008 25536 2562 1 6 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.407 -1.116 25536 2563 1 6 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.232 1.179 25536 2564 1 6 . 1 1 38 38 HIS H H 38 8.955 8.955 8.594 0.361 25536 2565 1 6 . 1 1 39 39 ALA N N 39 124.006 124.006 122.089 1.917 25536 2566 1 6 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.231 0.015 25536 2567 1 6 . 1 1 39 39 ALA C C 39 178.835 178.835 178.613 0.222 25536 2568 1 6 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.547 0.538 25536 2569 1 6 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.479 -0.368 25536 2570 1 6 . 1 1 39 39 ALA H H 39 7.945 7.945 8.279 -0.334 25536 2571 1 6 . 1 1 40 40 ALA N N 40 118.201 118.201 119.525 -1.324 25536 2572 1 6 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.391 0.030 25536 2573 1 6 . 1 1 40 40 ALA C C 40 176.261 176.261 177.990 -1.729 25536 2574 1 6 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.487 -0.351 25536 2575 1 6 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.322 0.790 25536 2576 1 6 . 1 1 40 40 ALA H H 40 7.665 7.665 7.693 -0.028 25536 2577 1 6 . 1 1 41 41 GLY N N 41 103.920 103.920 107.611 -3.691 25536 2578 1 6 . 1 1 41 41 GLY C C 41 174.412 174.412 173.736 0.676 25536 2579 1 6 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.797 0.170 25536 2580 1 6 . 1 1 41 41 GLY H H 41 7.683 7.683 7.742 -0.059 25536 2581 1 6 . 1 1 42 42 ALA N N 42 123.582 123.582 121.893 1.689 25536 2582 1 6 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.406 0.229 25536 2583 1 6 . 1 1 42 42 ALA C C 42 175.772 175.772 177.029 -1.257 25536 2584 1 6 . 1 1 42 42 ALA CA C 42 52.680 52.680 50.759 1.921 25536 2585 1 6 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.407 -0.051 25536 2586 1 6 . 1 1 42 42 ALA H H 42 7.578 7.578 7.664 -0.086 25536 2587 1 6 . 1 1 43 43 GLN N N 43 116.996 116.996 120.762 -3.766 25536 2588 1 6 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.556 -0.207 25536 2589 1 6 . 1 1 43 43 GLN C C 43 175.528 175.528 175.336 0.192 25536 2590 1 6 . 1 1 43 43 GLN CA C 43 54.651 54.651 54.366 0.285 25536 2591 1 6 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.161 3.253 25536 2592 1 6 . 1 1 43 43 GLN H H 43 8.481 8.481 8.526 -0.045 25536 2593 1 6 . 1 1 44 44 GLY N N 44 108.128 108.128 106.434 1.694 25536 2594 1 6 . 1 1 44 44 GLY C C 44 173.892 173.892 172.616 1.276 25536 2595 1 6 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.456 -0.758 25536 2596 1 6 . 1 1 44 44 GLY H H 44 8.510 8.510 7.790 0.720 25536 2597 1 6 . 1 1 45 45 GLU N N 45 114.113 114.113 118.433 -4.320 25536 2598 1 6 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.381 0.227 25536 2599 1 6 . 1 1 45 45 GLU C C 45 174.007 174.007 174.333 -0.326 25536 2600 1 6 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.816 1.014 25536 2601 1 6 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.462 1.589 25536 2602 1 6 . 1 1 45 45 GLU H H 45 8.245 8.245 8.218 0.027 25536 2603 1 6 . 1 1 46 46 MET N N 46 115.322 115.322 117.586 -2.264 25536 2604 1 6 . 1 1 46 46 MET HA H 46 5.051 5.051 4.512 0.539 25536 2605 1 6 . 1 1 46 46 MET C C 46 174.637 174.637 174.518 0.119 25536 2606 1 6 . 1 1 46 46 MET CA C 46 54.264 54.264 54.044 0.220 25536 2607 1 6 . 1 1 46 46 MET CB C 46 35.854 35.854 33.850 2.004 25536 2608 1 6 . 1 1 46 46 MET H H 46 6.872 6.872 7.079 -0.207 25536 2609 1 6 . 1 1 47 47 PHE N N 47 119.008 119.008 119.460 -0.452 25536 2610 1 6 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.233 -0.139 25536 2611 1 6 . 1 1 47 47 PHE C C 47 175.742 175.742 175.381 0.361 25536 2612 1 6 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.384 1.954 25536 2613 1 6 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.347 5.565 25536 2614 1 6 . 1 1 47 47 PHE H H 47 8.623 8.623 8.975 -0.352 25536 2615 1 6 . 1 1 48 48 THR N N 48 110.544 110.544 111.587 -1.043 25536 2616 1 6 . 1 1 48 48 THR HA H 48 4.990 4.990 4.553 0.437 25536 2617 1 6 . 1 1 48 48 THR C C 48 176.666 176.666 176.239 0.427 25536 2618 1 6 . 1 1 48 48 THR CA C 48 61.095 61.095 60.487 0.608 25536 2619 1 6 . 1 1 48 48 THR CB C 48 71.136 71.136 71.052 0.084 25536 2620 1 6 . 1 1 48 48 THR H H 48 9.108 9.108 8.865 0.243 25536 2621 1 6 . 1 1 49 49 VAL N N 49 121.588 121.588 121.691 -0.103 25536 2622 1 6 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.523 -0.142 25536 2623 1 6 . 1 1 49 49 VAL C C 49 177.726 177.726 177.906 -0.180 25536 2624 1 6 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.400 0.841 25536 2625 1 6 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.742 -0.187 25536 2626 1 6 . 1 1 49 49 VAL H H 49 9.044 9.044 8.876 0.168 25536 2627 1 6 . 1 1 50 50 LYS N N 50 118.341 118.341 119.633 -1.292 25536 2628 1 6 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.886 0.073 25536 2629 1 6 . 1 1 50 50 LYS C C 50 180.060 180.060 178.596 1.464 25536 2630 1 6 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.661 0.695 25536 2631 1 6 . 1 1 50 50 LYS CB C 50 32.839 32.839 32.150 0.689 25536 2632 1 6 . 1 1 50 50 LYS H H 50 8.132 8.132 8.413 -0.281 25536 2633 1 6 . 1 1 51 51 GLU N N 51 119.521 119.521 118.721 0.800 25536 2634 1 6 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.887 0.159 25536 2635 1 6 . 1 1 51 51 GLU C C 51 178.583 178.583 178.697 -0.114 25536 2636 1 6 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.174 0.729 25536 2637 1 6 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.899 1.557 25536 2638 1 6 . 1 1 51 51 GLU H H 51 7.877 7.877 7.821 0.056 25536 2639 1 6 . 1 1 52 52 VAL N N 52 119.044 119.044 118.082 0.962 25536 2640 1 6 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.521 -0.271 25536 2641 1 6 . 1 1 52 52 VAL C C 52 177.546 177.546 177.844 -0.298 25536 2642 1 6 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.833 2.068 25536 2643 1 6 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.029 0.349 25536 2644 1 6 . 1 1 52 52 VAL H H 52 8.245 8.245 8.375 -0.130 25536 2645 1 6 . 1 1 53 53 MET N N 53 114.669 114.669 117.688 -3.019 25536 2646 1 6 . 1 1 53 53 MET HA H 53 4.198 4.198 4.018 0.180 25536 2647 1 6 . 1 1 53 53 MET C C 53 178.699 178.699 177.597 1.102 25536 2648 1 6 . 1 1 53 53 MET CA C 53 57.748 57.748 58.543 -0.795 25536 2649 1 6 . 1 1 53 53 MET CB C 53 32.680 32.680 31.724 0.956 25536 2650 1 6 . 1 1 53 53 MET H H 53 8.188 8.188 8.092 0.096 25536 2651 1 6 . 1 1 54 54 HIS N N 54 118.909 118.909 120.649 -1.740 25536 2652 1 6 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.088 0.029 25536 2653 1 6 . 1 1 54 54 HIS C C 54 178.675 178.675 176.806 1.869 25536 2654 1 6 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.786 -0.514 25536 2655 1 6 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.601 0.996 25536 2656 1 6 . 1 1 54 54 HIS H H 54 8.091 8.091 7.697 0.394 25536 2657 1 6 . 1 1 55 55 TYR N N 55 116.769 116.769 117.215 -0.446 25536 2658 1 6 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.234 -0.382 25536 2659 1 6 . 1 1 55 55 TYR C C 55 177.794 177.794 177.934 -0.140 25536 2660 1 6 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.329 3.388 25536 2661 1 6 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.248 1.881 25536 2662 1 6 . 1 1 55 55 TYR H H 55 8.468 8.468 7.238 1.230 25536 2663 1 6 . 1 1 56 56 LEU N N 56 120.819 120.819 120.656 0.163 25536 2664 1 6 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.957 -0.148 25536 2665 1 6 . 1 1 56 56 LEU C C 56 178.484 178.484 179.398 -0.914 25536 2666 1 6 . 1 1 56 56 LEU CA C 56 58.622 58.622 58.264 0.358 25536 2667 1 6 . 1 1 56 56 LEU CB C 56 42.581 42.581 40.665 1.916 25536 2668 1 6 . 1 1 56 56 LEU H H 56 8.455 8.455 7.479 0.976 25536 2669 1 6 . 1 1 57 57 GLY N N 57 104.896 104.896 106.587 -1.691 25536 2670 1 6 . 1 1 57 57 GLY C C 57 175.647 175.647 175.857 -0.210 25536 2671 1 6 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.168 0.071 25536 2672 1 6 . 1 1 57 57 GLY H H 57 7.691 7.691 8.237 -0.546 25536 2673 1 6 . 1 1 58 58 GLN N N 58 119.080 119.080 121.981 -2.901 25536 2674 1 6 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.988 -0.176 25536 2675 1 6 . 1 1 58 58 GLN C C 58 177.429 177.429 177.757 -0.328 25536 2676 1 6 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.496 0.182 25536 2677 1 6 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.370 0.505 25536 2678 1 6 . 1 1 58 58 GLN H H 58 7.704 7.704 7.956 -0.252 25536 2679 1 6 . 1 1 59 59 TYR N N 59 120.995 120.995 122.308 -1.313 25536 2680 1 6 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.209 -0.405 25536 2681 1 6 . 1 1 59 59 TYR C C 59 176.215 176.215 177.449 -1.234 25536 2682 1 6 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.292 0.273 25536 2683 1 6 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.758 -0.139 25536 2684 1 6 . 1 1 59 59 TYR H H 59 8.500 8.500 8.301 0.199 25536 2685 1 6 . 1 1 60 60 ILE N N 60 116.532 116.532 119.404 -2.872 25536 2686 1 6 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.612 -0.309 25536 2687 1 6 . 1 1 60 60 ILE C C 60 177.952 177.952 178.158 -0.206 25536 2688 1 6 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.648 -0.101 25536 2689 1 6 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.987 0.444 25536 2690 1 6 . 1 1 60 60 ILE H H 60 7.585 7.585 8.616 -1.031 25536 2691 1 6 . 1 1 61 61 MET N N 61 115.556 115.556 119.415 -3.859 25536 2692 1 6 . 1 1 61 61 MET HA H 61 4.547 4.547 4.352 0.195 25536 2693 1 6 . 1 1 61 61 MET C C 61 180.579 180.579 178.191 2.388 25536 2694 1 6 . 1 1 61 61 MET CA C 61 57.563 57.563 58.234 -0.671 25536 2695 1 6 . 1 1 61 61 MET CB C 61 31.473 31.473 32.605 -1.132 25536 2696 1 6 . 1 1 61 61 MET H H 61 7.707 7.707 8.080 -0.373 25536 2697 1 6 . 1 1 62 62 VAL N N 62 120.872 120.872 119.139 1.733 25536 2698 1 6 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.787 0.041 25536 2699 1 6 . 1 1 62 62 VAL C C 62 178.786 178.786 177.381 1.405 25536 2700 1 6 . 1 1 62 62 VAL CA C 62 66.112 66.112 65.033 1.079 25536 2701 1 6 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.281 -0.290 25536 2702 1 6 . 1 1 62 62 VAL H H 62 9.009 9.009 8.219 0.790 25536 2703 1 6 . 1 1 63 63 LYS N N 63 116.652 116.652 117.781 -1.129 25536 2704 1 6 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.160 -0.103 25536 2705 1 6 . 1 1 63 63 LYS C C 63 174.784 174.784 175.687 -0.903 25536 2706 1 6 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.600 0.483 25536 2707 1 6 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.135 -0.674 25536 2708 1 6 . 1 1 63 63 LYS H H 63 7.812 7.812 8.147 -0.335 25536 2709 1 6 . 1 1 64 64 GLN N N 64 115.445 115.445 115.057 0.388 25536 2710 1 6 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.741 -0.135 25536 2711 1 6 . 1 1 64 64 GLN C C 64 175.550 175.550 175.017 0.533 25536 2712 1 6 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.363 0.616 25536 2713 1 6 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.505 0.743 25536 2714 1 6 . 1 1 64 64 GLN H H 64 7.642 7.642 7.959 -0.317 25536 2715 1 6 . 1 1 65 65 LEU N N 65 115.724 115.724 117.204 -1.480 25536 2716 1 6 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.232 0.225 25536 2717 1 6 . 1 1 65 65 LEU C C 65 175.979 175.979 176.847 -0.868 25536 2718 1 6 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.090 0.564 25536 2719 1 6 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.409 0.541 25536 2720 1 6 . 1 1 65 65 LEU H H 65 8.097 8.097 7.487 0.610 25536 2721 1 6 . 1 1 66 66 TYR N N 66 112.953 112.953 115.072 -2.119 25536 2722 1 6 . 1 1 66 66 TYR HA H 66 5.292 5.292 4.791 0.501 25536 2723 1 6 . 1 1 66 66 TYR C C 66 173.941 173.941 175.710 -1.769 25536 2724 1 6 . 1 1 66 66 TYR CA C 66 54.629 54.629 55.053 -0.424 25536 2725 1 6 . 1 1 66 66 TYR CB C 66 39.748 39.748 39.017 0.731 25536 2726 1 6 . 1 1 66 66 TYR H H 66 6.856 6.856 6.725 0.131 25536 2727 1 6 . 1 1 67 67 ASP N N 67 122.196 122.196 121.045 1.151 25536 2728 1 6 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.730 -0.292 25536 2729 1 6 . 1 1 67 67 ASP C C 67 176.779 176.779 177.410 -0.631 25536 2730 1 6 . 1 1 67 67 ASP CA C 67 53.980 53.980 54.401 -0.421 25536 2731 1 6 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.526 0.006 25536 2732 1 6 . 1 1 67 67 ASP H H 67 8.324 8.324 8.274 0.050 25536 2733 1 6 . 1 1 68 68 GLN N N 68 123.042 123.042 123.184 -0.142 25536 2734 1 6 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.107 -0.221 25536 2735 1 6 . 1 1 68 68 GLN C C 68 177.122 177.122 177.478 -0.356 25536 2736 1 6 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.580 0.452 25536 2737 1 6 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.467 0.620 25536 2738 1 6 . 1 1 68 68 GLN H H 68 8.563 8.563 8.814 -0.251 25536 2739 1 6 . 1 1 69 69 GLN N N 69 115.263 115.263 115.532 -0.269 25536 2740 1 6 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.317 0.040 25536 2741 1 6 . 1 1 69 69 GLN C C 69 176.272 176.272 176.169 0.103 25536 2742 1 6 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.147 -0.018 25536 2743 1 6 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.978 0.146 25536 2744 1 6 . 1 1 69 69 GLN H H 69 8.356 8.356 8.458 -0.102 25536 2745 1 6 . 1 1 70 70 GLU N N 70 122.549 122.549 119.372 3.177 25536 2746 1 6 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.476 0.043 25536 2747 1 6 . 1 1 70 70 GLU C C 70 175.953 175.953 175.706 0.247 25536 2748 1 6 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.203 -0.246 25536 2749 1 6 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.828 -0.268 25536 2750 1 6 . 1 1 70 70 GLU H H 70 8.227 8.227 7.794 0.433 25536 2751 1 6 . 1 1 71 71 GLN N N 71 118.815 118.815 121.522 -2.707 25536 2752 1 6 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.746 0.806 25536 2753 1 6 . 1 1 71 71 GLN C C 71 174.842 174.842 176.364 -1.522 25536 2754 1 6 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.296 1.401 25536 2755 1 6 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.343 -0.413 25536 2756 1 6 . 1 1 71 71 GLN H H 71 8.253 8.253 8.744 -0.491 25536 2757 1 6 . 1 1 72 72 HIS N N 72 111.141 111.141 111.117 0.024 25536 2758 1 6 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.456 -0.283 25536 2759 1 6 . 1 1 72 72 HIS C C 72 173.749 173.749 175.064 -1.315 25536 2760 1 6 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.769 0.490 25536 2761 1 6 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.498 1.573 25536 2762 1 6 . 1 1 72 72 HIS H H 72 7.412 7.412 7.383 0.029 25536 2763 1 6 . 1 1 73 73 MET N N 73 119.350 119.350 120.549 -1.199 25536 2764 1 6 . 1 1 73 73 MET HA H 73 4.584 4.584 4.588 -0.004 25536 2765 1 6 . 1 1 73 73 MET C C 73 174.311 174.311 174.457 -0.146 25536 2766 1 6 . 1 1 73 73 MET CA C 73 53.186 53.186 54.187 -1.001 25536 2767 1 6 . 1 1 73 73 MET CB C 73 31.731 31.731 32.506 -0.775 25536 2768 1 6 . 1 1 73 73 MET H H 73 7.766 7.766 7.304 0.462 25536 2769 1 6 . 1 1 74 74 VAL N N 74 122.542 122.542 124.160 -1.618 25536 2770 1 6 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.026 -0.078 25536 2771 1 6 . 1 1 74 74 VAL C C 74 174.756 174.756 173.614 1.142 25536 2772 1 6 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.834 0.788 25536 2773 1 6 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.565 0.249 25536 2774 1 6 . 1 1 74 74 VAL H H 74 8.456 8.456 8.587 -0.131 25536 2775 1 6 . 1 1 75 75 TYR N N 75 125.680 125.680 125.491 0.189 25536 2776 1 6 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.185 -0.426 25536 2777 1 6 . 1 1 75 75 TYR C C 75 174.923 174.923 175.351 -0.428 25536 2778 1 6 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.132 0.680 25536 2779 1 6 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.036 0.813 25536 2780 1 6 . 1 1 75 75 TYR H H 75 8.213 8.213 8.705 -0.492 25536 2781 1 6 . 1 1 76 76 CYS N N 76 116.702 116.702 120.747 -4.045 25536 2782 1 6 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.583 0.156 25536 2783 1 6 . 1 1 76 76 CYS C C 76 174.231 174.231 175.244 -1.013 25536 2784 1 6 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.735 -2.632 25536 2785 1 6 . 1 1 76 76 CYS CB C 76 29.697 29.697 28.355 1.342 25536 2786 1 6 . 1 1 76 76 CYS H H 76 8.307 8.307 8.623 -0.316 25536 2787 1 6 . 1 1 77 77 GLY N N 77 111.569 111.569 109.372 2.197 25536 2788 1 6 . 1 1 77 77 GLY C C 77 174.662 174.662 174.811 -0.149 25536 2789 1 6 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.598 0.551 25536 2790 1 6 . 1 1 77 77 GLY H H 77 8.484 8.484 7.862 0.622 25536 2791 1 6 . 1 1 78 78 GLY N N 78 113.022 113.022 113.056 -0.034 25536 2792 1 6 . 1 1 78 78 GLY C C 78 172.811 172.811 174.393 -1.582 25536 2793 1 6 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.822 0.938 25536 2794 1 6 . 1 1 78 78 GLY H H 78 8.889 8.889 8.611 0.278 25536 2795 1 6 . 1 1 79 79 ASP N N 79 119.431 119.431 120.308 -0.877 25536 2796 1 6 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.792 0.096 25536 2797 1 6 . 1 1 79 79 ASP C C 79 176.302 176.302 176.098 0.204 25536 2798 1 6 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.614 -0.521 25536 2799 1 6 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.606 4.658 25536 2800 1 6 . 1 1 79 79 ASP H H 79 7.789 7.789 7.852 -0.063 25536 2801 1 6 . 1 1 80 80 LEU N N 80 128.421 128.421 124.121 4.300 25536 2802 1 6 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.247 -0.183 25536 2803 1 6 . 1 1 80 80 LEU C C 80 179.059 179.059 178.754 0.305 25536 2804 1 6 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.592 1.211 25536 2805 1 6 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.369 0.034 25536 2806 1 6 . 1 1 80 80 LEU H H 80 8.549 8.549 8.961 -0.412 25536 2807 1 6 . 1 1 81 81 LEU N N 81 118.633 118.633 119.933 -1.300 25536 2808 1 6 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.970 -0.103 25536 2809 1 6 . 1 1 81 81 LEU C C 81 178.542 178.542 178.421 0.121 25536 2810 1 6 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.876 0.895 25536 2811 1 6 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.104 1.545 25536 2812 1 6 . 1 1 81 81 LEU H H 81 9.973 9.973 8.631 1.342 25536 2813 1 6 . 1 1 82 82 GLY N N 82 105.564 105.564 106.140 -0.576 25536 2814 1 6 . 1 1 82 82 GLY C C 82 176.907 176.907 175.756 1.151 25536 2815 1 6 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.200 0.863 25536 2816 1 6 . 1 1 82 82 GLY H H 82 7.559 7.559 8.470 -0.911 25536 2817 1 6 . 1 1 83 83 GLU N N 83 121.706 121.706 122.396 -0.690 25536 2818 1 6 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.098 -0.116 25536 2819 1 6 . 1 1 83 83 GLU C C 83 179.215 179.215 178.293 0.922 25536 2820 1 6 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.718 0.443 25536 2821 1 6 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.468 0.025 25536 2822 1 6 . 1 1 83 83 GLU H H 83 7.536 7.536 8.046 -0.510 25536 2823 1 6 . 1 1 84 84 LEU N N 84 118.455 118.455 120.342 -1.887 25536 2824 1 6 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.014 0.010 25536 2825 1 6 . 1 1 84 84 LEU C C 84 178.842 178.842 178.090 0.752 25536 2826 1 6 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.494 -0.019 25536 2827 1 6 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.004 0.483 25536 2828 1 6 . 1 1 84 84 LEU H H 84 7.701 7.701 8.053 -0.352 25536 2829 1 6 . 1 1 85 85 LEU N N 85 115.271 115.271 117.058 -1.787 25536 2830 1 6 . 1 1 85 85 LEU HA H 85 3.776 3.776 4.079 -0.303 25536 2831 1 6 . 1 1 85 85 LEU C C 85 177.773 177.773 178.120 -0.347 25536 2832 1 6 . 1 1 85 85 LEU CA C 85 56.375 56.375 55.835 0.540 25536 2833 1 6 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.691 1.202 25536 2834 1 6 . 1 1 85 85 LEU H H 85 8.117 8.117 7.878 0.239 25536 2835 1 6 . 1 1 86 86 GLY N N 86 107.216 107.216 106.303 0.913 25536 2836 1 6 . 1 1 86 86 GLY C C 86 174.090 174.090 173.760 0.330 25536 2837 1 6 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.354 0.961 25536 2838 1 6 . 1 1 86 86 GLY H H 86 7.983 7.983 7.918 0.065 25536 2839 1 6 . 1 1 87 87 ARG N N 87 113.296 113.296 118.063 -4.767 25536 2840 1 6 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.730 -0.076 25536 2841 1 6 . 1 1 87 87 ARG C C 87 174.720 174.720 175.050 -0.330 25536 2842 1 6 . 1 1 87 87 ARG CA C 87 54.279 54.279 55.089 -0.810 25536 2843 1 6 . 1 1 87 87 ARG CB C 87 34.395 34.395 33.202 1.193 25536 2844 1 6 . 1 1 87 87 ARG H H 87 7.411 7.411 7.408 0.003 25536 2845 1 6 . 1 1 88 88 GLN N N 88 115.575 115.575 122.219 -6.644 25536 2846 1 6 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.493 -0.440 25536 2847 1 6 . 1 1 88 88 GLN C C 88 175.946 175.946 175.126 0.820 25536 2848 1 6 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.162 0.250 25536 2849 1 6 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.657 0.134 25536 2850 1 6 . 1 1 88 88 GLN H H 88 8.653 8.653 8.791 -0.138 25536 2851 1 6 . 1 1 89 89 SER N N 89 110.451 110.451 112.722 -2.271 25536 2852 1 6 . 1 1 89 89 SER HA H 89 5.428 5.428 5.429 -0.001 25536 2853 1 6 . 1 1 89 89 SER C C 89 173.062 173.062 172.977 0.085 25536 2854 1 6 . 1 1 89 89 SER CA C 89 57.011 57.011 56.647 0.364 25536 2855 1 6 . 1 1 89 89 SER CB C 89 66.560 66.560 66.101 0.459 25536 2856 1 6 . 1 1 89 89 SER H H 89 7.625 7.625 7.689 -0.064 25536 2857 1 6 . 1 1 90 90 PHE N N 90 115.159 115.159 116.946 -1.787 25536 2858 1 6 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.919 -0.234 25536 2859 1 6 . 1 1 90 90 PHE C C 90 170.337 170.337 172.449 -2.112 25536 2860 1 6 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.497 -0.299 25536 2861 1 6 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.414 -0.002 25536 2862 1 6 . 1 1 90 90 PHE H H 90 8.549 8.549 8.108 0.441 25536 2863 1 6 . 1 1 91 91 SER N N 91 113.637 113.637 114.494 -0.857 25536 2864 1 6 . 1 1 91 91 SER HA H 91 5.350 5.350 5.344 0.006 25536 2865 1 6 . 1 1 91 91 SER C C 91 178.100 178.100 176.333 1.767 25536 2866 1 6 . 1 1 91 91 SER CA C 91 54.748 54.748 54.591 0.157 25536 2867 1 6 . 1 1 91 91 SER CB C 91 65.325 65.325 65.898 -0.574 25536 2868 1 6 . 1 1 91 91 SER H H 91 9.010 9.010 8.200 0.810 25536 2869 1 6 . 1 1 92 92 VAL N N 92 120.560 120.560 122.322 -1.762 25536 2870 1 6 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.978 -0.070 25536 2871 1 6 . 1 1 92 92 VAL C C 92 175.704 175.704 175.915 -0.211 25536 2872 1 6 . 1 1 92 92 VAL CA C 92 64.000 64.000 64.814 -0.814 25536 2873 1 6 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.908 -1.108 25536 2874 1 6 . 1 1 92 92 VAL H H 92 8.948 8.948 8.685 0.263 25536 2875 1 6 . 1 1 93 93 LYS N N 93 116.481 116.481 118.082 -1.601 25536 2876 1 6 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.378 -0.431 25536 2877 1 6 . 1 1 93 93 LYS C C 93 177.088 177.088 176.278 0.810 25536 2878 1 6 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.798 0.901 25536 2879 1 6 . 1 1 93 93 LYS CB C 93 32.258 32.258 32.633 -0.374 25536 2880 1 6 . 1 1 93 93 LYS H H 93 8.086 8.086 7.709 0.377 25536 2881 1 6 . 1 1 94 94 ASP N N 94 114.885 114.885 119.025 -4.140 25536 2882 1 6 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.050 -0.108 25536 2883 1 6 . 1 1 94 94 ASP C C 94 173.021 173.021 174.955 -1.934 25536 2884 1 6 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.715 -0.126 25536 2885 1 6 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.755 -0.310 25536 2886 1 6 . 1 1 94 94 ASP H H 94 7.399 7.399 7.779 -0.380 25536 2887 1 6 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.919 -0.501 25536 2888 1 6 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.349 0.298 25536 2889 1 6 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.789 -0.029 25536 2890 1 6 . 1 1 96 96 SER N N 96 118.790 118.790 117.533 1.257 25536 2891 1 6 . 1 1 96 96 SER HA H 96 4.219 4.219 4.113 0.106 25536 2892 1 6 . 1 1 96 96 SER C C 96 173.615 173.615 174.073 -0.458 25536 2893 1 6 . 1 1 96 96 SER CA C 96 64.525 64.525 63.877 0.648 25536 2894 1 6 . 1 1 96 96 SER CB C 96 61.994 61.994 61.028 0.966 25536 2895 1 6 . 1 1 96 96 SER H H 96 8.052 8.052 8.769 -0.717 25536 2896 1 6 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.418 -0.071 25536 2897 1 6 . 1 1 97 97 PRO CA C 97 66.016 66.016 64.979 1.037 25536 2898 1 6 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.488 0.124 25536 2899 1 6 . 1 1 98 98 LEU N N 98 117.938 117.938 121.475 -3.537 25536 2900 1 6 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.773 -0.177 25536 2901 1 6 . 1 1 98 98 LEU C C 98 178.196 178.196 178.127 0.069 25536 2902 1 6 . 1 1 98 98 LEU CA C 98 57.284 57.284 58.322 -1.038 25536 2903 1 6 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.776 -0.367 25536 2904 1 6 . 1 1 98 98 LEU H H 98 7.076 7.076 8.020 -0.944 25536 2905 1 6 . 1 1 99 99 TYR N N 99 117.957 117.957 117.505 0.452 25536 2906 1 6 . 1 1 99 99 TYR HA H 99 4.150 4.150 3.997 0.153 25536 2907 1 6 . 1 1 99 99 TYR C C 99 178.767 178.767 178.166 0.601 25536 2908 1 6 . 1 1 99 99 TYR CA C 99 61.223 61.223 62.105 -0.882 25536 2909 1 6 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.695 -0.657 25536 2910 1 6 . 1 1 99 99 TYR H H 99 7.547 7.547 7.897 -0.350 25536 2911 1 6 . 1 1 100 100 ASP N N 100 119.536 119.536 120.288 -0.752 25536 2912 1 6 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.306 0.020 25536 2913 1 6 . 1 1 100 100 ASP C C 100 177.737 177.737 178.126 -0.389 25536 2914 1 6 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.549 0.326 25536 2915 1 6 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.828 0.313 25536 2916 1 6 . 1 1 100 100 ASP H H 100 8.292 8.292 8.397 -0.105 25536 2917 1 6 . 1 1 101 101 MET N N 101 118.757 118.757 117.709 1.048 25536 2918 1 6 . 1 1 101 101 MET HA H 101 3.964 3.964 4.243 -0.279 25536 2919 1 6 . 1 1 101 101 MET C C 101 180.006 180.006 177.710 2.296 25536 2920 1 6 . 1 1 101 101 MET CA C 101 59.710 59.710 57.874 1.836 25536 2921 1 6 . 1 1 101 101 MET CB C 101 31.642 31.642 32.072 -0.430 25536 2922 1 6 . 1 1 101 101 MET H H 101 7.226 7.226 7.854 -0.628 25536 2923 1 6 . 1 1 102 102 LEU N N 102 121.624 121.624 119.916 1.708 25536 2924 1 6 . 1 1 102 102 LEU HA H 102 3.696 3.696 3.968 -0.272 25536 2925 1 6 . 1 1 102 102 LEU C C 102 178.566 178.566 179.028 -0.462 25536 2926 1 6 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.439 1.488 25536 2927 1 6 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.362 0.123 25536 2928 1 6 . 1 1 102 102 LEU H H 102 8.472 8.472 7.901 0.571 25536 2929 1 6 . 1 1 103 103 ARG N N 103 117.111 117.111 118.627 -1.516 25536 2930 1 6 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.111 -0.141 25536 2931 1 6 . 1 1 103 103 ARG C C 103 178.818 178.818 177.556 1.262 25536 2932 1 6 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.863 0.640 25536 2933 1 6 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.223 0.072 25536 2934 1 6 . 1 1 103 103 ARG H H 103 7.932 7.932 8.411 -0.479 25536 2935 1 6 . 1 1 104 104 LYS N N 104 114.172 114.172 115.595 -1.423 25536 2936 1 6 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.375 -0.153 25536 2937 1 6 . 1 1 104 104 LYS C C 104 177.556 177.556 177.470 0.086 25536 2938 1 6 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.672 1.288 25536 2939 1 6 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.082 2.145 25536 2940 1 6 . 1 1 104 104 LYS H H 104 7.157 7.157 7.601 -0.444 25536 2941 1 6 . 1 1 105 105 ASN N N 105 114.145 114.145 118.011 -3.866 25536 2942 1 6 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.725 0.006 25536 2943 1 6 . 1 1 105 105 ASN C C 105 172.822 172.822 175.366 -2.544 25536 2944 1 6 . 1 1 105 105 ASN CA C 105 54.843 54.843 55.121 -0.279 25536 2945 1 6 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.476 2.169 25536 2946 1 6 . 1 1 105 105 ASN H H 105 7.665 7.665 7.842 -0.177 25536 2947 1 6 . 1 1 106 106 LEU N N 106 118.600 118.600 116.378 2.222 25536 2948 1 6 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.850 -0.179 25536 2949 1 6 . 1 1 106 106 LEU C C 106 175.658 175.658 174.683 0.975 25536 2950 1 6 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.465 -0.307 25536 2951 1 6 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.686 -1.121 25536 2952 1 6 . 1 1 106 106 LEU H H 106 7.439 7.439 8.148 -0.709 25536 2953 1 6 . 1 1 107 107 VAL N N 107 122.739 122.739 120.819 1.920 25536 2954 1 6 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.410 -0.202 25536 2955 1 6 . 1 1 107 107 VAL C C 107 176.054 176.054 176.086 -0.032 25536 2956 1 6 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.360 0.856 25536 2957 1 6 . 1 1 107 107 VAL CB C 107 33.580 33.580 33.127 0.454 25536 2958 1 6 . 1 1 107 107 VAL H H 107 8.182 8.182 8.217 -0.035 25536 2959 1 6 . 1 1 108 108 THR N N 108 120.854 120.854 118.816 2.038 25536 2960 1 6 . 1 1 108 108 THR HA H 108 4.336 4.336 4.486 -0.150 25536 2961 1 6 . 1 1 108 108 THR C C 108 174.216 174.216 175.217 -1.001 25536 2962 1 6 . 1 1 108 108 THR CA C 108 62.726 62.726 60.607 2.119 25536 2963 1 6 . 1 1 108 108 THR CB C 108 70.080 70.080 70.053 0.027 25536 2964 1 6 . 1 1 108 108 THR H H 108 8.524 8.524 8.361 0.163 25536 2965 1 6 . 1 1 109 109 LEU N N 109 125.529 125.529 121.081 4.448 25536 2966 1 6 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.216 0.136 25536 2967 1 6 . 1 1 109 109 LEU C C 109 176.523 176.523 177.022 -0.499 25536 2968 1 6 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.334 -0.287 25536 2969 1 6 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.227 1.363 25536 2970 1 6 . 1 1 109 109 LEU H H 109 8.313 8.313 8.264 0.049 25536 2971 1 6 . 1 1 110 110 ALA N N 110 125.099 125.099 121.683 3.416 25536 2972 1 6 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.348 0.018 25536 2973 1 6 . 1 1 110 110 ALA C C 110 176.847 176.847 176.990 -0.143 25536 2974 1 6 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.920 -0.292 25536 2975 1 6 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.456 0.250 25536 2976 1 6 . 1 1 110 110 ALA H H 110 8.257 8.257 7.632 0.625 25536 2977 1 7 . 1 1 24 24 ILE N N 24 120.668 120.668 121.066 -0.398 25536 2978 1 7 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.056 0.091 25536 2979 1 7 . 1 1 24 24 ILE C C 24 175.650 175.650 176.149 -0.499 25536 2980 1 7 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.395 -0.053 25536 2981 1 7 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.377 0.690 25536 2982 1 7 . 1 1 24 24 ILE H H 24 8.119 8.119 8.495 -0.376 25536 2983 1 7 . 1 1 25 25 ASN N N 25 122.032 122.032 116.555 5.477 25536 2984 1 7 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.418 0.286 25536 2985 1 7 . 1 1 25 25 ASN C C 25 174.775 174.775 173.942 0.833 25536 2986 1 7 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.743 -0.013 25536 2987 1 7 . 1 1 25 25 ASN CB C 25 39.406 39.406 38.107 1.299 25536 2988 1 7 . 1 1 25 25 ASN H H 25 8.446 8.446 8.561 -0.115 25536 2989 1 7 . 1 1 26 26 GLN N N 26 118.655 118.655 117.575 1.080 25536 2990 1 7 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.795 -0.208 25536 2991 1 7 . 1 1 26 26 GLN C C 26 175.291 175.291 174.223 1.068 25536 2992 1 7 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.730 0.972 25536 2993 1 7 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.101 0.157 25536 2994 1 7 . 1 1 26 26 GLN H H 26 8.215 8.215 7.704 0.511 25536 2995 1 7 . 1 1 27 27 VAL N N 27 113.749 113.749 120.659 -6.910 25536 2996 1 7 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.367 0.500 25536 2997 1 7 . 1 1 27 27 VAL C C 27 173.900 173.900 174.856 -0.956 25536 2998 1 7 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.671 -1.555 25536 2999 1 7 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.019 2.085 25536 3000 1 7 . 1 1 27 27 VAL H H 27 9.417 9.417 8.550 0.867 25536 3001 1 7 . 1 1 28 28 ARG N N 28 121.515 121.515 123.626 -2.111 25536 3002 1 7 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.103 0.354 25536 3003 1 7 . 1 1 28 28 ARG C C 28 175.090 175.090 174.647 0.443 25536 3004 1 7 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.906 -1.335 25536 3005 1 7 . 1 1 28 28 ARG CB C 28 33.674 33.674 29.854 3.820 25536 3006 1 7 . 1 1 28 28 ARG H H 28 8.901 8.901 8.442 0.459 25536 3007 1 7 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.463 0.532 25536 3008 1 7 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.221 -0.169 25536 3009 1 7 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.865 -0.604 25536 3010 1 7 . 1 1 30 30 LYS N N 30 121.291 121.291 118.983 2.308 25536 3011 1 7 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.260 -0.059 25536 3012 1 7 . 1 1 30 30 LYS C C 30 177.557 177.557 178.625 -1.068 25536 3013 1 7 . 1 1 30 30 LYS CA C 30 57.722 57.722 55.866 1.856 25536 3014 1 7 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.590 0.405 25536 3015 1 7 . 1 1 30 30 LYS H H 30 8.476 8.476 8.515 -0.039 25536 3016 1 7 . 1 1 31 31 LEU N N 31 121.578 121.578 124.795 -3.217 25536 3017 1 7 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.230 -0.175 25536 3018 1 7 . 1 1 31 31 LEU C C 31 174.261 174.261 175.731 -1.470 25536 3019 1 7 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.608 0.589 25536 3020 1 7 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.873 -0.023 25536 3021 1 7 . 1 1 31 31 LEU H H 31 8.584 8.584 8.947 -0.363 25536 3022 1 7 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.243 -0.110 25536 3023 1 7 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.610 0.968 25536 3024 1 7 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.001 0.476 25536 3025 1 7 . 1 1 33 33 LEU N N 33 113.190 113.190 119.500 -6.310 25536 3026 1 7 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.194 -0.220 25536 3027 1 7 . 1 1 33 33 LEU C C 33 177.726 177.726 178.488 -0.762 25536 3028 1 7 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.930 -0.790 25536 3029 1 7 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.259 0.588 25536 3030 1 7 . 1 1 33 33 LEU H H 33 6.605 6.605 7.545 -0.940 25536 3031 1 7 . 1 1 34 34 LEU N N 34 121.683 121.683 120.540 1.143 25536 3032 1 7 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.835 -0.453 25536 3033 1 7 . 1 1 34 34 LEU C C 34 177.321 177.321 178.225 -0.904 25536 3034 1 7 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.644 0.593 25536 3035 1 7 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.327 0.584 25536 3036 1 7 . 1 1 34 34 LEU H H 34 8.399 8.399 8.576 -0.177 25536 3037 1 7 . 1 1 35 35 LYS N N 35 114.524 114.524 119.081 -4.557 25536 3038 1 7 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.016 -0.223 25536 3039 1 7 . 1 1 35 35 LYS C C 35 180.207 180.207 178.757 1.450 25536 3040 1 7 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.303 0.768 25536 3041 1 7 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.802 0.667 25536 3042 1 7 . 1 1 35 35 LYS H H 35 7.940 7.940 8.042 -0.102 25536 3043 1 7 . 1 1 36 36 ILE N N 36 119.857 119.857 119.804 0.053 25536 3044 1 7 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.751 -0.447 25536 3045 1 7 . 1 1 36 36 ILE C C 36 176.418 176.418 178.240 -1.822 25536 3046 1 7 . 1 1 36 36 ILE CA C 36 64.480 64.480 63.722 0.758 25536 3047 1 7 . 1 1 36 36 ILE CB C 36 37.604 37.604 36.698 0.906 25536 3048 1 7 . 1 1 36 36 ILE H H 36 6.742 6.742 7.623 -0.881 25536 3049 1 7 . 1 1 37 37 LEU N N 37 116.695 116.695 119.965 -3.270 25536 3050 1 7 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.901 -0.379 25536 3051 1 7 . 1 1 37 37 LEU C C 37 180.263 180.263 179.640 0.623 25536 3052 1 7 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.338 -0.058 25536 3053 1 7 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.932 -1.794 25536 3054 1 7 . 1 1 37 37 LEU H H 37 7.595 7.595 7.596 -0.001 25536 3055 1 7 . 1 1 38 38 HIS N N 38 117.829 117.829 117.673 0.156 25536 3056 1 7 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.224 0.458 25536 3057 1 7 . 1 1 38 38 HIS C C 38 180.133 180.133 178.014 2.119 25536 3058 1 7 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.457 -1.166 25536 3059 1 7 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.104 1.307 25536 3060 1 7 . 1 1 38 38 HIS H H 38 8.955 8.955 8.612 0.343 25536 3061 1 7 . 1 1 39 39 ALA N N 39 124.006 124.006 122.129 1.877 25536 3062 1 7 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.199 0.047 25536 3063 1 7 . 1 1 39 39 ALA C C 39 178.835 178.835 178.609 0.226 25536 3064 1 7 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.605 0.480 25536 3065 1 7 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.427 -0.316 25536 3066 1 7 . 1 1 39 39 ALA H H 39 7.945 7.945 8.301 -0.356 25536 3067 1 7 . 1 1 40 40 ALA N N 40 118.201 118.201 119.128 -0.927 25536 3068 1 7 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.363 0.058 25536 3069 1 7 . 1 1 40 40 ALA C C 40 176.261 176.261 178.105 -1.844 25536 3070 1 7 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.531 -0.395 25536 3071 1 7 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.264 0.848 25536 3072 1 7 . 1 1 40 40 ALA H H 40 7.665 7.665 7.736 -0.071 25536 3073 1 7 . 1 1 41 41 GLY N N 41 103.920 103.920 107.768 -3.848 25536 3074 1 7 . 1 1 41 41 GLY C C 41 174.412 174.412 174.237 0.175 25536 3075 1 7 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.770 0.196 25536 3076 1 7 . 1 1 41 41 GLY H H 41 7.683 7.683 7.743 -0.060 25536 3077 1 7 . 1 1 42 42 ALA N N 42 123.582 123.582 122.087 1.495 25536 3078 1 7 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.589 0.046 25536 3079 1 7 . 1 1 42 42 ALA C C 42 175.772 175.772 177.249 -1.477 25536 3080 1 7 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.687 0.993 25536 3081 1 7 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.042 0.314 25536 3082 1 7 . 1 1 42 42 ALA H H 42 7.578 7.578 7.691 -0.113 25536 3083 1 7 . 1 1 43 43 GLN N N 43 116.996 116.996 122.300 -5.304 25536 3084 1 7 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.437 -0.088 25536 3085 1 7 . 1 1 43 43 GLN C C 43 175.528 175.528 175.794 -0.266 25536 3086 1 7 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.798 -1.147 25536 3087 1 7 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.146 3.268 25536 3088 1 7 . 1 1 43 43 GLN H H 43 8.481 8.481 8.581 -0.100 25536 3089 1 7 . 1 1 44 44 GLY N N 44 108.128 108.128 108.598 -0.470 25536 3090 1 7 . 1 1 44 44 GLY C C 44 173.892 173.892 172.294 1.598 25536 3091 1 7 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.608 -0.909 25536 3092 1 7 . 1 1 44 44 GLY H H 44 8.510 8.510 7.801 0.709 25536 3093 1 7 . 1 1 45 45 GLU N N 45 114.113 114.113 117.897 -3.784 25536 3094 1 7 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.365 0.243 25536 3095 1 7 . 1 1 45 45 GLU C C 45 174.007 174.007 174.156 -0.149 25536 3096 1 7 . 1 1 45 45 GLU CA C 45 56.829 56.829 56.253 0.576 25536 3097 1 7 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.537 1.514 25536 3098 1 7 . 1 1 45 45 GLU H H 45 8.245 8.245 8.293 -0.048 25536 3099 1 7 . 1 1 46 46 MET N N 46 115.322 115.322 118.011 -2.689 25536 3100 1 7 . 1 1 46 46 MET HA H 46 5.051 5.051 4.456 0.595 25536 3101 1 7 . 1 1 46 46 MET C C 46 174.637 174.637 173.836 0.801 25536 3102 1 7 . 1 1 46 46 MET CA C 46 54.264 54.264 54.663 -0.399 25536 3103 1 7 . 1 1 46 46 MET CB C 46 35.854 35.854 35.245 0.610 25536 3104 1 7 . 1 1 46 46 MET H H 46 6.872 6.872 6.782 0.090 25536 3105 1 7 . 1 1 47 47 PHE N N 47 119.008 119.008 118.623 0.385 25536 3106 1 7 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.117 -0.023 25536 3107 1 7 . 1 1 47 47 PHE C C 47 175.742 175.742 174.708 1.034 25536 3108 1 7 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.701 1.637 25536 3109 1 7 . 1 1 47 47 PHE CB C 47 46.912 46.912 40.947 5.965 25536 3110 1 7 . 1 1 47 47 PHE H H 47 8.623 8.623 9.126 -0.503 25536 3111 1 7 . 1 1 48 48 THR N N 48 110.544 110.544 112.184 -1.640 25536 3112 1 7 . 1 1 48 48 THR HA H 48 4.990 4.990 4.578 0.412 25536 3113 1 7 . 1 1 48 48 THR C C 48 176.666 176.666 176.195 0.471 25536 3114 1 7 . 1 1 48 48 THR CA C 48 61.095 61.095 60.827 0.268 25536 3115 1 7 . 1 1 48 48 THR CB C 48 71.136 71.136 70.446 0.690 25536 3116 1 7 . 1 1 48 48 THR H H 48 9.108 9.108 9.407 -0.299 25536 3117 1 7 . 1 1 49 49 VAL N N 49 121.588 121.588 122.722 -1.134 25536 3118 1 7 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.634 -0.253 25536 3119 1 7 . 1 1 49 49 VAL C C 49 177.726 177.726 176.993 0.733 25536 3120 1 7 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.216 1.025 25536 3121 1 7 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.983 -0.428 25536 3122 1 7 . 1 1 49 49 VAL H H 49 9.044 9.044 8.261 0.783 25536 3123 1 7 . 1 1 50 50 LYS N N 50 118.341 118.341 117.666 0.675 25536 3124 1 7 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.060 -0.101 25536 3125 1 7 . 1 1 50 50 LYS C C 50 180.060 180.060 178.457 1.603 25536 3126 1 7 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.188 1.168 25536 3127 1 7 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.624 1.215 25536 3128 1 7 . 1 1 50 50 LYS H H 50 8.132 8.132 8.577 -0.445 25536 3129 1 7 . 1 1 51 51 GLU N N 51 119.521 119.521 120.265 -0.744 25536 3130 1 7 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.885 0.161 25536 3131 1 7 . 1 1 51 51 GLU C C 51 178.583 178.583 178.626 -0.043 25536 3132 1 7 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.406 0.497 25536 3133 1 7 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.939 1.517 25536 3134 1 7 . 1 1 51 51 GLU H H 51 7.877 7.877 7.454 0.423 25536 3135 1 7 . 1 1 52 52 VAL N N 52 119.044 119.044 117.642 1.402 25536 3136 1 7 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.456 -0.206 25536 3137 1 7 . 1 1 52 52 VAL C C 52 177.546 177.546 177.844 -0.298 25536 3138 1 7 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.760 2.141 25536 3139 1 7 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.522 -0.145 25536 3140 1 7 . 1 1 52 52 VAL H H 52 8.245 8.245 8.353 -0.108 25536 3141 1 7 . 1 1 53 53 MET N N 53 114.669 114.669 116.097 -1.428 25536 3142 1 7 . 1 1 53 53 MET HA H 53 4.198 4.198 4.007 0.191 25536 3143 1 7 . 1 1 53 53 MET C C 53 178.699 178.699 177.274 1.425 25536 3144 1 7 . 1 1 53 53 MET CA C 53 57.748 57.748 57.409 0.339 25536 3145 1 7 . 1 1 53 53 MET CB C 53 32.680 32.680 31.483 1.197 25536 3146 1 7 . 1 1 53 53 MET H H 53 8.188 8.188 7.935 0.253 25536 3147 1 7 . 1 1 54 54 HIS N N 54 118.909 118.909 119.349 -0.440 25536 3148 1 7 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.162 -0.045 25536 3149 1 7 . 1 1 54 54 HIS C C 54 178.675 178.675 176.846 1.829 25536 3150 1 7 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.226 0.046 25536 3151 1 7 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.617 0.980 25536 3152 1 7 . 1 1 54 54 HIS H H 54 8.091 8.091 7.482 0.609 25536 3153 1 7 . 1 1 55 55 TYR N N 55 116.769 116.769 116.528 0.241 25536 3154 1 7 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.228 -0.376 25536 3155 1 7 . 1 1 55 55 TYR C C 55 177.794 177.794 177.644 0.150 25536 3156 1 7 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.537 3.180 25536 3157 1 7 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.152 1.977 25536 3158 1 7 . 1 1 55 55 TYR H H 55 8.468 8.468 7.256 1.212 25536 3159 1 7 . 1 1 56 56 LEU N N 56 120.819 120.819 120.093 0.726 25536 3160 1 7 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.956 -0.147 25536 3161 1 7 . 1 1 56 56 LEU C C 56 178.484 178.484 179.161 -0.677 25536 3162 1 7 . 1 1 56 56 LEU CA C 56 58.622 58.622 58.279 0.343 25536 3163 1 7 . 1 1 56 56 LEU CB C 56 42.581 42.581 40.944 1.637 25536 3164 1 7 . 1 1 56 56 LEU H H 56 8.455 8.455 7.614 0.841 25536 3165 1 7 . 1 1 57 57 GLY N N 57 104.896 104.896 106.450 -1.554 25536 3166 1 7 . 1 1 57 57 GLY C C 57 175.647 175.647 175.714 -0.067 25536 3167 1 7 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.143 0.096 25536 3168 1 7 . 1 1 57 57 GLY H H 57 7.691 7.691 7.664 0.027 25536 3169 1 7 . 1 1 58 58 GLN N N 58 119.080 119.080 121.941 -2.861 25536 3170 1 7 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.991 -0.179 25536 3171 1 7 . 1 1 58 58 GLN C C 58 177.429 177.429 177.749 -0.320 25536 3172 1 7 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.470 0.208 25536 3173 1 7 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.365 0.510 25536 3174 1 7 . 1 1 58 58 GLN H H 58 7.704 7.704 7.657 0.047 25536 3175 1 7 . 1 1 59 59 TYR N N 59 120.995 120.995 122.540 -1.545 25536 3176 1 7 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.225 -0.421 25536 3177 1 7 . 1 1 59 59 TYR C C 59 176.215 176.215 177.429 -1.214 25536 3178 1 7 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.115 0.450 25536 3179 1 7 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.666 -0.047 25536 3180 1 7 . 1 1 59 59 TYR H H 59 8.500 8.500 8.205 0.295 25536 3181 1 7 . 1 1 60 60 ILE N N 60 116.532 116.532 119.399 -2.867 25536 3182 1 7 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.719 -0.416 25536 3183 1 7 . 1 1 60 60 ILE C C 60 177.952 177.952 178.420 -0.468 25536 3184 1 7 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.953 -0.406 25536 3185 1 7 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.989 0.442 25536 3186 1 7 . 1 1 60 60 ILE H H 60 7.585 7.585 8.744 -1.159 25536 3187 1 7 . 1 1 61 61 MET N N 61 115.556 115.556 119.638 -4.082 25536 3188 1 7 . 1 1 61 61 MET HA H 61 4.547 4.547 4.329 0.218 25536 3189 1 7 . 1 1 61 61 MET C C 61 180.579 180.579 178.358 2.221 25536 3190 1 7 . 1 1 61 61 MET CA C 61 57.563 57.563 58.425 -0.862 25536 3191 1 7 . 1 1 61 61 MET CB C 61 31.473 31.473 31.910 -0.438 25536 3192 1 7 . 1 1 61 61 MET H H 61 7.707 7.707 8.157 -0.450 25536 3193 1 7 . 1 1 62 62 VAL N N 62 120.872 120.872 119.197 1.675 25536 3194 1 7 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.861 -0.033 25536 3195 1 7 . 1 1 62 62 VAL C C 62 178.786 178.786 177.543 1.243 25536 3196 1 7 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.856 1.256 25536 3197 1 7 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.033 -0.042 25536 3198 1 7 . 1 1 62 62 VAL H H 62 9.009 9.009 8.353 0.656 25536 3199 1 7 . 1 1 63 63 LYS N N 63 116.652 116.652 117.732 -1.080 25536 3200 1 7 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.180 -0.123 25536 3201 1 7 . 1 1 63 63 LYS C C 63 174.784 174.784 175.910 -1.126 25536 3202 1 7 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.662 0.421 25536 3203 1 7 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.275 -0.814 25536 3204 1 7 . 1 1 63 63 LYS H H 63 7.812 7.812 8.181 -0.369 25536 3205 1 7 . 1 1 64 64 GLN N N 64 115.445 115.445 115.115 0.330 25536 3206 1 7 . 1 1 64 64 GLN HA H 64 3.606 3.606 4.024 -0.418 25536 3207 1 7 . 1 1 64 64 GLN C C 64 175.550 175.550 175.150 0.400 25536 3208 1 7 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.462 0.517 25536 3209 1 7 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.333 0.915 25536 3210 1 7 . 1 1 64 64 GLN H H 64 7.642 7.642 7.973 -0.331 25536 3211 1 7 . 1 1 65 65 LEU N N 65 115.724 115.724 118.474 -2.750 25536 3212 1 7 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.514 -0.057 25536 3213 1 7 . 1 1 65 65 LEU C C 65 175.979 175.979 175.671 0.308 25536 3214 1 7 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.315 0.340 25536 3215 1 7 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.845 0.105 25536 3216 1 7 . 1 1 65 65 LEU H H 65 8.097 8.097 7.734 0.363 25536 3217 1 7 . 1 1 66 66 TYR N N 66 112.953 112.953 114.563 -1.610 25536 3218 1 7 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.134 0.158 25536 3219 1 7 . 1 1 66 66 TYR C C 66 173.941 173.941 174.054 -0.113 25536 3220 1 7 . 1 1 66 66 TYR CA C 66 54.629 54.629 54.062 0.567 25536 3221 1 7 . 1 1 66 66 TYR CB C 66 39.748 39.748 41.003 -1.255 25536 3222 1 7 . 1 1 66 66 TYR H H 66 6.856 6.856 6.999 -0.143 25536 3223 1 7 . 1 1 67 67 ASP N N 67 122.196 122.196 120.801 1.395 25536 3224 1 7 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.802 -0.364 25536 3225 1 7 . 1 1 67 67 ASP C C 67 176.779 176.779 177.425 -0.646 25536 3226 1 7 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.417 0.563 25536 3227 1 7 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.725 -0.193 25536 3228 1 7 . 1 1 67 67 ASP H H 67 8.324 8.324 8.446 -0.122 25536 3229 1 7 . 1 1 68 68 GLN N N 68 123.042 123.042 123.242 -0.200 25536 3230 1 7 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.170 -0.284 25536 3231 1 7 . 1 1 68 68 GLN C C 68 177.122 177.122 177.370 -0.248 25536 3232 1 7 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.315 0.716 25536 3233 1 7 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.640 0.447 25536 3234 1 7 . 1 1 68 68 GLN H H 68 8.563 8.563 8.686 -0.123 25536 3235 1 7 . 1 1 69 69 GLN N N 69 115.263 115.263 118.150 -2.887 25536 3236 1 7 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.256 0.101 25536 3237 1 7 . 1 1 69 69 GLN C C 69 176.272 176.272 176.148 0.124 25536 3238 1 7 . 1 1 69 69 GLN CA C 69 57.129 57.129 56.858 0.271 25536 3239 1 7 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.564 0.560 25536 3240 1 7 . 1 1 69 69 GLN H H 69 8.356 8.356 8.495 -0.139 25536 3241 1 7 . 1 1 70 70 GLU N N 70 122.549 122.549 118.599 3.950 25536 3242 1 7 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.471 0.048 25536 3243 1 7 . 1 1 70 70 GLU C C 70 175.953 175.953 175.938 0.015 25536 3244 1 7 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.460 -0.503 25536 3245 1 7 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.706 -0.146 25536 3246 1 7 . 1 1 70 70 GLU H H 70 8.227 8.227 8.069 0.158 25536 3247 1 7 . 1 1 71 71 GLN N N 71 118.815 118.815 122.309 -3.494 25536 3248 1 7 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.172 0.380 25536 3249 1 7 . 1 1 71 71 GLN C C 71 174.842 174.842 176.595 -1.753 25536 3250 1 7 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.500 1.197 25536 3251 1 7 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.618 -0.688 25536 3252 1 7 . 1 1 71 71 GLN H H 71 8.253 8.253 8.799 -0.546 25536 3253 1 7 . 1 1 72 72 HIS N N 72 111.141 111.141 111.110 0.031 25536 3254 1 7 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.462 -0.289 25536 3255 1 7 . 1 1 72 72 HIS C C 72 173.749 173.749 174.549 -0.800 25536 3256 1 7 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.139 1.120 25536 3257 1 7 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.475 1.597 25536 3258 1 7 . 1 1 72 72 HIS H H 72 7.412 7.412 7.584 -0.172 25536 3259 1 7 . 1 1 73 73 MET N N 73 119.350 119.350 121.171 -1.821 25536 3260 1 7 . 1 1 73 73 MET HA H 73 4.584 4.584 4.478 0.106 25536 3261 1 7 . 1 1 73 73 MET C C 73 174.311 174.311 173.928 0.383 25536 3262 1 7 . 1 1 73 73 MET CA C 73 53.186 53.186 54.249 -1.063 25536 3263 1 7 . 1 1 73 73 MET CB C 73 31.731 31.731 33.809 -2.078 25536 3264 1 7 . 1 1 73 73 MET H H 73 7.766 7.766 7.413 0.353 25536 3265 1 7 . 1 1 74 74 VAL N N 74 122.542 122.542 125.977 -3.435 25536 3266 1 7 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.338 -0.390 25536 3267 1 7 . 1 1 74 74 VAL C C 74 174.756 174.756 174.088 0.668 25536 3268 1 7 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.955 0.667 25536 3269 1 7 . 1 1 74 74 VAL CB C 74 32.814 32.814 33.421 -0.607 25536 3270 1 7 . 1 1 74 74 VAL H H 74 8.456 8.456 8.327 0.129 25536 3271 1 7 . 1 1 75 75 TYR N N 75 125.680 125.680 124.768 0.912 25536 3272 1 7 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.191 -0.432 25536 3273 1 7 . 1 1 75 75 TYR C C 75 174.923 174.923 175.369 -0.446 25536 3274 1 7 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.083 0.730 25536 3275 1 7 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.434 0.414 25536 3276 1 7 . 1 1 75 75 TYR H H 75 8.213 8.213 9.087 -0.874 25536 3277 1 7 . 1 1 76 76 CYS N N 76 116.702 116.702 120.806 -4.104 25536 3278 1 7 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.546 0.193 25536 3279 1 7 . 1 1 76 76 CYS C C 76 174.231 174.231 176.969 -2.738 25536 3280 1 7 . 1 1 76 76 CYS CA C 76 56.103 56.103 60.123 -4.020 25536 3281 1 7 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.151 2.546 25536 3282 1 7 . 1 1 76 76 CYS H H 76 8.307 8.307 8.835 -0.528 25536 3283 1 7 . 1 1 77 77 GLY N N 77 111.569 111.569 109.640 1.929 25536 3284 1 7 . 1 1 77 77 GLY C C 77 174.662 174.662 175.389 -0.727 25536 3285 1 7 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.860 0.289 25536 3286 1 7 . 1 1 77 77 GLY H H 77 8.484 8.484 8.082 0.402 25536 3287 1 7 . 1 1 78 78 GLY N N 78 113.022 113.022 106.995 6.027 25536 3288 1 7 . 1 1 78 78 GLY C C 78 172.811 172.811 174.108 -1.297 25536 3289 1 7 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.572 1.188 25536 3290 1 7 . 1 1 78 78 GLY H H 78 8.889 8.889 8.555 0.334 25536 3291 1 7 . 1 1 79 79 ASP N N 79 119.431 119.431 119.321 0.110 25536 3292 1 7 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.941 -0.053 25536 3293 1 7 . 1 1 79 79 ASP C C 79 176.302 176.302 175.724 0.578 25536 3294 1 7 . 1 1 79 79 ASP CA C 79 53.093 53.093 52.918 0.175 25536 3295 1 7 . 1 1 79 79 ASP CB C 79 47.264 47.264 44.430 2.834 25536 3296 1 7 . 1 1 79 79 ASP H H 79 7.789 7.789 7.879 -0.090 25536 3297 1 7 . 1 1 80 80 LEU N N 80 128.421 128.421 124.228 4.193 25536 3298 1 7 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.175 -0.111 25536 3299 1 7 . 1 1 80 80 LEU C C 80 179.059 179.059 178.391 0.668 25536 3300 1 7 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.744 1.059 25536 3301 1 7 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.345 0.058 25536 3302 1 7 . 1 1 80 80 LEU H H 80 8.549 8.549 8.975 -0.426 25536 3303 1 7 . 1 1 81 81 LEU N N 81 118.633 118.633 119.910 -1.277 25536 3304 1 7 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.908 -0.041 25536 3305 1 7 . 1 1 81 81 LEU C C 81 178.542 178.542 178.394 0.148 25536 3306 1 7 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.151 0.620 25536 3307 1 7 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.093 1.556 25536 3308 1 7 . 1 1 81 81 LEU H H 81 9.973 9.973 7.986 1.987 25536 3309 1 7 . 1 1 82 82 GLY N N 82 105.564 105.564 105.575 -0.011 25536 3310 1 7 . 1 1 82 82 GLY C C 82 176.907 176.907 175.805 1.102 25536 3311 1 7 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.052 1.011 25536 3312 1 7 . 1 1 82 82 GLY H H 82 7.559 7.559 7.623 -0.064 25536 3313 1 7 . 1 1 83 83 GLU N N 83 121.706 121.706 122.663 -0.957 25536 3314 1 7 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.052 -0.070 25536 3315 1 7 . 1 1 83 83 GLU C C 83 179.215 179.215 178.760 0.455 25536 3316 1 7 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.798 0.363 25536 3317 1 7 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.434 0.059 25536 3318 1 7 . 1 1 83 83 GLU H H 83 7.536 7.536 8.093 -0.557 25536 3319 1 7 . 1 1 84 84 LEU N N 84 118.455 118.455 120.317 -1.862 25536 3320 1 7 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.043 -0.019 25536 3321 1 7 . 1 1 84 84 LEU C C 84 178.842 178.842 178.893 -0.051 25536 3322 1 7 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.250 0.225 25536 3323 1 7 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.211 0.276 25536 3324 1 7 . 1 1 84 84 LEU H H 84 7.701 7.701 8.142 -0.441 25536 3325 1 7 . 1 1 85 85 LEU N N 85 115.271 115.271 117.015 -1.744 25536 3326 1 7 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.900 -0.124 25536 3327 1 7 . 1 1 85 85 LEU C C 85 177.773 177.773 177.811 -0.038 25536 3328 1 7 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.685 -0.310 25536 3329 1 7 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.454 1.439 25536 3330 1 7 . 1 1 85 85 LEU H H 85 8.117 8.117 8.295 -0.178 25536 3331 1 7 . 1 1 86 86 GLY N N 86 107.216 107.216 104.416 2.800 25536 3332 1 7 . 1 1 86 86 GLY C C 86 174.090 174.090 173.938 0.152 25536 3333 1 7 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.414 0.901 25536 3334 1 7 . 1 1 86 86 GLY H H 86 7.983 7.983 8.146 -0.163 25536 3335 1 7 . 1 1 87 87 ARG N N 87 113.296 113.296 118.318 -5.022 25536 3336 1 7 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.733 -0.079 25536 3337 1 7 . 1 1 87 87 ARG C C 87 174.720 174.720 175.271 -0.551 25536 3338 1 7 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.726 0.553 25536 3339 1 7 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.706 2.689 25536 3340 1 7 . 1 1 87 87 ARG H H 87 7.411 7.411 7.594 -0.183 25536 3341 1 7 . 1 1 88 88 GLN N N 88 115.575 115.575 121.056 -5.481 25536 3342 1 7 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.272 -0.219 25536 3343 1 7 . 1 1 88 88 GLN C C 88 175.946 175.946 175.176 0.770 25536 3344 1 7 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.500 -0.088 25536 3345 1 7 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.142 0.648 25536 3346 1 7 . 1 1 88 88 GLN H H 88 8.653 8.653 8.827 -0.174 25536 3347 1 7 . 1 1 89 89 SER N N 89 110.451 110.451 113.009 -2.558 25536 3348 1 7 . 1 1 89 89 SER HA H 89 5.428 5.428 5.151 0.277 25536 3349 1 7 . 1 1 89 89 SER C C 89 173.062 173.062 173.180 -0.118 25536 3350 1 7 . 1 1 89 89 SER CA C 89 57.011 57.011 56.850 0.161 25536 3351 1 7 . 1 1 89 89 SER CB C 89 66.560 66.560 65.742 0.818 25536 3352 1 7 . 1 1 89 89 SER H H 89 7.625 7.625 7.602 0.023 25536 3353 1 7 . 1 1 90 90 PHE N N 90 115.159 115.159 116.200 -1.041 25536 3354 1 7 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.931 -0.246 25536 3355 1 7 . 1 1 90 90 PHE C C 90 170.337 170.337 172.463 -2.126 25536 3356 1 7 . 1 1 90 90 PHE CA C 90 57.198 57.198 56.866 0.332 25536 3357 1 7 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.061 0.351 25536 3358 1 7 . 1 1 90 90 PHE H H 90 8.549 8.549 7.573 0.976 25536 3359 1 7 . 1 1 91 91 SER N N 91 113.637 113.637 114.418 -0.781 25536 3360 1 7 . 1 1 91 91 SER HA H 91 5.350 5.350 5.004 0.346 25536 3361 1 7 . 1 1 91 91 SER C C 91 178.100 178.100 176.243 1.857 25536 3362 1 7 . 1 1 91 91 SER CA C 91 54.748 54.748 54.727 0.021 25536 3363 1 7 . 1 1 91 91 SER CB C 91 65.325 65.325 65.662 -0.337 25536 3364 1 7 . 1 1 91 91 SER H H 91 9.010 9.010 8.487 0.523 25536 3365 1 7 . 1 1 92 92 VAL N N 92 120.560 120.560 126.821 -6.261 25536 3366 1 7 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.789 0.119 25536 3367 1 7 . 1 1 92 92 VAL C C 92 175.704 175.704 176.766 -1.062 25536 3368 1 7 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.812 -1.812 25536 3369 1 7 . 1 1 92 92 VAL CB C 92 30.800 30.800 32.032 -1.232 25536 3370 1 7 . 1 1 92 92 VAL H H 92 8.948 8.948 9.163 -0.215 25536 3371 1 7 . 1 1 93 93 LYS N N 93 116.481 116.481 117.960 -1.479 25536 3372 1 7 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.287 -0.340 25536 3373 1 7 . 1 1 93 93 LYS C C 93 177.088 177.088 176.020 1.068 25536 3374 1 7 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.675 1.024 25536 3375 1 7 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.013 -0.755 25536 3376 1 7 . 1 1 93 93 LYS H H 93 8.086 8.086 7.725 0.361 25536 3377 1 7 . 1 1 94 94 ASP N N 94 114.885 114.885 119.477 -4.592 25536 3378 1 7 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.084 -0.142 25536 3379 1 7 . 1 1 94 94 ASP C C 94 173.021 173.021 175.221 -2.200 25536 3380 1 7 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.372 0.217 25536 3381 1 7 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.784 -0.339 25536 3382 1 7 . 1 1 94 94 ASP H H 94 7.399 7.399 7.865 -0.466 25536 3383 1 7 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.651 -0.233 25536 3384 1 7 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.814 -0.167 25536 3385 1 7 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.735 0.025 25536 3386 1 7 . 1 1 96 96 SER N N 96 118.790 118.790 116.667 2.123 25536 3387 1 7 . 1 1 96 96 SER HA H 96 4.219 4.219 4.187 0.032 25536 3388 1 7 . 1 1 96 96 SER C C 96 173.615 173.615 174.066 -0.451 25536 3389 1 7 . 1 1 96 96 SER CA C 96 64.525 64.525 63.721 0.804 25536 3390 1 7 . 1 1 96 96 SER CB C 96 61.994 61.994 61.026 0.968 25536 3391 1 7 . 1 1 96 96 SER H H 96 8.052 8.052 8.714 -0.662 25536 3392 1 7 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.357 -0.010 25536 3393 1 7 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.268 0.748 25536 3394 1 7 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.274 0.338 25536 3395 1 7 . 1 1 98 98 LEU N N 98 117.938 117.938 118.772 -0.834 25536 3396 1 7 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.862 -0.266 25536 3397 1 7 . 1 1 98 98 LEU C C 98 178.196 178.196 178.082 0.114 25536 3398 1 7 . 1 1 98 98 LEU CA C 98 57.284 57.284 58.171 -0.887 25536 3399 1 7 . 1 1 98 98 LEU CB C 98 41.409 41.409 40.875 0.534 25536 3400 1 7 . 1 1 98 98 LEU H H 98 7.076 7.076 7.624 -0.548 25536 3401 1 7 . 1 1 99 99 TYR N N 99 117.957 117.957 118.570 -0.613 25536 3402 1 7 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.062 0.088 25536 3403 1 7 . 1 1 99 99 TYR C C 99 178.767 178.767 177.842 0.925 25536 3404 1 7 . 1 1 99 99 TYR CA C 99 61.223 61.223 62.890 -1.667 25536 3405 1 7 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.864 -0.826 25536 3406 1 7 . 1 1 99 99 TYR H H 99 7.547 7.547 7.488 0.059 25536 3407 1 7 . 1 1 100 100 ASP N N 100 119.536 119.536 119.920 -0.384 25536 3408 1 7 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.358 -0.032 25536 3409 1 7 . 1 1 100 100 ASP C C 100 177.737 177.737 178.074 -0.337 25536 3410 1 7 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.335 0.540 25536 3411 1 7 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.868 0.272 25536 3412 1 7 . 1 1 100 100 ASP H H 100 8.292 8.292 8.388 -0.096 25536 3413 1 7 . 1 1 101 101 MET N N 101 118.757 118.757 117.328 1.429 25536 3414 1 7 . 1 1 101 101 MET HA H 101 3.964 3.964 4.403 -0.439 25536 3415 1 7 . 1 1 101 101 MET C C 101 180.006 180.006 177.682 2.324 25536 3416 1 7 . 1 1 101 101 MET CA C 101 59.710 59.710 57.562 2.148 25536 3417 1 7 . 1 1 101 101 MET CB C 101 31.642 31.642 32.086 -0.444 25536 3418 1 7 . 1 1 101 101 MET H H 101 7.226 7.226 7.511 -0.285 25536 3419 1 7 . 1 1 102 102 LEU N N 102 121.624 121.624 120.504 1.120 25536 3420 1 7 . 1 1 102 102 LEU HA H 102 3.696 3.696 3.976 -0.280 25536 3421 1 7 . 1 1 102 102 LEU C C 102 178.566 178.566 179.030 -0.464 25536 3422 1 7 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.241 1.686 25536 3423 1 7 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.272 0.213 25536 3424 1 7 . 1 1 102 102 LEU H H 102 8.472 8.472 8.036 0.436 25536 3425 1 7 . 1 1 103 103 ARG N N 103 117.111 117.111 118.082 -0.971 25536 3426 1 7 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.099 -0.129 25536 3427 1 7 . 1 1 103 103 ARG C C 103 178.818 178.818 177.430 1.388 25536 3428 1 7 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.934 0.569 25536 3429 1 7 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.141 0.154 25536 3430 1 7 . 1 1 103 103 ARG H H 103 7.932 7.932 8.407 -0.475 25536 3431 1 7 . 1 1 104 104 LYS N N 104 114.172 114.172 115.647 -1.475 25536 3432 1 7 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.381 -0.159 25536 3433 1 7 . 1 1 104 104 LYS C C 104 177.556 177.556 177.386 0.170 25536 3434 1 7 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.650 1.310 25536 3435 1 7 . 1 1 104 104 LYS CB C 104 34.227 34.227 31.990 2.237 25536 3436 1 7 . 1 1 104 104 LYS H H 104 7.157 7.157 7.779 -0.622 25536 3437 1 7 . 1 1 105 105 ASN N N 105 114.145 114.145 118.218 -4.073 25536 3438 1 7 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.677 0.054 25536 3439 1 7 . 1 1 105 105 ASN C C 105 172.822 172.822 175.393 -2.571 25536 3440 1 7 . 1 1 105 105 ASN CA C 105 54.843 54.843 55.290 -0.447 25536 3441 1 7 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.264 2.381 25536 3442 1 7 . 1 1 105 105 ASN H H 105 7.665 7.665 7.844 -0.179 25536 3443 1 7 . 1 1 106 106 LEU N N 106 118.600 118.600 116.046 2.554 25536 3444 1 7 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.804 -0.133 25536 3445 1 7 . 1 1 106 106 LEU C C 106 175.658 175.658 175.095 0.563 25536 3446 1 7 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.227 -0.070 25536 3447 1 7 . 1 1 106 106 LEU CB C 106 43.565 43.565 45.100 -1.535 25536 3448 1 7 . 1 1 106 106 LEU H H 106 7.439 7.439 8.079 -0.640 25536 3449 1 7 . 1 1 107 107 VAL N N 107 122.739 122.739 121.580 1.159 25536 3450 1 7 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.296 -0.088 25536 3451 1 7 . 1 1 107 107 VAL C C 107 176.054 176.054 176.043 0.011 25536 3452 1 7 . 1 1 107 107 VAL CA C 107 62.216 62.216 62.412 -0.196 25536 3453 1 7 . 1 1 107 107 VAL CB C 107 33.580 33.580 31.398 2.182 25536 3454 1 7 . 1 1 107 107 VAL H H 107 8.182 8.182 8.366 -0.184 25536 3455 1 7 . 1 1 108 108 THR N N 108 120.854 120.854 119.271 1.583 25536 3456 1 7 . 1 1 108 108 THR HA H 108 4.336 4.336 4.581 -0.245 25536 3457 1 7 . 1 1 108 108 THR C C 108 174.216 174.216 173.929 0.287 25536 3458 1 7 . 1 1 108 108 THR CA C 108 62.726 62.726 60.336 2.390 25536 3459 1 7 . 1 1 108 108 THR CB C 108 70.080 70.080 71.007 -0.927 25536 3460 1 7 . 1 1 108 108 THR H H 108 8.524 8.524 8.158 0.366 25536 3461 1 7 . 1 1 109 109 LEU N N 109 125.529 125.529 121.207 4.322 25536 3462 1 7 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.308 0.044 25536 3463 1 7 . 1 1 109 109 LEU C C 109 176.523 176.523 176.970 -0.447 25536 3464 1 7 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.491 -0.444 25536 3465 1 7 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.880 0.710 25536 3466 1 7 . 1 1 109 109 LEU H H 109 8.313 8.313 8.268 0.045 25536 3467 1 7 . 1 1 110 110 ALA N N 110 125.099 125.099 122.303 2.796 25536 3468 1 7 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.376 -0.010 25536 3469 1 7 . 1 1 110 110 ALA C C 110 176.847 176.847 177.166 -0.319 25536 3470 1 7 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.826 -0.198 25536 3471 1 7 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.431 0.275 25536 3472 1 7 . 1 1 110 110 ALA H H 110 8.257 8.257 7.584 0.673 25536 3473 1 8 . 1 1 24 24 ILE N N 24 120.668 120.668 121.159 -0.491 25536 3474 1 8 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.310 -0.163 25536 3475 1 8 . 1 1 24 24 ILE C C 24 175.650 175.650 175.536 0.114 25536 3476 1 8 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.084 0.258 25536 3477 1 8 . 1 1 24 24 ILE CB C 24 39.067 39.067 39.355 -0.288 25536 3478 1 8 . 1 1 24 24 ILE H H 24 8.119 8.119 8.403 -0.284 25536 3479 1 8 . 1 1 25 25 ASN N N 25 122.032 122.032 122.456 -0.424 25536 3480 1 8 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.844 -0.140 25536 3481 1 8 . 1 1 25 25 ASN C C 25 174.775 174.775 174.424 0.351 25536 3482 1 8 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.661 1.069 25536 3483 1 8 . 1 1 25 25 ASN CB C 25 39.406 39.406 38.782 0.624 25536 3484 1 8 . 1 1 25 25 ASN H H 25 8.446 8.446 8.599 -0.153 25536 3485 1 8 . 1 1 26 26 GLN N N 26 118.655 118.655 117.910 0.745 25536 3486 1 8 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.616 -0.029 25536 3487 1 8 . 1 1 26 26 GLN C C 26 175.291 175.291 174.505 0.786 25536 3488 1 8 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.200 1.502 25536 3489 1 8 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.272 -0.014 25536 3490 1 8 . 1 1 26 26 GLN H H 26 8.215 8.215 7.818 0.397 25536 3491 1 8 . 1 1 27 27 VAL N N 27 113.749 113.749 120.311 -6.562 25536 3492 1 8 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.273 0.594 25536 3493 1 8 . 1 1 27 27 VAL C C 27 173.900 173.900 175.018 -1.118 25536 3494 1 8 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.432 -1.316 25536 3495 1 8 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.524 2.580 25536 3496 1 8 . 1 1 27 27 VAL H H 27 9.417 9.417 8.290 1.127 25536 3497 1 8 . 1 1 28 28 ARG N N 28 121.515 121.515 126.510 -4.995 25536 3498 1 8 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.076 0.381 25536 3499 1 8 . 1 1 28 28 ARG C C 28 175.090 175.090 174.518 0.572 25536 3500 1 8 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.857 -1.286 25536 3501 1 8 . 1 1 28 28 ARG CB C 28 33.674 33.674 30.724 2.950 25536 3502 1 8 . 1 1 28 28 ARG H H 28 8.901 8.901 8.469 0.432 25536 3503 1 8 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.408 0.587 25536 3504 1 8 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.677 -0.625 25536 3505 1 8 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.528 -0.267 25536 3506 1 8 . 1 1 30 30 LYS N N 30 121.291 121.291 120.123 1.168 25536 3507 1 8 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.166 0.035 25536 3508 1 8 . 1 1 30 30 LYS C C 30 177.557 177.557 178.430 -0.873 25536 3509 1 8 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.121 1.601 25536 3510 1 8 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.581 0.414 25536 3511 1 8 . 1 1 30 30 LYS H H 30 8.476 8.476 8.785 -0.309 25536 3512 1 8 . 1 1 31 31 LEU N N 31 121.578 121.578 122.931 -1.353 25536 3513 1 8 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.092 -0.037 25536 3514 1 8 . 1 1 31 31 LEU C C 31 174.261 174.261 176.960 -2.699 25536 3515 1 8 . 1 1 31 31 LEU CA C 31 60.196 60.196 60.208 -0.012 25536 3516 1 8 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.349 0.501 25536 3517 1 8 . 1 1 31 31 LEU H H 31 8.584 8.584 8.853 -0.269 25536 3518 1 8 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.210 -0.077 25536 3519 1 8 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.892 0.686 25536 3520 1 8 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.203 0.275 25536 3521 1 8 . 1 1 33 33 LEU N N 33 113.190 113.190 119.370 -6.180 25536 3522 1 8 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.026 -0.051 25536 3523 1 8 . 1 1 33 33 LEU C C 33 177.726 177.726 178.743 -1.017 25536 3524 1 8 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.625 -1.485 25536 3525 1 8 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.907 -0.060 25536 3526 1 8 . 1 1 33 33 LEU H H 33 6.605 6.605 7.382 -0.777 25536 3527 1 8 . 1 1 34 34 LEU N N 34 121.683 121.683 120.055 1.628 25536 3528 1 8 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.874 -0.492 25536 3529 1 8 . 1 1 34 34 LEU C C 34 177.321 177.321 178.098 -0.777 25536 3530 1 8 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.707 0.530 25536 3531 1 8 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.389 0.522 25536 3532 1 8 . 1 1 34 34 LEU H H 34 8.399 8.399 8.543 -0.144 25536 3533 1 8 . 1 1 35 35 LYS N N 35 114.524 114.524 119.780 -5.256 25536 3534 1 8 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.000 -0.207 25536 3535 1 8 . 1 1 35 35 LYS C C 35 180.207 180.207 178.928 1.279 25536 3536 1 8 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.545 0.526 25536 3537 1 8 . 1 1 35 35 LYS CB C 35 32.469 32.469 32.008 0.461 25536 3538 1 8 . 1 1 35 35 LYS H H 35 7.940 7.940 8.146 -0.206 25536 3539 1 8 . 1 1 36 36 ILE N N 36 119.857 119.857 120.314 -0.457 25536 3540 1 8 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.429 -0.125 25536 3541 1 8 . 1 1 36 36 ILE C C 36 176.418 176.418 177.832 -1.414 25536 3542 1 8 . 1 1 36 36 ILE CA C 36 64.480 64.480 65.406 -0.926 25536 3543 1 8 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.613 -0.009 25536 3544 1 8 . 1 1 36 36 ILE H H 36 6.742 6.742 7.667 -0.925 25536 3545 1 8 . 1 1 37 37 LEU N N 37 116.695 116.695 119.045 -2.350 25536 3546 1 8 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.861 -0.339 25536 3547 1 8 . 1 1 37 37 LEU C C 37 180.263 180.263 179.379 0.884 25536 3548 1 8 . 1 1 37 37 LEU CA C 37 58.280 58.280 57.851 0.429 25536 3549 1 8 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.761 -1.623 25536 3550 1 8 . 1 1 37 37 LEU H H 37 7.595 7.595 7.714 -0.119 25536 3551 1 8 . 1 1 38 38 HIS N N 38 117.829 117.829 118.171 -0.342 25536 3552 1 8 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.187 0.495 25536 3553 1 8 . 1 1 38 38 HIS C C 38 180.133 180.133 177.983 2.150 25536 3554 1 8 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.572 -1.281 25536 3555 1 8 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.127 1.284 25536 3556 1 8 . 1 1 38 38 HIS H H 38 8.955 8.955 8.575 0.380 25536 3557 1 8 . 1 1 39 39 ALA N N 39 124.006 124.006 121.522 2.484 25536 3558 1 8 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.238 0.008 25536 3559 1 8 . 1 1 39 39 ALA C C 39 178.835 178.835 178.429 0.406 25536 3560 1 8 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.411 0.674 25536 3561 1 8 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.421 -0.310 25536 3562 1 8 . 1 1 39 39 ALA H H 39 7.945 7.945 8.362 -0.417 25536 3563 1 8 . 1 1 40 40 ALA N N 40 118.201 118.201 119.225 -1.024 25536 3564 1 8 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.371 0.050 25536 3565 1 8 . 1 1 40 40 ALA C C 40 176.261 176.261 177.567 -1.306 25536 3566 1 8 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.541 -0.405 25536 3567 1 8 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.265 0.847 25536 3568 1 8 . 1 1 40 40 ALA H H 40 7.665 7.665 7.584 0.081 25536 3569 1 8 . 1 1 41 41 GLY N N 41 103.920 103.920 106.646 -2.726 25536 3570 1 8 . 1 1 41 41 GLY C C 41 174.412 174.412 173.959 0.453 25536 3571 1 8 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.575 0.392 25536 3572 1 8 . 1 1 41 41 GLY H H 41 7.683 7.683 7.658 0.025 25536 3573 1 8 . 1 1 42 42 ALA N N 42 123.582 123.582 121.468 2.114 25536 3574 1 8 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.487 0.148 25536 3575 1 8 . 1 1 42 42 ALA C C 42 175.772 175.772 177.567 -1.795 25536 3576 1 8 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.718 0.962 25536 3577 1 8 . 1 1 42 42 ALA CB C 42 19.356 19.356 18.995 0.361 25536 3578 1 8 . 1 1 42 42 ALA H H 42 7.578 7.578 7.549 0.029 25536 3579 1 8 . 1 1 43 43 GLN N N 43 116.996 116.996 122.970 -5.974 25536 3580 1 8 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.501 -0.152 25536 3581 1 8 . 1 1 43 43 GLN C C 43 175.528 175.528 175.681 -0.153 25536 3582 1 8 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.338 -0.687 25536 3583 1 8 . 1 1 43 43 GLN CB C 43 32.414 32.414 28.677 3.737 25536 3584 1 8 . 1 1 43 43 GLN H H 43 8.481 8.481 8.531 -0.050 25536 3585 1 8 . 1 1 44 44 GLY N N 44 108.128 108.128 106.998 1.130 25536 3586 1 8 . 1 1 44 44 GLY C C 44 173.892 173.892 172.453 1.439 25536 3587 1 8 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.455 -0.757 25536 3588 1 8 . 1 1 44 44 GLY H H 44 8.510 8.510 7.339 1.171 25536 3589 1 8 . 1 1 45 45 GLU N N 45 114.113 114.113 119.045 -4.932 25536 3590 1 8 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.450 0.158 25536 3591 1 8 . 1 1 45 45 GLU C C 45 174.007 174.007 174.473 -0.466 25536 3592 1 8 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.853 0.975 25536 3593 1 8 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.641 1.410 25536 3594 1 8 . 1 1 45 45 GLU H H 45 8.245 8.245 8.207 0.038 25536 3595 1 8 . 1 1 46 46 MET N N 46 115.322 115.322 117.673 -2.351 25536 3596 1 8 . 1 1 46 46 MET HA H 46 5.051 5.051 4.409 0.642 25536 3597 1 8 . 1 1 46 46 MET C C 46 174.637 174.637 173.938 0.699 25536 3598 1 8 . 1 1 46 46 MET CA C 46 54.264 54.264 54.401 -0.137 25536 3599 1 8 . 1 1 46 46 MET CB C 46 35.854 35.854 34.887 0.967 25536 3600 1 8 . 1 1 46 46 MET H H 46 6.872 6.872 6.852 0.020 25536 3601 1 8 . 1 1 47 47 PHE N N 47 119.008 119.008 119.489 -0.481 25536 3602 1 8 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.035 0.059 25536 3603 1 8 . 1 1 47 47 PHE C C 47 175.742 175.742 173.755 1.987 25536 3604 1 8 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.913 1.425 25536 3605 1 8 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.145 5.767 25536 3606 1 8 . 1 1 47 47 PHE H H 47 8.623 8.623 8.947 -0.324 25536 3607 1 8 . 1 1 48 48 THR N N 48 110.544 110.544 111.420 -0.876 25536 3608 1 8 . 1 1 48 48 THR HA H 48 4.990 4.990 4.912 0.078 25536 3609 1 8 . 1 1 48 48 THR C C 48 176.666 176.666 176.163 0.503 25536 3610 1 8 . 1 1 48 48 THR CA C 48 61.095 61.095 60.701 0.394 25536 3611 1 8 . 1 1 48 48 THR CB C 48 71.136 71.136 70.553 0.583 25536 3612 1 8 . 1 1 48 48 THR H H 48 9.108 9.108 8.538 0.570 25536 3613 1 8 . 1 1 49 49 VAL N N 49 121.588 121.588 122.816 -1.228 25536 3614 1 8 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.673 -0.292 25536 3615 1 8 . 1 1 49 49 VAL C C 49 177.726 177.726 177.084 0.642 25536 3616 1 8 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.197 1.044 25536 3617 1 8 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.771 -0.216 25536 3618 1 8 . 1 1 49 49 VAL H H 49 9.044 9.044 8.470 0.574 25536 3619 1 8 . 1 1 50 50 LYS N N 50 118.341 118.341 115.648 2.693 25536 3620 1 8 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.081 -0.122 25536 3621 1 8 . 1 1 50 50 LYS C C 50 180.060 180.060 177.951 2.109 25536 3622 1 8 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.003 1.353 25536 3623 1 8 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.610 1.229 25536 3624 1 8 . 1 1 50 50 LYS H H 50 8.132 8.132 8.514 -0.382 25536 3625 1 8 . 1 1 51 51 GLU N N 51 119.521 119.521 120.167 -0.646 25536 3626 1 8 . 1 1 51 51 GLU HA H 51 4.046 4.046 4.013 0.033 25536 3627 1 8 . 1 1 51 51 GLU C C 51 178.583 178.583 178.378 0.205 25536 3628 1 8 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.469 1.434 25536 3629 1 8 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.952 1.504 25536 3630 1 8 . 1 1 51 51 GLU H H 51 7.877 7.877 7.526 0.351 25536 3631 1 8 . 1 1 52 52 VAL N N 52 119.044 119.044 118.278 0.766 25536 3632 1 8 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.615 -0.365 25536 3633 1 8 . 1 1 52 52 VAL C C 52 177.546 177.546 178.248 -0.702 25536 3634 1 8 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.897 2.004 25536 3635 1 8 . 1 1 52 52 VAL CB C 52 31.377 31.377 30.927 0.450 25536 3636 1 8 . 1 1 52 52 VAL H H 52 8.245 8.245 8.597 -0.352 25536 3637 1 8 . 1 1 53 53 MET N N 53 114.669 114.669 115.856 -1.187 25536 3638 1 8 . 1 1 53 53 MET HA H 53 4.198 4.198 4.062 0.136 25536 3639 1 8 . 1 1 53 53 MET C C 53 178.699 178.699 177.070 1.629 25536 3640 1 8 . 1 1 53 53 MET CA C 53 57.748 57.748 57.397 0.352 25536 3641 1 8 . 1 1 53 53 MET CB C 53 32.680 32.680 31.309 1.371 25536 3642 1 8 . 1 1 53 53 MET H H 53 8.188 8.188 8.046 0.142 25536 3643 1 8 . 1 1 54 54 HIS N N 54 118.909 118.909 120.496 -1.587 25536 3644 1 8 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.151 -0.034 25536 3645 1 8 . 1 1 54 54 HIS C C 54 178.675 178.675 177.038 1.637 25536 3646 1 8 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.467 -0.195 25536 3647 1 8 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.619 0.978 25536 3648 1 8 . 1 1 54 54 HIS H H 54 8.091 8.091 7.266 0.825 25536 3649 1 8 . 1 1 55 55 TYR N N 55 116.769 116.769 117.071 -0.302 25536 3650 1 8 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.143 -0.291 25536 3651 1 8 . 1 1 55 55 TYR C C 55 177.794 177.794 177.937 -0.143 25536 3652 1 8 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.739 2.978 25536 3653 1 8 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.094 2.035 25536 3654 1 8 . 1 1 55 55 TYR H H 55 8.468 8.468 7.676 0.792 25536 3655 1 8 . 1 1 56 56 LEU N N 56 120.819 120.819 120.144 0.675 25536 3656 1 8 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.906 -0.097 25536 3657 1 8 . 1 1 56 56 LEU C C 56 178.484 178.484 179.101 -0.617 25536 3658 1 8 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.629 0.993 25536 3659 1 8 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.110 1.471 25536 3660 1 8 . 1 1 56 56 LEU H H 56 8.455 8.455 7.270 1.185 25536 3661 1 8 . 1 1 57 57 GLY N N 57 104.896 104.896 106.765 -1.869 25536 3662 1 8 . 1 1 57 57 GLY C C 57 175.647 175.647 175.778 -0.131 25536 3663 1 8 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.195 0.044 25536 3664 1 8 . 1 1 57 57 GLY H H 57 7.691 7.691 7.778 -0.087 25536 3665 1 8 . 1 1 58 58 GLN N N 58 119.080 119.080 121.937 -2.857 25536 3666 1 8 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.973 -0.161 25536 3667 1 8 . 1 1 58 58 GLN C C 58 177.429 177.429 177.753 -0.324 25536 3668 1 8 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.542 0.136 25536 3669 1 8 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.353 0.522 25536 3670 1 8 . 1 1 58 58 GLN H H 58 7.704 7.704 7.867 -0.163 25536 3671 1 8 . 1 1 59 59 TYR N N 59 120.995 120.995 122.270 -1.275 25536 3672 1 8 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.214 -0.410 25536 3673 1 8 . 1 1 59 59 TYR C C 59 176.215 176.215 177.515 -1.300 25536 3674 1 8 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.184 0.381 25536 3675 1 8 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.754 -0.135 25536 3676 1 8 . 1 1 59 59 TYR H H 59 8.500 8.500 8.126 0.374 25536 3677 1 8 . 1 1 60 60 ILE N N 60 116.532 116.532 119.566 -3.034 25536 3678 1 8 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.616 -0.313 25536 3679 1 8 . 1 1 60 60 ILE C C 60 177.952 177.952 178.164 -0.212 25536 3680 1 8 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.746 -0.199 25536 3681 1 8 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.026 0.405 25536 3682 1 8 . 1 1 60 60 ILE H H 60 7.585 7.585 8.782 -1.197 25536 3683 1 8 . 1 1 61 61 MET N N 61 115.556 115.556 119.126 -3.570 25536 3684 1 8 . 1 1 61 61 MET HA H 61 4.547 4.547 4.336 0.211 25536 3685 1 8 . 1 1 61 61 MET C C 61 180.579 180.579 178.311 2.268 25536 3686 1 8 . 1 1 61 61 MET CA C 61 57.563 57.563 58.223 -0.660 25536 3687 1 8 . 1 1 61 61 MET CB C 61 31.473 31.473 32.192 -0.719 25536 3688 1 8 . 1 1 61 61 MET H H 61 7.707 7.707 8.118 -0.411 25536 3689 1 8 . 1 1 62 62 VAL N N 62 120.872 120.872 118.493 2.379 25536 3690 1 8 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.730 0.098 25536 3691 1 8 . 1 1 62 62 VAL C C 62 178.786 178.786 177.565 1.221 25536 3692 1 8 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.686 1.426 25536 3693 1 8 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.058 -0.067 25536 3694 1 8 . 1 1 62 62 VAL H H 62 9.009 9.009 8.372 0.637 25536 3695 1 8 . 1 1 63 63 LYS N N 63 116.652 116.652 117.781 -1.129 25536 3696 1 8 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.093 -0.036 25536 3697 1 8 . 1 1 63 63 LYS C C 63 174.784 174.784 175.781 -0.997 25536 3698 1 8 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.573 0.510 25536 3699 1 8 . 1 1 63 63 LYS CB C 63 31.461 31.461 31.952 -0.491 25536 3700 1 8 . 1 1 63 63 LYS H H 63 7.812 7.812 8.066 -0.254 25536 3701 1 8 . 1 1 64 64 GLN N N 64 115.445 115.445 114.056 1.389 25536 3702 1 8 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.719 -0.113 25536 3703 1 8 . 1 1 64 64 GLN C C 64 175.550 175.550 175.270 0.280 25536 3704 1 8 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.506 0.473 25536 3705 1 8 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.149 1.099 25536 3706 1 8 . 1 1 64 64 GLN H H 64 7.642 7.642 7.996 -0.354 25536 3707 1 8 . 1 1 65 65 LEU N N 65 115.724 115.724 120.836 -5.112 25536 3708 1 8 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.400 0.057 25536 3709 1 8 . 1 1 65 65 LEU C C 65 175.979 175.979 175.452 0.527 25536 3710 1 8 . 1 1 65 65 LEU CA C 65 54.654 54.654 53.830 0.824 25536 3711 1 8 . 1 1 65 65 LEU CB C 65 41.950 41.950 40.755 1.195 25536 3712 1 8 . 1 1 65 65 LEU H H 65 8.097 8.097 7.595 0.502 25536 3713 1 8 . 1 1 66 66 TYR N N 66 112.953 112.953 115.458 -2.505 25536 3714 1 8 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.118 0.174 25536 3715 1 8 . 1 1 66 66 TYR C C 66 173.941 173.941 174.689 -0.748 25536 3716 1 8 . 1 1 66 66 TYR CA C 66 54.629 54.629 54.074 0.555 25536 3717 1 8 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.628 -0.880 25536 3718 1 8 . 1 1 66 66 TYR H H 66 6.856 6.856 6.863 -0.007 25536 3719 1 8 . 1 1 67 67 ASP N N 67 122.196 122.196 120.612 1.584 25536 3720 1 8 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.770 -0.332 25536 3721 1 8 . 1 1 67 67 ASP C C 67 176.779 176.779 177.756 -0.977 25536 3722 1 8 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.667 0.312 25536 3723 1 8 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.896 -0.364 25536 3724 1 8 . 1 1 67 67 ASP H H 67 8.324 8.324 8.498 -0.174 25536 3725 1 8 . 1 1 68 68 GLN N N 68 123.042 123.042 123.033 0.009 25536 3726 1 8 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.183 -0.297 25536 3727 1 8 . 1 1 68 68 GLN C C 68 177.122 177.122 177.336 -0.214 25536 3728 1 8 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.501 0.530 25536 3729 1 8 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.539 0.548 25536 3730 1 8 . 1 1 68 68 GLN H H 68 8.563 8.563 8.665 -0.102 25536 3731 1 8 . 1 1 69 69 GLN N N 69 115.263 115.263 116.846 -1.583 25536 3732 1 8 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.278 0.079 25536 3733 1 8 . 1 1 69 69 GLN C C 69 176.272 176.272 176.507 -0.235 25536 3734 1 8 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.386 -0.257 25536 3735 1 8 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.719 0.405 25536 3736 1 8 . 1 1 69 69 GLN H H 69 8.356 8.356 8.109 0.247 25536 3737 1 8 . 1 1 70 70 GLU N N 70 122.549 122.549 119.754 2.795 25536 3738 1 8 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.471 0.048 25536 3739 1 8 . 1 1 70 70 GLU C C 70 175.953 175.953 175.792 0.161 25536 3740 1 8 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.072 -0.115 25536 3741 1 8 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.353 0.207 25536 3742 1 8 . 1 1 70 70 GLU H H 70 8.227 8.227 8.244 -0.017 25536 3743 1 8 . 1 1 71 71 GLN N N 71 118.815 118.815 120.589 -1.774 25536 3744 1 8 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.922 0.630 25536 3745 1 8 . 1 1 71 71 GLN C C 71 174.842 174.842 176.181 -1.339 25536 3746 1 8 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.343 1.354 25536 3747 1 8 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.490 -0.560 25536 3748 1 8 . 1 1 71 71 GLN H H 71 8.253 8.253 8.559 -0.306 25536 3749 1 8 . 1 1 72 72 HIS N N 72 111.141 111.141 112.184 -1.043 25536 3750 1 8 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.454 -0.281 25536 3751 1 8 . 1 1 72 72 HIS C C 72 173.749 173.749 175.081 -1.332 25536 3752 1 8 . 1 1 72 72 HIS CA C 72 56.259 56.259 54.516 1.743 25536 3753 1 8 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.554 1.518 25536 3754 1 8 . 1 1 72 72 HIS H H 72 7.412 7.412 7.538 -0.126 25536 3755 1 8 . 1 1 73 73 MET N N 73 119.350 119.350 122.269 -2.919 25536 3756 1 8 . 1 1 73 73 MET HA H 73 4.584 4.584 4.491 0.093 25536 3757 1 8 . 1 1 73 73 MET C C 73 174.311 174.311 174.156 0.155 25536 3758 1 8 . 1 1 73 73 MET CA C 73 53.186 53.186 53.873 -0.687 25536 3759 1 8 . 1 1 73 73 MET CB C 73 31.731 31.731 32.585 -0.854 25536 3760 1 8 . 1 1 73 73 MET H H 73 7.766 7.766 7.306 0.460 25536 3761 1 8 . 1 1 74 74 VAL N N 74 122.542 122.542 128.611 -6.069 25536 3762 1 8 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.312 -0.364 25536 3763 1 8 . 1 1 74 74 VAL C C 74 174.756 174.756 174.238 0.518 25536 3764 1 8 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.456 0.166 25536 3765 1 8 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.102 0.712 25536 3766 1 8 . 1 1 74 74 VAL H H 74 8.456 8.456 8.618 -0.162 25536 3767 1 8 . 1 1 75 75 TYR N N 75 125.680 125.680 127.157 -1.477 25536 3768 1 8 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.247 -0.488 25536 3769 1 8 . 1 1 75 75 TYR C C 75 174.923 174.923 175.543 -0.620 25536 3770 1 8 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.075 0.737 25536 3771 1 8 . 1 1 75 75 TYR CB C 75 38.849 38.849 39.033 -0.184 25536 3772 1 8 . 1 1 75 75 TYR H H 75 8.213 8.213 8.959 -0.746 25536 3773 1 8 . 1 1 76 76 CYS N N 76 116.702 116.702 121.192 -4.490 25536 3774 1 8 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.630 0.109 25536 3775 1 8 . 1 1 76 76 CYS C C 76 174.231 174.231 175.370 -1.139 25536 3776 1 8 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.411 -2.308 25536 3777 1 8 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.420 2.277 25536 3778 1 8 . 1 1 76 76 CYS H H 76 8.307 8.307 8.813 -0.506 25536 3779 1 8 . 1 1 77 77 GLY N N 77 111.569 111.569 109.249 2.320 25536 3780 1 8 . 1 1 77 77 GLY C C 77 174.662 174.662 174.990 -0.328 25536 3781 1 8 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.611 0.538 25536 3782 1 8 . 1 1 77 77 GLY H H 77 8.484 8.484 7.930 0.554 25536 3783 1 8 . 1 1 78 78 GLY N N 78 113.022 113.022 112.909 0.113 25536 3784 1 8 . 1 1 78 78 GLY C C 78 172.811 172.811 174.277 -1.466 25536 3785 1 8 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.875 0.885 25536 3786 1 8 . 1 1 78 78 GLY H H 78 8.889 8.889 8.626 0.263 25536 3787 1 8 . 1 1 79 79 ASP N N 79 119.431 119.431 120.085 -0.654 25536 3788 1 8 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.865 0.023 25536 3789 1 8 . 1 1 79 79 ASP C C 79 176.302 176.302 176.037 0.265 25536 3790 1 8 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.173 -0.080 25536 3791 1 8 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.878 4.386 25536 3792 1 8 . 1 1 79 79 ASP H H 79 7.789 7.789 7.830 -0.041 25536 3793 1 8 . 1 1 80 80 LEU N N 80 128.421 128.421 124.502 3.919 25536 3794 1 8 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.258 -0.194 25536 3795 1 8 . 1 1 80 80 LEU C C 80 179.059 179.059 178.740 0.319 25536 3796 1 8 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.634 1.169 25536 3797 1 8 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.354 0.049 25536 3798 1 8 . 1 1 80 80 LEU H H 80 8.549 8.549 8.997 -0.448 25536 3799 1 8 . 1 1 81 81 LEU N N 81 118.633 118.633 119.464 -0.831 25536 3800 1 8 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.957 -0.090 25536 3801 1 8 . 1 1 81 81 LEU C C 81 178.542 178.542 178.034 0.508 25536 3802 1 8 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.865 0.906 25536 3803 1 8 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.247 1.402 25536 3804 1 8 . 1 1 81 81 LEU H H 81 9.973 9.973 8.751 1.222 25536 3805 1 8 . 1 1 82 82 GLY N N 82 105.564 105.564 105.997 -0.433 25536 3806 1 8 . 1 1 82 82 GLY C C 82 176.907 176.907 175.767 1.140 25536 3807 1 8 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.120 0.943 25536 3808 1 8 . 1 1 82 82 GLY H H 82 7.559 7.559 8.405 -0.846 25536 3809 1 8 . 1 1 83 83 GLU N N 83 121.706 121.706 122.632 -0.926 25536 3810 1 8 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.075 -0.093 25536 3811 1 8 . 1 1 83 83 GLU C C 83 179.215 179.215 178.781 0.434 25536 3812 1 8 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.873 0.288 25536 3813 1 8 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.553 -0.060 25536 3814 1 8 . 1 1 83 83 GLU H H 83 7.536 7.536 8.258 -0.722 25536 3815 1 8 . 1 1 84 84 LEU N N 84 118.455 118.455 120.458 -2.003 25536 3816 1 8 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.099 -0.075 25536 3817 1 8 . 1 1 84 84 LEU C C 84 178.842 178.842 177.847 0.995 25536 3818 1 8 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.055 0.420 25536 3819 1 8 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.071 0.416 25536 3820 1 8 . 1 1 84 84 LEU H H 84 7.701 7.701 7.995 -0.294 25536 3821 1 8 . 1 1 85 85 LEU N N 85 115.271 115.271 115.115 0.156 25536 3822 1 8 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.998 -0.222 25536 3823 1 8 . 1 1 85 85 LEU C C 85 177.773 177.773 177.814 -0.041 25536 3824 1 8 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.017 0.358 25536 3825 1 8 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.544 1.349 25536 3826 1 8 . 1 1 85 85 LEU H H 85 8.117 8.117 7.855 0.262 25536 3827 1 8 . 1 1 86 86 GLY N N 86 107.216 107.216 104.992 2.224 25536 3828 1 8 . 1 1 86 86 GLY C C 86 174.090 174.090 173.839 0.251 25536 3829 1 8 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.199 1.116 25536 3830 1 8 . 1 1 86 86 GLY H H 86 7.983 7.983 8.043 -0.060 25536 3831 1 8 . 1 1 87 87 ARG N N 87 113.296 113.296 116.527 -3.231 25536 3832 1 8 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.673 -0.019 25536 3833 1 8 . 1 1 87 87 ARG C C 87 174.720 174.720 174.823 -0.103 25536 3834 1 8 . 1 1 87 87 ARG CA C 87 54.279 54.279 54.114 0.165 25536 3835 1 8 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.683 2.712 25536 3836 1 8 . 1 1 87 87 ARG H H 87 7.411 7.411 7.644 -0.233 25536 3837 1 8 . 1 1 88 88 GLN N N 88 115.575 115.575 120.367 -4.792 25536 3838 1 8 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.367 -0.314 25536 3839 1 8 . 1 1 88 88 GLN C C 88 175.946 175.946 175.175 0.771 25536 3840 1 8 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.559 -0.147 25536 3841 1 8 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.240 0.550 25536 3842 1 8 . 1 1 88 88 GLN H H 88 8.653 8.653 8.845 -0.192 25536 3843 1 8 . 1 1 89 89 SER N N 89 110.451 110.451 112.280 -1.829 25536 3844 1 8 . 1 1 89 89 SER HA H 89 5.428 5.428 5.490 -0.062 25536 3845 1 8 . 1 1 89 89 SER C C 89 173.062 173.062 172.945 0.117 25536 3846 1 8 . 1 1 89 89 SER CA C 89 57.011 57.011 56.618 0.393 25536 3847 1 8 . 1 1 89 89 SER CB C 89 66.560 66.560 66.056 0.504 25536 3848 1 8 . 1 1 89 89 SER H H 89 7.625 7.625 7.637 -0.012 25536 3849 1 8 . 1 1 90 90 PHE N N 90 115.159 115.159 117.805 -2.646 25536 3850 1 8 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.928 -0.243 25536 3851 1 8 . 1 1 90 90 PHE C C 90 170.337 170.337 172.424 -2.087 25536 3852 1 8 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.263 -0.065 25536 3853 1 8 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.678 -0.266 25536 3854 1 8 . 1 1 90 90 PHE H H 90 8.549 8.549 8.178 0.371 25536 3855 1 8 . 1 1 91 91 SER N N 91 113.637 113.637 114.373 -0.736 25536 3856 1 8 . 1 1 91 91 SER HA H 91 5.350 5.350 5.155 0.195 25536 3857 1 8 . 1 1 91 91 SER C C 91 178.100 178.100 176.308 1.792 25536 3858 1 8 . 1 1 91 91 SER CA C 91 54.748 54.748 54.567 0.181 25536 3859 1 8 . 1 1 91 91 SER CB C 91 65.325 65.325 65.972 -0.647 25536 3860 1 8 . 1 1 91 91 SER H H 91 9.010 9.010 8.099 0.911 25536 3861 1 8 . 1 1 92 92 VAL N N 92 120.560 120.560 121.999 -1.439 25536 3862 1 8 . 1 1 92 92 VAL HA H 92 3.908 3.908 4.059 -0.151 25536 3863 1 8 . 1 1 92 92 VAL C C 92 175.704 175.704 176.036 -0.332 25536 3864 1 8 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.008 -1.008 25536 3865 1 8 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.702 -0.902 25536 3866 1 8 . 1 1 92 92 VAL H H 92 8.948 8.948 8.700 0.248 25536 3867 1 8 . 1 1 93 93 LYS N N 93 116.481 116.481 119.182 -2.701 25536 3868 1 8 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.337 -0.390 25536 3869 1 8 . 1 1 93 93 LYS C C 93 177.088 177.088 175.941 1.147 25536 3870 1 8 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.742 0.957 25536 3871 1 8 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.250 -0.992 25536 3872 1 8 . 1 1 93 93 LYS H H 93 8.086 8.086 7.774 0.312 25536 3873 1 8 . 1 1 94 94 ASP N N 94 114.885 114.885 118.963 -4.078 25536 3874 1 8 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.079 -0.137 25536 3875 1 8 . 1 1 94 94 ASP C C 94 173.021 173.021 174.937 -1.916 25536 3876 1 8 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.782 -0.193 25536 3877 1 8 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.776 -0.331 25536 3878 1 8 . 1 1 94 94 ASP H H 94 7.399 7.399 7.811 -0.412 25536 3879 1 8 . 1 1 95 95 PRO HA H 95 4.418 4.418 5.042 -0.624 25536 3880 1 8 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.445 0.202 25536 3881 1 8 . 1 1 95 95 PRO CB C 95 32.760 32.760 33.027 -0.267 25536 3882 1 8 . 1 1 96 96 SER N N 96 118.790 118.790 117.539 1.251 25536 3883 1 8 . 1 1 96 96 SER HA H 96 4.219 4.219 4.211 0.008 25536 3884 1 8 . 1 1 96 96 SER C C 96 173.615 173.615 173.990 -0.375 25536 3885 1 8 . 1 1 96 96 SER CA C 96 64.525 64.525 64.030 0.495 25536 3886 1 8 . 1 1 96 96 SER CB C 96 61.994 61.994 61.040 0.954 25536 3887 1 8 . 1 1 96 96 SER H H 96 8.052 8.052 8.857 -0.805 25536 3888 1 8 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.407 -0.060 25536 3889 1 8 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.160 0.856 25536 3890 1 8 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.305 0.307 25536 3891 1 8 . 1 1 98 98 LEU N N 98 117.938 117.938 118.888 -0.950 25536 3892 1 8 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.806 -0.210 25536 3893 1 8 . 1 1 98 98 LEU C C 98 178.196 178.196 178.073 0.123 25536 3894 1 8 . 1 1 98 98 LEU CA C 98 57.284 57.284 58.290 -1.006 25536 3895 1 8 . 1 1 98 98 LEU CB C 98 41.409 41.409 40.629 0.780 25536 3896 1 8 . 1 1 98 98 LEU H H 98 7.076 7.076 7.974 -0.898 25536 3897 1 8 . 1 1 99 99 TYR N N 99 117.957 117.957 118.591 -0.634 25536 3898 1 8 . 1 1 99 99 TYR HA H 99 4.150 4.150 3.985 0.165 25536 3899 1 8 . 1 1 99 99 TYR C C 99 178.767 178.767 178.081 0.686 25536 3900 1 8 . 1 1 99 99 TYR CA C 99 61.223 61.223 62.481 -1.258 25536 3901 1 8 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.711 -0.673 25536 3902 1 8 . 1 1 99 99 TYR H H 99 7.547 7.547 7.402 0.145 25536 3903 1 8 . 1 1 100 100 ASP N N 100 119.536 119.536 119.682 -0.146 25536 3904 1 8 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.322 0.004 25536 3905 1 8 . 1 1 100 100 ASP C C 100 177.737 177.737 178.152 -0.415 25536 3906 1 8 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.404 0.471 25536 3907 1 8 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.846 0.295 25536 3908 1 8 . 1 1 100 100 ASP H H 100 8.292 8.292 8.341 -0.049 25536 3909 1 8 . 1 1 101 101 MET N N 101 118.757 118.757 117.730 1.027 25536 3910 1 8 . 1 1 101 101 MET HA H 101 3.964 3.964 4.240 -0.276 25536 3911 1 8 . 1 1 101 101 MET C C 101 180.006 180.006 177.822 2.184 25536 3912 1 8 . 1 1 101 101 MET CA C 101 59.710 59.710 57.882 1.829 25536 3913 1 8 . 1 1 101 101 MET CB C 101 31.642 31.642 31.974 -0.332 25536 3914 1 8 . 1 1 101 101 MET H H 101 7.226 7.226 7.693 -0.467 25536 3915 1 8 . 1 1 102 102 LEU N N 102 121.624 121.624 121.267 0.357 25536 3916 1 8 . 1 1 102 102 LEU HA H 102 3.696 3.696 3.873 -0.177 25536 3917 1 8 . 1 1 102 102 LEU C C 102 178.566 178.566 179.057 -0.491 25536 3918 1 8 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.705 1.222 25536 3919 1 8 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.035 0.450 25536 3920 1 8 . 1 1 102 102 LEU H H 102 8.472 8.472 7.828 0.644 25536 3921 1 8 . 1 1 103 103 ARG N N 103 117.111 117.111 118.647 -1.536 25536 3922 1 8 . 1 1 103 103 ARG HA H 103 3.970 3.970 3.970 0.000 25536 3923 1 8 . 1 1 103 103 ARG C C 103 178.818 178.818 178.522 0.296 25536 3924 1 8 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.609 -0.106 25536 3925 1 8 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.296 -0.001 25536 3926 1 8 . 1 1 103 103 ARG H H 103 7.932 7.932 8.320 -0.388 25536 3927 1 8 . 1 1 104 104 LYS N N 104 114.172 114.172 113.727 0.445 25536 3928 1 8 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.326 -0.104 25536 3929 1 8 . 1 1 104 104 LYS C C 104 177.556 177.556 177.225 0.331 25536 3930 1 8 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.857 1.103 25536 3931 1 8 . 1 1 104 104 LYS CB C 104 34.227 34.227 31.798 2.429 25536 3932 1 8 . 1 1 104 104 LYS H H 104 7.157 7.157 7.616 -0.459 25536 3933 1 8 . 1 1 105 105 ASN N N 105 114.145 114.145 117.708 -3.563 25536 3934 1 8 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.667 0.064 25536 3935 1 8 . 1 1 105 105 ASN C C 105 172.822 172.822 175.683 -2.861 25536 3936 1 8 . 1 1 105 105 ASN CA C 105 54.843 54.843 55.266 -0.423 25536 3937 1 8 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.657 1.988 25536 3938 1 8 . 1 1 105 105 ASN H H 105 7.665 7.665 7.848 -0.183 25536 3939 1 8 . 1 1 106 106 LEU N N 106 118.600 118.600 115.410 3.190 25536 3940 1 8 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.814 -0.143 25536 3941 1 8 . 1 1 106 106 LEU C C 106 175.658 175.658 175.994 -0.336 25536 3942 1 8 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.165 -0.007 25536 3943 1 8 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.577 -1.012 25536 3944 1 8 . 1 1 106 106 LEU H H 106 7.439 7.439 8.057 -0.618 25536 3945 1 8 . 1 1 107 107 VAL N N 107 122.739 122.739 120.339 2.400 25536 3946 1 8 . 1 1 107 107 VAL HA H 107 4.208 4.208 3.869 0.339 25536 3947 1 8 . 1 1 107 107 VAL C C 107 176.054 176.054 176.900 -0.846 25536 3948 1 8 . 1 1 107 107 VAL CA C 107 62.216 62.216 63.357 -1.141 25536 3949 1 8 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.148 1.431 25536 3950 1 8 . 1 1 107 107 VAL H H 107 8.182 8.182 8.637 -0.455 25536 3951 1 8 . 1 1 108 108 THR N N 108 120.854 120.854 113.553 7.301 25536 3952 1 8 . 1 1 108 108 THR HA H 108 4.336 4.336 3.904 0.432 25536 3953 1 8 . 1 1 108 108 THR C C 108 174.216 174.216 175.205 -0.989 25536 3954 1 8 . 1 1 108 108 THR CA C 108 62.726 62.726 64.486 -1.759 25536 3955 1 8 . 1 1 108 108 THR CB C 108 70.080 70.080 68.674 1.406 25536 3956 1 8 . 1 1 108 108 THR H H 108 8.524 8.524 7.666 0.858 25536 3957 1 8 . 1 1 109 109 LEU N N 109 125.529 125.529 124.644 0.885 25536 3958 1 8 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.276 0.076 25536 3959 1 8 . 1 1 109 109 LEU C C 109 176.523 176.523 176.684 -0.161 25536 3960 1 8 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.570 -0.523 25536 3961 1 8 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.113 0.477 25536 3962 1 8 . 1 1 109 109 LEU H H 109 8.313 8.313 8.530 -0.217 25536 3963 1 8 . 1 1 110 110 ALA N N 110 125.099 125.099 121.763 3.336 25536 3964 1 8 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.270 0.096 25536 3965 1 8 . 1 1 110 110 ALA C C 110 176.847 176.847 176.141 0.706 25536 3966 1 8 . 1 1 110 110 ALA CA C 110 52.628 52.628 53.072 -0.444 25536 3967 1 8 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.238 0.469 25536 3968 1 8 . 1 1 110 110 ALA H H 110 8.257 8.257 7.539 0.718 25536 3969 1 9 . 1 1 24 24 ILE N N 24 120.668 120.668 120.833 -0.165 25536 3970 1 9 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.951 0.196 25536 3971 1 9 . 1 1 24 24 ILE C C 24 175.650 175.650 175.922 -0.272 25536 3972 1 9 . 1 1 24 24 ILE CA C 24 61.342 61.342 62.836 -1.494 25536 3973 1 9 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.099 0.968 25536 3974 1 9 . 1 1 24 24 ILE H H 24 8.119 8.119 8.420 -0.301 25536 3975 1 9 . 1 1 25 25 ASN N N 25 122.032 122.032 118.052 3.980 25536 3976 1 9 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.499 0.205 25536 3977 1 9 . 1 1 25 25 ASN C C 25 174.775 174.775 174.291 0.484 25536 3978 1 9 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.691 0.039 25536 3979 1 9 . 1 1 25 25 ASN CB C 25 39.406 39.406 38.017 1.389 25536 3980 1 9 . 1 1 25 25 ASN H H 25 8.446 8.446 8.420 0.026 25536 3981 1 9 . 1 1 26 26 GLN N N 26 118.655 118.655 117.623 1.032 25536 3982 1 9 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.787 -0.200 25536 3983 1 9 . 1 1 26 26 GLN C C 26 175.291 175.291 174.228 1.063 25536 3984 1 9 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.677 1.025 25536 3985 1 9 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.104 0.154 25536 3986 1 9 . 1 1 26 26 GLN H H 26 8.215 8.215 7.704 0.511 25536 3987 1 9 . 1 1 27 27 VAL N N 27 113.749 113.749 120.732 -6.983 25536 3988 1 9 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.341 0.526 25536 3989 1 9 . 1 1 27 27 VAL C C 27 173.900 173.900 174.744 -0.844 25536 3990 1 9 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.705 -1.589 25536 3991 1 9 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.968 2.136 25536 3992 1 9 . 1 1 27 27 VAL H H 27 9.417 9.417 8.546 0.871 25536 3993 1 9 . 1 1 28 28 ARG N N 28 121.515 121.515 123.774 -2.259 25536 3994 1 9 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.228 0.229 25536 3995 1 9 . 1 1 28 28 ARG C C 28 175.090 175.090 174.993 0.097 25536 3996 1 9 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.432 -0.861 25536 3997 1 9 . 1 1 28 28 ARG CB C 28 33.674 33.674 29.925 3.749 25536 3998 1 9 . 1 1 28 28 ARG H H 28 8.901 8.901 8.439 0.462 25536 3999 1 9 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.463 0.532 25536 4000 1 9 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.178 -0.126 25536 4001 1 9 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.611 -0.350 25536 4002 1 9 . 1 1 30 30 LYS N N 30 121.291 121.291 118.871 2.420 25536 4003 1 9 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.215 -0.014 25536 4004 1 9 . 1 1 30 30 LYS C C 30 177.557 177.557 178.481 -0.924 25536 4005 1 9 . 1 1 30 30 LYS CA C 30 57.722 57.722 55.986 1.736 25536 4006 1 9 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.043 0.952 25536 4007 1 9 . 1 1 30 30 LYS H H 30 8.476 8.476 8.581 -0.105 25536 4008 1 9 . 1 1 31 31 LEU N N 31 121.578 121.578 125.077 -3.499 25536 4009 1 9 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.188 -0.133 25536 4010 1 9 . 1 1 31 31 LEU C C 31 174.261 174.261 175.916 -1.655 25536 4011 1 9 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.727 0.469 25536 4012 1 9 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.830 0.020 25536 4013 1 9 . 1 1 31 31 LEU H H 31 8.584 8.584 8.905 -0.321 25536 4014 1 9 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.281 -0.148 25536 4015 1 9 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.338 1.240 25536 4016 1 9 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.212 0.265 25536 4017 1 9 . 1 1 33 33 LEU N N 33 113.190 113.190 118.191 -5.001 25536 4018 1 9 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.185 -0.210 25536 4019 1 9 . 1 1 33 33 LEU C C 33 177.726 177.726 179.264 -1.538 25536 4020 1 9 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.704 -0.564 25536 4021 1 9 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.020 0.827 25536 4022 1 9 . 1 1 33 33 LEU H H 33 6.605 6.605 7.543 -0.938 25536 4023 1 9 . 1 1 34 34 LEU N N 34 121.683 121.683 121.180 0.503 25536 4024 1 9 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.870 -0.488 25536 4025 1 9 . 1 1 34 34 LEU C C 34 177.321 177.321 178.103 -0.782 25536 4026 1 9 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.601 0.636 25536 4027 1 9 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.342 0.569 25536 4028 1 9 . 1 1 34 34 LEU H H 34 8.399 8.399 8.858 -0.459 25536 4029 1 9 . 1 1 35 35 LYS N N 35 114.524 114.524 119.252 -4.728 25536 4030 1 9 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.976 -0.183 25536 4031 1 9 . 1 1 35 35 LYS C C 35 180.207 180.207 178.746 1.461 25536 4032 1 9 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.456 0.615 25536 4033 1 9 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.790 0.679 25536 4034 1 9 . 1 1 35 35 LYS H H 35 7.940 7.940 8.102 -0.162 25536 4035 1 9 . 1 1 36 36 ILE N N 36 119.857 119.857 119.074 0.783 25536 4036 1 9 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.645 -0.341 25536 4037 1 9 . 1 1 36 36 ILE C C 36 176.418 176.418 177.718 -1.300 25536 4038 1 9 . 1 1 36 36 ILE CA C 36 64.480 64.480 63.167 1.313 25536 4039 1 9 . 1 1 36 36 ILE CB C 36 37.604 37.604 36.736 0.868 25536 4040 1 9 . 1 1 36 36 ILE H H 36 6.742 6.742 7.581 -0.839 25536 4041 1 9 . 1 1 37 37 LEU N N 37 116.695 116.695 119.880 -3.185 25536 4042 1 9 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.907 -0.385 25536 4043 1 9 . 1 1 37 37 LEU C C 37 180.263 180.263 179.551 0.712 25536 4044 1 9 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.419 -0.139 25536 4045 1 9 . 1 1 37 37 LEU CB C 37 39.138 39.138 41.216 -2.078 25536 4046 1 9 . 1 1 37 37 LEU H H 37 7.595 7.595 7.514 0.081 25536 4047 1 9 . 1 1 38 38 HIS N N 38 117.829 117.829 117.072 0.757 25536 4048 1 9 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.213 0.469 25536 4049 1 9 . 1 1 38 38 HIS C C 38 180.133 180.133 178.099 2.034 25536 4050 1 9 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.366 -1.075 25536 4051 1 9 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.195 1.216 25536 4052 1 9 . 1 1 38 38 HIS H H 38 8.955 8.955 8.657 0.298 25536 4053 1 9 . 1 1 39 39 ALA N N 39 124.006 124.006 121.939 2.067 25536 4054 1 9 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.243 0.003 25536 4055 1 9 . 1 1 39 39 ALA C C 39 178.835 178.835 178.495 0.340 25536 4056 1 9 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.502 0.583 25536 4057 1 9 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.478 -0.367 25536 4058 1 9 . 1 1 39 39 ALA H H 39 7.945 7.945 8.249 -0.304 25536 4059 1 9 . 1 1 40 40 ALA N N 40 118.201 118.201 119.416 -1.215 25536 4060 1 9 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.396 0.025 25536 4061 1 9 . 1 1 40 40 ALA C C 40 176.261 176.261 177.952 -1.691 25536 4062 1 9 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.403 -0.267 25536 4063 1 9 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.377 0.735 25536 4064 1 9 . 1 1 40 40 ALA H H 40 7.665 7.665 7.556 0.109 25536 4065 1 9 . 1 1 41 41 GLY N N 41 103.920 103.920 107.684 -3.764 25536 4066 1 9 . 1 1 41 41 GLY C C 41 174.412 174.412 173.824 0.588 25536 4067 1 9 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.805 0.162 25536 4068 1 9 . 1 1 41 41 GLY H H 41 7.683 7.683 7.755 -0.072 25536 4069 1 9 . 1 1 42 42 ALA N N 42 123.582 123.582 121.686 1.896 25536 4070 1 9 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.485 0.150 25536 4071 1 9 . 1 1 42 42 ALA C C 42 175.772 175.772 176.979 -1.207 25536 4072 1 9 . 1 1 42 42 ALA CA C 42 52.680 52.680 50.962 1.718 25536 4073 1 9 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.538 -0.182 25536 4074 1 9 . 1 1 42 42 ALA H H 42 7.578 7.578 7.772 -0.194 25536 4075 1 9 . 1 1 43 43 GLN N N 43 116.996 116.996 120.492 -3.496 25536 4076 1 9 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.436 -0.087 25536 4077 1 9 . 1 1 43 43 GLN C C 43 175.528 175.528 175.610 -0.082 25536 4078 1 9 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.344 -0.693 25536 4079 1 9 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.024 3.389 25536 4080 1 9 . 1 1 43 43 GLN H H 43 8.481 8.481 8.620 -0.139 25536 4081 1 9 . 1 1 44 44 GLY N N 44 108.128 108.128 107.960 0.168 25536 4082 1 9 . 1 1 44 44 GLY C C 44 173.892 173.892 172.886 1.006 25536 4083 1 9 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.546 -0.848 25536 4084 1 9 . 1 1 44 44 GLY H H 44 8.510 8.510 7.641 0.869 25536 4085 1 9 . 1 1 45 45 GLU N N 45 114.113 114.113 118.782 -4.669 25536 4086 1 9 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.354 0.254 25536 4087 1 9 . 1 1 45 45 GLU C C 45 174.007 174.007 174.890 -0.883 25536 4088 1 9 . 1 1 45 45 GLU CA C 45 56.829 56.829 56.174 0.655 25536 4089 1 9 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.107 1.944 25536 4090 1 9 . 1 1 45 45 GLU H H 45 8.245 8.245 8.274 -0.029 25536 4091 1 9 . 1 1 46 46 MET N N 46 115.322 115.322 117.580 -2.258 25536 4092 1 9 . 1 1 46 46 MET HA H 46 5.051 5.051 4.289 0.762 25536 4093 1 9 . 1 1 46 46 MET C C 46 174.637 174.637 174.402 0.235 25536 4094 1 9 . 1 1 46 46 MET CA C 46 54.264 54.264 54.260 0.004 25536 4095 1 9 . 1 1 46 46 MET CB C 46 35.854 35.854 33.394 2.460 25536 4096 1 9 . 1 1 46 46 MET H H 46 6.872 6.872 7.224 -0.352 25536 4097 1 9 . 1 1 47 47 PHE N N 47 119.008 119.008 119.816 -0.808 25536 4098 1 9 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.098 -0.004 25536 4099 1 9 . 1 1 47 47 PHE C C 47 175.742 175.742 175.037 0.705 25536 4100 1 9 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.443 1.895 25536 4101 1 9 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.332 5.580 25536 4102 1 9 . 1 1 47 47 PHE H H 47 8.623 8.623 8.966 -0.343 25536 4103 1 9 . 1 1 48 48 THR N N 48 110.544 110.544 111.882 -1.338 25536 4104 1 9 . 1 1 48 48 THR HA H 48 4.990 4.990 4.603 0.387 25536 4105 1 9 . 1 1 48 48 THR C C 48 176.666 176.666 176.162 0.504 25536 4106 1 9 . 1 1 48 48 THR CA C 48 61.095 61.095 60.362 0.733 25536 4107 1 9 . 1 1 48 48 THR CB C 48 71.136 71.136 70.310 0.826 25536 4108 1 9 . 1 1 48 48 THR H H 48 9.108 9.108 9.341 -0.233 25536 4109 1 9 . 1 1 49 49 VAL N N 49 121.588 121.588 122.057 -0.469 25536 4110 1 9 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.579 -0.198 25536 4111 1 9 . 1 1 49 49 VAL C C 49 177.726 177.726 177.496 0.230 25536 4112 1 9 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.511 0.730 25536 4113 1 9 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.365 0.190 25536 4114 1 9 . 1 1 49 49 VAL H H 49 9.044 9.044 9.021 0.023 25536 4115 1 9 . 1 1 50 50 LYS N N 50 118.341 118.341 117.113 1.228 25536 4116 1 9 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.023 -0.064 25536 4117 1 9 . 1 1 50 50 LYS C C 50 180.060 180.060 178.395 1.665 25536 4118 1 9 . 1 1 50 50 LYS CA C 50 60.356 60.356 58.916 1.440 25536 4119 1 9 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.683 1.156 25536 4120 1 9 . 1 1 50 50 LYS H H 50 8.132 8.132 8.323 -0.191 25536 4121 1 9 . 1 1 51 51 GLU N N 51 119.521 119.521 120.506 -0.985 25536 4122 1 9 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.923 0.123 25536 4123 1 9 . 1 1 51 51 GLU C C 51 178.583 178.583 178.432 0.151 25536 4124 1 9 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.044 0.859 25536 4125 1 9 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.008 1.448 25536 4126 1 9 . 1 1 51 51 GLU H H 51 7.877 7.877 7.451 0.426 25536 4127 1 9 . 1 1 52 52 VAL N N 52 119.044 119.044 118.203 0.841 25536 4128 1 9 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.504 -0.254 25536 4129 1 9 . 1 1 52 52 VAL C C 52 177.546 177.546 177.955 -0.409 25536 4130 1 9 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.891 2.010 25536 4131 1 9 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.552 -0.175 25536 4132 1 9 . 1 1 52 52 VAL H H 52 8.245 8.245 8.409 -0.164 25536 4133 1 9 . 1 1 53 53 MET N N 53 114.669 114.669 116.692 -2.023 25536 4134 1 9 . 1 1 53 53 MET HA H 53 4.198 4.198 4.204 -0.006 25536 4135 1 9 . 1 1 53 53 MET C C 53 178.699 178.699 177.610 1.089 25536 4136 1 9 . 1 1 53 53 MET CA C 53 57.748 57.748 57.821 -0.073 25536 4137 1 9 . 1 1 53 53 MET CB C 53 32.680 32.680 31.524 1.156 25536 4138 1 9 . 1 1 53 53 MET H H 53 8.188 8.188 8.160 0.028 25536 4139 1 9 . 1 1 54 54 HIS N N 54 118.909 118.909 120.610 -1.701 25536 4140 1 9 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.155 -0.038 25536 4141 1 9 . 1 1 54 54 HIS C C 54 178.675 178.675 177.005 1.670 25536 4142 1 9 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.507 -0.235 25536 4143 1 9 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.689 0.908 25536 4144 1 9 . 1 1 54 54 HIS H H 54 8.091 8.091 7.407 0.684 25536 4145 1 9 . 1 1 55 55 TYR N N 55 116.769 116.769 116.844 -0.075 25536 4146 1 9 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.229 -0.377 25536 4147 1 9 . 1 1 55 55 TYR C C 55 177.794 177.794 177.952 -0.158 25536 4148 1 9 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.823 2.894 25536 4149 1 9 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.158 1.971 25536 4150 1 9 . 1 1 55 55 TYR H H 55 8.468 8.468 7.404 1.064 25536 4151 1 9 . 1 1 56 56 LEU N N 56 120.819 120.819 120.424 0.395 25536 4152 1 9 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.940 -0.131 25536 4153 1 9 . 1 1 56 56 LEU C C 56 178.484 178.484 179.098 -0.614 25536 4154 1 9 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.564 1.058 25536 4155 1 9 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.157 1.425 25536 4156 1 9 . 1 1 56 56 LEU H H 56 8.455 8.455 7.382 1.073 25536 4157 1 9 . 1 1 57 57 GLY N N 57 104.896 104.896 106.934 -2.038 25536 4158 1 9 . 1 1 57 57 GLY C C 57 175.647 175.647 175.772 -0.125 25536 4159 1 9 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.249 -0.010 25536 4160 1 9 . 1 1 57 57 GLY H H 57 7.691 7.691 8.065 -0.374 25536 4161 1 9 . 1 1 58 58 GLN N N 58 119.080 119.080 121.904 -2.824 25536 4162 1 9 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.973 -0.161 25536 4163 1 9 . 1 1 58 58 GLN C C 58 177.429 177.429 177.739 -0.310 25536 4164 1 9 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.531 0.147 25536 4165 1 9 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.369 0.506 25536 4166 1 9 . 1 1 58 58 GLN H H 58 7.704 7.704 8.143 -0.439 25536 4167 1 9 . 1 1 59 59 TYR N N 59 120.995 120.995 122.211 -1.216 25536 4168 1 9 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.213 -0.409 25536 4169 1 9 . 1 1 59 59 TYR C C 59 176.215 176.215 177.470 -1.255 25536 4170 1 9 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.186 0.379 25536 4171 1 9 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.718 -0.099 25536 4172 1 9 . 1 1 59 59 TYR H H 59 8.500 8.500 8.043 0.457 25536 4173 1 9 . 1 1 60 60 ILE N N 60 116.532 116.532 119.577 -3.045 25536 4174 1 9 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.605 -0.302 25536 4175 1 9 . 1 1 60 60 ILE C C 60 177.952 177.952 178.095 -0.143 25536 4176 1 9 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.338 0.209 25536 4177 1 9 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.997 0.434 25536 4178 1 9 . 1 1 60 60 ILE H H 60 7.585 7.585 8.643 -1.058 25536 4179 1 9 . 1 1 61 61 MET N N 61 115.556 115.556 119.277 -3.721 25536 4180 1 9 . 1 1 61 61 MET HA H 61 4.547 4.547 4.323 0.224 25536 4181 1 9 . 1 1 61 61 MET C C 61 180.579 180.579 178.315 2.264 25536 4182 1 9 . 1 1 61 61 MET CA C 61 57.563 57.563 58.274 -0.711 25536 4183 1 9 . 1 1 61 61 MET CB C 61 31.473 31.473 32.184 -0.711 25536 4184 1 9 . 1 1 61 61 MET H H 61 7.707 7.707 8.188 -0.481 25536 4185 1 9 . 1 1 62 62 VAL N N 62 120.872 120.872 118.382 2.490 25536 4186 1 9 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.731 0.097 25536 4187 1 9 . 1 1 62 62 VAL C C 62 178.786 178.786 177.494 1.292 25536 4188 1 9 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.630 1.482 25536 4189 1 9 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.032 -0.041 25536 4190 1 9 . 1 1 62 62 VAL H H 62 9.009 9.009 8.303 0.706 25536 4191 1 9 . 1 1 63 63 LYS N N 63 116.652 116.652 117.794 -1.142 25536 4192 1 9 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.110 -0.053 25536 4193 1 9 . 1 1 63 63 LYS C C 63 174.784 174.784 175.739 -0.955 25536 4194 1 9 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.431 0.652 25536 4195 1 9 . 1 1 63 63 LYS CB C 63 31.461 31.461 31.956 -0.495 25536 4196 1 9 . 1 1 63 63 LYS H H 63 7.812 7.812 7.994 -0.182 25536 4197 1 9 . 1 1 64 64 GLN N N 64 115.445 115.445 114.418 1.027 25536 4198 1 9 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.395 0.211 25536 4199 1 9 . 1 1 64 64 GLN C C 64 175.550 175.550 174.990 0.560 25536 4200 1 9 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.490 0.489 25536 4201 1 9 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.227 1.021 25536 4202 1 9 . 1 1 64 64 GLN H H 64 7.642 7.642 7.937 -0.295 25536 4203 1 9 . 1 1 65 65 LEU N N 65 115.724 115.724 117.721 -1.997 25536 4204 1 9 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.343 0.114 25536 4205 1 9 . 1 1 65 65 LEU C C 65 175.979 175.979 175.475 0.504 25536 4206 1 9 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.012 0.642 25536 4207 1 9 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.692 0.258 25536 4208 1 9 . 1 1 65 65 LEU H H 65 8.097 8.097 7.092 1.005 25536 4209 1 9 . 1 1 66 66 TYR N N 66 112.953 112.953 114.896 -1.943 25536 4210 1 9 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.198 0.094 25536 4211 1 9 . 1 1 66 66 TYR C C 66 173.941 173.941 174.850 -0.909 25536 4212 1 9 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.373 1.256 25536 4213 1 9 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.321 -0.573 25536 4214 1 9 . 1 1 66 66 TYR H H 66 6.856 6.856 6.707 0.149 25536 4215 1 9 . 1 1 67 67 ASP N N 67 122.196 122.196 120.583 1.613 25536 4216 1 9 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.919 -0.481 25536 4217 1 9 . 1 1 67 67 ASP C C 67 176.779 176.779 177.437 -0.658 25536 4218 1 9 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.682 0.298 25536 4219 1 9 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.527 0.005 25536 4220 1 9 . 1 1 67 67 ASP H H 67 8.324 8.324 8.504 -0.180 25536 4221 1 9 . 1 1 68 68 GLN N N 68 123.042 123.042 122.213 0.829 25536 4222 1 9 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.234 -0.348 25536 4223 1 9 . 1 1 68 68 GLN C C 68 177.122 177.122 177.400 -0.278 25536 4224 1 9 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.877 0.154 25536 4225 1 9 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.933 0.153 25536 4226 1 9 . 1 1 68 68 GLN H H 68 8.563 8.563 8.772 -0.209 25536 4227 1 9 . 1 1 69 69 GLN N N 69 115.263 115.263 118.829 -3.566 25536 4228 1 9 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.188 0.169 25536 4229 1 9 . 1 1 69 69 GLN C C 69 176.272 176.272 175.924 0.348 25536 4230 1 9 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.695 -0.566 25536 4231 1 9 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.557 0.567 25536 4232 1 9 . 1 1 69 69 GLN H H 69 8.356 8.356 7.865 0.491 25536 4233 1 9 . 1 1 70 70 GLU N N 70 122.549 122.549 117.671 4.878 25536 4234 1 9 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.529 -0.010 25536 4235 1 9 . 1 1 70 70 GLU C C 70 175.953 175.953 175.928 0.025 25536 4236 1 9 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.802 -0.845 25536 4237 1 9 . 1 1 70 70 GLU CB C 70 29.560 29.560 30.474 -0.914 25536 4238 1 9 . 1 1 70 70 GLU H H 70 8.227 8.227 8.075 0.152 25536 4239 1 9 . 1 1 71 71 GLN N N 71 118.815 118.815 123.578 -4.763 25536 4240 1 9 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.012 0.540 25536 4241 1 9 . 1 1 71 71 GLN C C 71 174.842 174.842 176.415 -1.573 25536 4242 1 9 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.050 1.647 25536 4243 1 9 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.004 -0.074 25536 4244 1 9 . 1 1 71 71 GLN H H 71 8.253 8.253 8.822 -0.569 25536 4245 1 9 . 1 1 72 72 HIS N N 72 111.141 111.141 115.290 -4.149 25536 4246 1 9 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.227 -0.054 25536 4247 1 9 . 1 1 72 72 HIS C C 72 173.749 173.749 175.807 -2.058 25536 4248 1 9 . 1 1 72 72 HIS CA C 72 56.259 56.259 57.538 -1.279 25536 4249 1 9 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.293 1.779 25536 4250 1 9 . 1 1 72 72 HIS H H 72 7.412 7.412 8.214 -0.802 25536 4251 1 9 . 1 1 73 73 MET N N 73 119.350 119.350 120.952 -1.602 25536 4252 1 9 . 1 1 73 73 MET HA H 73 4.584 4.584 4.472 0.112 25536 4253 1 9 . 1 1 73 73 MET C C 73 174.311 174.311 174.406 -0.095 25536 4254 1 9 . 1 1 73 73 MET CA C 73 53.186 53.186 54.093 -0.907 25536 4255 1 9 . 1 1 73 73 MET CB C 73 31.731 31.731 32.640 -0.909 25536 4256 1 9 . 1 1 73 73 MET H H 73 7.766 7.766 7.764 0.002 25536 4257 1 9 . 1 1 74 74 VAL N N 74 122.542 122.542 128.112 -5.570 25536 4258 1 9 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.233 -0.285 25536 4259 1 9 . 1 1 74 74 VAL C C 74 174.756 174.756 174.189 0.567 25536 4260 1 9 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.878 0.744 25536 4261 1 9 . 1 1 74 74 VAL CB C 74 32.814 32.814 31.818 0.996 25536 4262 1 9 . 1 1 74 74 VAL H H 74 8.456 8.456 8.419 0.037 25536 4263 1 9 . 1 1 75 75 TYR N N 75 125.680 125.680 126.996 -1.316 25536 4264 1 9 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.160 -0.401 25536 4265 1 9 . 1 1 75 75 TYR C C 75 174.923 174.923 175.623 -0.700 25536 4266 1 9 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.744 1.068 25536 4267 1 9 . 1 1 75 75 TYR CB C 75 38.849 38.849 37.331 1.518 25536 4268 1 9 . 1 1 75 75 TYR H H 75 8.213 8.213 8.817 -0.604 25536 4269 1 9 . 1 1 76 76 CYS N N 76 116.702 116.702 119.996 -3.294 25536 4270 1 9 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.198 0.541 25536 4271 1 9 . 1 1 76 76 CYS C C 76 174.231 174.231 176.029 -1.798 25536 4272 1 9 . 1 1 76 76 CYS CA C 76 56.103 56.103 61.582 -5.479 25536 4273 1 9 . 1 1 76 76 CYS CB C 76 29.697 29.697 28.490 1.207 25536 4274 1 9 . 1 1 76 76 CYS H H 76 8.307 8.307 8.865 -0.558 25536 4275 1 9 . 1 1 77 77 GLY N N 77 111.569 111.569 108.228 3.341 25536 4276 1 9 . 1 1 77 77 GLY C C 77 174.662 174.662 175.320 -0.658 25536 4277 1 9 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.520 0.629 25536 4278 1 9 . 1 1 77 77 GLY H H 77 8.484 8.484 7.503 0.981 25536 4279 1 9 . 1 1 78 78 GLY N N 78 113.022 113.022 110.866 2.156 25536 4280 1 9 . 1 1 78 78 GLY C C 78 172.811 172.811 174.292 -1.481 25536 4281 1 9 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.206 1.554 25536 4282 1 9 . 1 1 78 78 GLY H H 78 8.889 8.889 8.560 0.329 25536 4283 1 9 . 1 1 79 79 ASP N N 79 119.431 119.431 120.911 -1.480 25536 4284 1 9 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.555 0.333 25536 4285 1 9 . 1 1 79 79 ASP C C 79 176.302 176.302 177.176 -0.874 25536 4286 1 9 . 1 1 79 79 ASP CA C 79 53.093 53.093 54.748 -1.655 25536 4287 1 9 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.956 4.308 25536 4288 1 9 . 1 1 79 79 ASP H H 79 7.789 7.789 7.754 0.035 25536 4289 1 9 . 1 1 80 80 LEU N N 80 128.421 128.421 124.279 4.142 25536 4290 1 9 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.036 0.028 25536 4291 1 9 . 1 1 80 80 LEU C C 80 179.059 179.059 178.255 0.804 25536 4292 1 9 . 1 1 80 80 LEU CA C 80 58.803 58.803 58.289 0.514 25536 4293 1 9 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.208 0.195 25536 4294 1 9 . 1 1 80 80 LEU H H 80 8.549 8.549 8.937 -0.388 25536 4295 1 9 . 1 1 81 81 LEU N N 81 118.633 118.633 120.075 -1.442 25536 4296 1 9 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.816 0.051 25536 4297 1 9 . 1 1 81 81 LEU C C 81 178.542 178.542 178.342 0.200 25536 4298 1 9 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.502 0.270 25536 4299 1 9 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.242 1.407 25536 4300 1 9 . 1 1 81 81 LEU H H 81 9.973 9.973 8.623 1.350 25536 4301 1 9 . 1 1 82 82 GLY N N 82 105.564 105.564 104.557 1.007 25536 4302 1 9 . 1 1 82 82 GLY C C 82 176.907 176.907 175.882 1.025 25536 4303 1 9 . 1 1 82 82 GLY CA C 82 48.063 48.063 46.922 1.141 25536 4304 1 9 . 1 1 82 82 GLY H H 82 7.559 7.559 7.637 -0.078 25536 4305 1 9 . 1 1 83 83 GLU N N 83 121.706 121.706 122.267 -0.561 25536 4306 1 9 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.114 -0.132 25536 4307 1 9 . 1 1 83 83 GLU C C 83 179.215 179.215 177.879 1.336 25536 4308 1 9 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.645 0.516 25536 4309 1 9 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.230 0.263 25536 4310 1 9 . 1 1 83 83 GLU H H 83 7.536 7.536 7.932 -0.396 25536 4311 1 9 . 1 1 84 84 LEU N N 84 118.455 118.455 119.596 -1.141 25536 4312 1 9 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.066 -0.042 25536 4313 1 9 . 1 1 84 84 LEU C C 84 178.842 178.842 178.388 0.454 25536 4314 1 9 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.503 -0.028 25536 4315 1 9 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.275 0.212 25536 4316 1 9 . 1 1 84 84 LEU H H 84 7.701 7.701 7.870 -0.169 25536 4317 1 9 . 1 1 85 85 LEU N N 85 115.271 115.271 115.993 -0.722 25536 4318 1 9 . 1 1 85 85 LEU HA H 85 3.776 3.776 4.274 -0.498 25536 4319 1 9 . 1 1 85 85 LEU C C 85 177.773 177.773 177.512 0.261 25536 4320 1 9 . 1 1 85 85 LEU CA C 85 56.375 56.375 55.307 1.068 25536 4321 1 9 . 1 1 85 85 LEU CB C 85 43.893 43.893 43.016 0.877 25536 4322 1 9 . 1 1 85 85 LEU H H 85 8.117 8.117 7.934 0.183 25536 4323 1 9 . 1 1 86 86 GLY N N 86 107.216 107.216 106.352 0.864 25536 4324 1 9 . 1 1 86 86 GLY C C 86 174.090 174.090 173.866 0.224 25536 4325 1 9 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.445 0.870 25536 4326 1 9 . 1 1 86 86 GLY H H 86 7.983 7.983 7.925 0.058 25536 4327 1 9 . 1 1 87 87 ARG N N 87 113.296 113.296 118.169 -4.873 25536 4328 1 9 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.700 -0.046 25536 4329 1 9 . 1 1 87 87 ARG C C 87 174.720 174.720 175.033 -0.313 25536 4330 1 9 . 1 1 87 87 ARG CA C 87 54.279 54.279 54.911 -0.632 25536 4331 1 9 . 1 1 87 87 ARG CB C 87 34.395 34.395 32.796 1.599 25536 4332 1 9 . 1 1 87 87 ARG H H 87 7.411 7.411 7.455 -0.044 25536 4333 1 9 . 1 1 88 88 GLN N N 88 115.575 115.575 120.242 -4.667 25536 4334 1 9 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.326 -0.273 25536 4335 1 9 . 1 1 88 88 GLN C C 88 175.946 175.946 175.611 0.335 25536 4336 1 9 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.494 -0.082 25536 4337 1 9 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.615 0.175 25536 4338 1 9 . 1 1 88 88 GLN H H 88 8.653 8.653 8.740 -0.087 25536 4339 1 9 . 1 1 89 89 SER N N 89 110.451 110.451 110.547 -0.096 25536 4340 1 9 . 1 1 89 89 SER HA H 89 5.428 5.428 5.511 -0.083 25536 4341 1 9 . 1 1 89 89 SER C C 89 173.062 173.062 172.807 0.255 25536 4342 1 9 . 1 1 89 89 SER CA C 89 57.011 57.011 56.718 0.293 25536 4343 1 9 . 1 1 89 89 SER CB C 89 66.560 66.560 66.113 0.447 25536 4344 1 9 . 1 1 89 89 SER H H 89 7.625 7.625 7.727 -0.102 25536 4345 1 9 . 1 1 90 90 PHE N N 90 115.159 115.159 115.949 -0.790 25536 4346 1 9 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.989 -0.304 25536 4347 1 9 . 1 1 90 90 PHE C C 90 170.337 170.337 172.831 -2.494 25536 4348 1 9 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.324 -0.126 25536 4349 1 9 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.806 -0.395 25536 4350 1 9 . 1 1 90 90 PHE H H 90 8.549 8.549 7.854 0.695 25536 4351 1 9 . 1 1 91 91 SER N N 91 113.637 113.637 113.664 -0.027 25536 4352 1 9 . 1 1 91 91 SER HA H 91 5.350 5.350 5.272 0.078 25536 4353 1 9 . 1 1 91 91 SER C C 91 178.100 178.100 176.108 1.992 25536 4354 1 9 . 1 1 91 91 SER CA C 91 54.748 54.748 55.855 -1.107 25536 4355 1 9 . 1 1 91 91 SER CB C 91 65.325 65.325 67.022 -1.697 25536 4356 1 9 . 1 1 91 91 SER H H 91 9.010 9.010 8.336 0.674 25536 4357 1 9 . 1 1 92 92 VAL N N 92 120.560 120.560 121.738 -1.178 25536 4358 1 9 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.783 0.125 25536 4359 1 9 . 1 1 92 92 VAL C C 92 175.704 175.704 176.926 -1.222 25536 4360 1 9 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.870 -1.870 25536 4361 1 9 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.774 -0.974 25536 4362 1 9 . 1 1 92 92 VAL H H 92 8.948 8.948 8.676 0.272 25536 4363 1 9 . 1 1 93 93 LYS N N 93 116.481 116.481 118.327 -1.846 25536 4364 1 9 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.255 -0.308 25536 4365 1 9 . 1 1 93 93 LYS C C 93 177.088 177.088 175.938 1.150 25536 4366 1 9 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.917 0.782 25536 4367 1 9 . 1 1 93 93 LYS CB C 93 32.258 32.258 32.768 -0.510 25536 4368 1 9 . 1 1 93 93 LYS H H 93 8.086 8.086 7.829 0.257 25536 4369 1 9 . 1 1 94 94 ASP N N 94 114.885 114.885 119.099 -4.214 25536 4370 1 9 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.026 -0.084 25536 4371 1 9 . 1 1 94 94 ASP C C 94 173.021 173.021 174.978 -1.957 25536 4372 1 9 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.227 0.362 25536 4373 1 9 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.914 -0.469 25536 4374 1 9 . 1 1 94 94 ASP H H 94 7.399 7.399 7.811 -0.412 25536 4375 1 9 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.259 0.159 25536 4376 1 9 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.350 0.297 25536 4377 1 9 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.228 0.532 25536 4378 1 9 . 1 1 96 96 SER N N 96 118.790 118.790 116.257 2.533 25536 4379 1 9 . 1 1 96 96 SER HA H 96 4.219 4.219 4.028 0.191 25536 4380 1 9 . 1 1 96 96 SER C C 96 173.615 173.615 173.819 -0.204 25536 4381 1 9 . 1 1 96 96 SER CA C 96 64.525 64.525 63.531 0.994 25536 4382 1 9 . 1 1 96 96 SER CB C 96 61.994 61.994 61.026 0.967 25536 4383 1 9 . 1 1 96 96 SER H H 96 8.052 8.052 8.315 -0.263 25536 4384 1 9 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.326 0.021 25536 4385 1 9 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.270 0.746 25536 4386 1 9 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.272 0.340 25536 4387 1 9 . 1 1 98 98 LEU N N 98 117.938 117.938 119.852 -1.914 25536 4388 1 9 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.796 -0.200 25536 4389 1 9 . 1 1 98 98 LEU C C 98 178.196 178.196 179.216 -1.020 25536 4390 1 9 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.807 -0.523 25536 4391 1 9 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.213 0.196 25536 4392 1 9 . 1 1 98 98 LEU H H 98 7.076 7.076 7.645 -0.569 25536 4393 1 9 . 1 1 99 99 TYR N N 99 117.957 117.957 117.546 0.411 25536 4394 1 9 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.123 0.027 25536 4395 1 9 . 1 1 99 99 TYR C C 99 178.767 178.767 178.528 0.239 25536 4396 1 9 . 1 1 99 99 TYR CA C 99 61.223 61.223 58.170 3.053 25536 4397 1 9 . 1 1 99 99 TYR CB C 99 37.038 37.038 36.948 0.090 25536 4398 1 9 . 1 1 99 99 TYR H H 99 7.547 7.547 7.679 -0.132 25536 4399 1 9 . 1 1 100 100 ASP N N 100 119.536 119.536 119.889 -0.353 25536 4400 1 9 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.396 -0.070 25536 4401 1 9 . 1 1 100 100 ASP C C 100 177.737 177.737 178.141 -0.404 25536 4402 1 9 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.336 0.539 25536 4403 1 9 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.950 0.190 25536 4404 1 9 . 1 1 100 100 ASP H H 100 8.292 8.292 8.516 -0.224 25536 4405 1 9 . 1 1 101 101 MET N N 101 118.757 118.757 117.335 1.422 25536 4406 1 9 . 1 1 101 101 MET HA H 101 3.964 3.964 4.353 -0.389 25536 4407 1 9 . 1 1 101 101 MET C C 101 180.006 180.006 177.596 2.410 25536 4408 1 9 . 1 1 101 101 MET CA C 101 59.710 59.710 57.695 2.015 25536 4409 1 9 . 1 1 101 101 MET CB C 101 31.642 31.642 32.235 -0.593 25536 4410 1 9 . 1 1 101 101 MET H H 101 7.226 7.226 7.537 -0.311 25536 4411 1 9 . 1 1 102 102 LEU N N 102 121.624 121.624 120.317 1.307 25536 4412 1 9 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.063 -0.367 25536 4413 1 9 . 1 1 102 102 LEU C C 102 178.566 178.566 179.067 -0.501 25536 4414 1 9 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.264 1.663 25536 4415 1 9 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.481 0.004 25536 4416 1 9 . 1 1 102 102 LEU H H 102 8.472 8.472 8.148 0.324 25536 4417 1 9 . 1 1 103 103 ARG N N 103 117.111 117.111 118.169 -1.058 25536 4418 1 9 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.067 -0.097 25536 4419 1 9 . 1 1 103 103 ARG C C 103 178.818 178.818 177.566 1.252 25536 4420 1 9 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.871 0.632 25536 4421 1 9 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.058 0.237 25536 4422 1 9 . 1 1 103 103 ARG H H 103 7.932 7.932 8.311 -0.379 25536 4423 1 9 . 1 1 104 104 LYS N N 104 114.172 114.172 116.156 -1.984 25536 4424 1 9 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.417 -0.195 25536 4425 1 9 . 1 1 104 104 LYS C C 104 177.556 177.556 177.463 0.093 25536 4426 1 9 . 1 1 104 104 LYS CA C 104 57.960 57.960 57.000 0.960 25536 4427 1 9 . 1 1 104 104 LYS CB C 104 34.227 34.227 31.902 2.325 25536 4428 1 9 . 1 1 104 104 LYS H H 104 7.157 7.157 7.922 -0.765 25536 4429 1 9 . 1 1 105 105 ASN N N 105 114.145 114.145 117.197 -3.052 25536 4430 1 9 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.772 -0.041 25536 4431 1 9 . 1 1 105 105 ASN C C 105 172.822 172.822 174.332 -1.510 25536 4432 1 9 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.919 -0.076 25536 4433 1 9 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.519 2.126 25536 4434 1 9 . 1 1 105 105 ASN H H 105 7.665 7.665 7.862 -0.197 25536 4435 1 9 . 1 1 106 106 LEU N N 106 118.600 118.600 121.306 -2.706 25536 4436 1 9 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.743 -0.072 25536 4437 1 9 . 1 1 106 106 LEU C C 106 175.658 175.658 174.929 0.729 25536 4438 1 9 . 1 1 106 106 LEU CA C 106 54.158 54.158 53.856 0.302 25536 4439 1 9 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.282 -0.717 25536 4440 1 9 . 1 1 106 106 LEU H H 106 7.439 7.439 8.089 -0.650 25536 4441 1 9 . 1 1 107 107 VAL N N 107 122.739 122.739 126.640 -3.901 25536 4442 1 9 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.167 0.041 25536 4443 1 9 . 1 1 107 107 VAL C C 107 176.054 176.054 175.522 0.532 25536 4444 1 9 . 1 1 107 107 VAL CA C 107 62.216 62.216 63.025 -0.809 25536 4445 1 9 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.452 1.129 25536 4446 1 9 . 1 1 107 107 VAL H H 107 8.182 8.182 8.399 -0.217 25536 4447 1 9 . 1 1 108 108 THR N N 108 120.854 120.854 117.344 3.510 25536 4448 1 9 . 1 1 108 108 THR HA H 108 4.336 4.336 4.515 -0.179 25536 4449 1 9 . 1 1 108 108 THR C C 108 174.216 174.216 175.088 -0.872 25536 4450 1 9 . 1 1 108 108 THR CA C 108 62.726 62.726 60.296 2.430 25536 4451 1 9 . 1 1 108 108 THR CB C 108 70.080 70.080 70.374 -0.294 25536 4452 1 9 . 1 1 108 108 THR H H 108 8.524 8.524 7.841 0.683 25536 4453 1 9 . 1 1 109 109 LEU N N 109 125.529 125.529 122.512 3.017 25536 4454 1 9 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.319 0.033 25536 4455 1 9 . 1 1 109 109 LEU C C 109 176.523 176.523 176.672 -0.149 25536 4456 1 9 . 1 1 109 109 LEU CA C 109 55.047 55.047 56.039 -0.992 25536 4457 1 9 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.059 1.531 25536 4458 1 9 . 1 1 109 109 LEU H H 109 8.313 8.313 8.567 -0.254 25536 4459 1 9 . 1 1 110 110 ALA N N 110 125.099 125.099 119.438 5.661 25536 4460 1 9 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.028 0.338 25536 4461 1 9 . 1 1 110 110 ALA C C 110 176.847 176.847 176.413 0.434 25536 4462 1 9 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.815 -0.187 25536 4463 1 9 . 1 1 110 110 ALA CB C 110 19.706 19.706 18.078 1.627 25536 4464 1 9 . 1 1 110 110 ALA H H 110 8.257 8.257 7.859 0.398 25536 4465 1 10 . 1 1 24 24 ILE N N 24 120.668 120.668 119.385 1.283 25536 4466 1 10 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.432 0.715 25536 4467 1 10 . 1 1 24 24 ILE C C 24 175.650 175.650 175.661 -0.011 25536 4468 1 10 . 1 1 24 24 ILE CA C 24 61.342 61.342 63.348 -2.006 25536 4469 1 10 . 1 1 24 24 ILE CB C 24 39.067 39.067 37.154 1.913 25536 4470 1 10 . 1 1 24 24 ILE H H 24 8.119 8.119 8.299 -0.180 25536 4471 1 10 . 1 1 25 25 ASN N N 25 122.032 122.032 116.616 5.416 25536 4472 1 10 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.356 0.348 25536 4473 1 10 . 1 1 25 25 ASN C C 25 174.775 174.775 173.850 0.925 25536 4474 1 10 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.754 -0.024 25536 4475 1 10 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.492 1.915 25536 4476 1 10 . 1 1 25 25 ASN H H 25 8.446 8.446 8.417 0.029 25536 4477 1 10 . 1 1 26 26 GLN N N 26 118.655 118.655 117.563 1.092 25536 4478 1 10 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.584 0.003 25536 4479 1 10 . 1 1 26 26 GLN C C 26 175.291 175.291 174.055 1.236 25536 4480 1 10 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.722 0.980 25536 4481 1 10 . 1 1 26 26 GLN CB C 26 32.258 32.258 31.677 0.581 25536 4482 1 10 . 1 1 26 26 GLN H H 26 8.215 8.215 7.757 0.458 25536 4483 1 10 . 1 1 27 27 VAL N N 27 113.749 113.749 121.124 -7.375 25536 4484 1 10 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.372 0.495 25536 4485 1 10 . 1 1 27 27 VAL C C 27 173.900 173.900 174.330 -0.430 25536 4486 1 10 . 1 1 27 27 VAL CA C 27 59.116 59.116 59.330 -0.214 25536 4487 1 10 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.706 1.398 25536 4488 1 10 . 1 1 27 27 VAL H H 27 9.417 9.417 8.627 0.790 25536 4489 1 10 . 1 1 28 28 ARG N N 28 121.515 121.515 124.754 -3.239 25536 4490 1 10 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.300 0.157 25536 4491 1 10 . 1 1 28 28 ARG C C 28 175.090 175.090 174.791 0.299 25536 4492 1 10 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.637 -1.066 25536 4493 1 10 . 1 1 28 28 ARG CB C 28 33.674 33.674 29.741 3.933 25536 4494 1 10 . 1 1 28 28 ARG H H 28 8.901 8.901 8.292 0.609 25536 4495 1 10 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.428 0.567 25536 4496 1 10 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.402 -0.350 25536 4497 1 10 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.349 -0.088 25536 4498 1 10 . 1 1 30 30 LYS N N 30 121.291 121.291 119.477 1.814 25536 4499 1 10 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.155 0.046 25536 4500 1 10 . 1 1 30 30 LYS C C 30 177.557 177.557 178.572 -1.015 25536 4501 1 10 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.332 1.390 25536 4502 1 10 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.402 0.593 25536 4503 1 10 . 1 1 30 30 LYS H H 30 8.476 8.476 8.271 0.205 25536 4504 1 10 . 1 1 31 31 LEU N N 31 121.578 121.578 123.798 -2.220 25536 4505 1 10 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.094 -0.039 25536 4506 1 10 . 1 1 31 31 LEU C C 31 174.261 174.261 176.895 -2.634 25536 4507 1 10 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.910 0.286 25536 4508 1 10 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.447 0.403 25536 4509 1 10 . 1 1 31 31 LEU H H 31 8.584 8.584 8.881 -0.297 25536 4510 1 10 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.197 -0.064 25536 4511 1 10 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.611 0.967 25536 4512 1 10 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.271 0.206 25536 4513 1 10 . 1 1 33 33 LEU N N 33 113.190 113.190 118.500 -5.310 25536 4514 1 10 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.168 -0.193 25536 4515 1 10 . 1 1 33 33 LEU C C 33 177.726 177.726 178.956 -1.230 25536 4516 1 10 . 1 1 33 33 LEU CA C 33 56.140 56.140 56.972 -0.832 25536 4517 1 10 . 1 1 33 33 LEU CB C 33 41.847 41.847 42.153 -0.306 25536 4518 1 10 . 1 1 33 33 LEU H H 33 6.605 6.605 7.486 -0.881 25536 4519 1 10 . 1 1 34 34 LEU N N 34 121.683 121.683 120.924 0.759 25536 4520 1 10 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.876 -0.494 25536 4521 1 10 . 1 1 34 34 LEU C C 34 177.321 177.321 177.905 -0.584 25536 4522 1 10 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.450 0.786 25536 4523 1 10 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.386 0.525 25536 4524 1 10 . 1 1 34 34 LEU H H 34 8.399 8.399 8.585 -0.186 25536 4525 1 10 . 1 1 35 35 LYS N N 35 114.524 114.524 119.263 -4.739 25536 4526 1 10 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.977 -0.184 25536 4527 1 10 . 1 1 35 35 LYS C C 35 180.207 180.207 178.753 1.454 25536 4528 1 10 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.482 0.589 25536 4529 1 10 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.806 0.663 25536 4530 1 10 . 1 1 35 35 LYS H H 35 7.940 7.940 8.085 -0.145 25536 4531 1 10 . 1 1 36 36 ILE N N 36 119.857 119.857 119.377 0.480 25536 4532 1 10 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.768 -0.464 25536 4533 1 10 . 1 1 36 36 ILE C C 36 176.418 176.418 178.237 -1.819 25536 4534 1 10 . 1 1 36 36 ILE CA C 36 64.480 64.480 63.690 0.790 25536 4535 1 10 . 1 1 36 36 ILE CB C 36 37.604 37.604 36.798 0.806 25536 4536 1 10 . 1 1 36 36 ILE H H 36 6.742 6.742 7.719 -0.977 25536 4537 1 10 . 1 1 37 37 LEU N N 37 116.695 116.695 119.805 -3.110 25536 4538 1 10 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.882 -0.360 25536 4539 1 10 . 1 1 37 37 LEU C C 37 180.263 180.263 179.520 0.743 25536 4540 1 10 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.396 -0.116 25536 4541 1 10 . 1 1 37 37 LEU CB C 37 39.138 39.138 41.168 -2.030 25536 4542 1 10 . 1 1 37 37 LEU H H 37 7.595 7.595 7.504 0.091 25536 4543 1 10 . 1 1 38 38 HIS N N 38 117.829 117.829 117.165 0.664 25536 4544 1 10 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.212 0.470 25536 4545 1 10 . 1 1 38 38 HIS C C 38 180.133 180.133 178.096 2.037 25536 4546 1 10 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.377 -1.086 25536 4547 1 10 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.192 1.219 25536 4548 1 10 . 1 1 38 38 HIS H H 38 8.955 8.955 8.565 0.390 25536 4549 1 10 . 1 1 39 39 ALA N N 39 124.006 124.006 122.100 1.906 25536 4550 1 10 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.210 0.036 25536 4551 1 10 . 1 1 39 39 ALA C C 39 178.835 178.835 178.535 0.300 25536 4552 1 10 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.558 0.527 25536 4553 1 10 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.439 -0.329 25536 4554 1 10 . 1 1 39 39 ALA H H 39 7.945 7.945 8.293 -0.348 25536 4555 1 10 . 1 1 40 40 ALA N N 40 118.201 118.201 119.248 -1.047 25536 4556 1 10 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.372 0.049 25536 4557 1 10 . 1 1 40 40 ALA C C 40 176.261 176.261 177.964 -1.703 25536 4558 1 10 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.415 -0.279 25536 4559 1 10 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.307 0.805 25536 4560 1 10 . 1 1 40 40 ALA H H 40 7.665 7.665 7.619 0.046 25536 4561 1 10 . 1 1 41 41 GLY N N 41 103.920 103.920 107.673 -3.753 25536 4562 1 10 . 1 1 41 41 GLY C C 41 174.412 174.412 173.827 0.585 25536 4563 1 10 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.815 0.152 25536 4564 1 10 . 1 1 41 41 GLY H H 41 7.683 7.683 7.754 -0.071 25536 4565 1 10 . 1 1 42 42 ALA N N 42 123.582 123.582 122.062 1.520 25536 4566 1 10 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.635 0.000 25536 4567 1 10 . 1 1 42 42 ALA C C 42 175.772 175.772 176.960 -1.188 25536 4568 1 10 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.003 1.677 25536 4569 1 10 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.549 -0.193 25536 4570 1 10 . 1 1 42 42 ALA H H 42 7.578 7.578 7.759 -0.181 25536 4571 1 10 . 1 1 43 43 GLN N N 43 116.996 116.996 120.194 -3.198 25536 4572 1 10 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.502 -0.153 25536 4573 1 10 . 1 1 43 43 GLN C C 43 175.528 175.528 175.565 -0.037 25536 4574 1 10 . 1 1 43 43 GLN CA C 43 54.651 54.651 54.552 0.099 25536 4575 1 10 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.159 3.255 25536 4576 1 10 . 1 1 43 43 GLN H H 43 8.481 8.481 8.673 -0.192 25536 4577 1 10 . 1 1 44 44 GLY N N 44 108.128 108.128 107.177 0.951 25536 4578 1 10 . 1 1 44 44 GLY C C 44 173.892 173.892 172.982 0.910 25536 4579 1 10 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.297 -0.598 25536 4580 1 10 . 1 1 44 44 GLY H H 44 8.510 8.510 7.718 0.792 25536 4581 1 10 . 1 1 45 45 GLU N N 45 114.113 114.113 117.897 -3.784 25536 4582 1 10 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.407 0.201 25536 4583 1 10 . 1 1 45 45 GLU C C 45 174.007 174.007 174.955 -0.948 25536 4584 1 10 . 1 1 45 45 GLU CA C 45 56.829 56.829 56.521 0.308 25536 4585 1 10 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.020 2.031 25536 4586 1 10 . 1 1 45 45 GLU H H 45 8.245 8.245 8.418 -0.173 25536 4587 1 10 . 1 1 46 46 MET N N 46 115.322 115.322 116.768 -1.446 25536 4588 1 10 . 1 1 46 46 MET HA H 46 5.051 5.051 4.487 0.564 25536 4589 1 10 . 1 1 46 46 MET C C 46 174.637 174.637 174.514 0.123 25536 4590 1 10 . 1 1 46 46 MET CA C 46 54.264 54.264 54.506 -0.242 25536 4591 1 10 . 1 1 46 46 MET CB C 46 35.854 35.854 33.912 1.942 25536 4592 1 10 . 1 1 46 46 MET H H 46 6.872 6.872 6.981 -0.109 25536 4593 1 10 . 1 1 47 47 PHE N N 47 119.008 119.008 118.687 0.321 25536 4594 1 10 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.198 -0.104 25536 4595 1 10 . 1 1 47 47 PHE C C 47 175.742 175.742 175.184 0.558 25536 4596 1 10 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.661 1.677 25536 4597 1 10 . 1 1 47 47 PHE CB C 47 46.912 46.912 40.900 6.012 25536 4598 1 10 . 1 1 47 47 PHE H H 47 8.623 8.623 8.763 -0.140 25536 4599 1 10 . 1 1 48 48 THR N N 48 110.544 110.544 112.397 -1.853 25536 4600 1 10 . 1 1 48 48 THR HA H 48 4.990 4.990 4.569 0.421 25536 4601 1 10 . 1 1 48 48 THR C C 48 176.666 176.666 176.147 0.519 25536 4602 1 10 . 1 1 48 48 THR CA C 48 61.095 61.095 60.276 0.819 25536 4603 1 10 . 1 1 48 48 THR CB C 48 71.136 71.136 70.006 1.130 25536 4604 1 10 . 1 1 48 48 THR H H 48 9.108 9.108 9.334 -0.226 25536 4605 1 10 . 1 1 49 49 VAL N N 49 121.588 121.588 122.233 -0.645 25536 4606 1 10 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.575 -0.194 25536 4607 1 10 . 1 1 49 49 VAL C C 49 177.726 177.726 177.499 0.227 25536 4608 1 10 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.396 0.845 25536 4609 1 10 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.516 0.039 25536 4610 1 10 . 1 1 49 49 VAL H H 49 9.044 9.044 8.516 0.528 25536 4611 1 10 . 1 1 50 50 LYS N N 50 118.341 118.341 116.543 1.798 25536 4612 1 10 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.118 -0.159 25536 4613 1 10 . 1 1 50 50 LYS C C 50 180.060 180.060 178.360 1.700 25536 4614 1 10 . 1 1 50 50 LYS CA C 50 60.356 60.356 58.860 1.496 25536 4615 1 10 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.890 0.949 25536 4616 1 10 . 1 1 50 50 LYS H H 50 8.132 8.132 8.397 -0.265 25536 4617 1 10 . 1 1 51 51 GLU N N 51 119.521 119.521 120.280 -0.759 25536 4618 1 10 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.974 0.072 25536 4619 1 10 . 1 1 51 51 GLU C C 51 178.583 178.583 178.500 0.083 25536 4620 1 10 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.000 0.903 25536 4621 1 10 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.125 1.331 25536 4622 1 10 . 1 1 51 51 GLU H H 51 7.877 7.877 7.445 0.432 25536 4623 1 10 . 1 1 52 52 VAL N N 52 119.044 119.044 117.372 1.672 25536 4624 1 10 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.488 -0.238 25536 4625 1 10 . 1 1 52 52 VAL C C 52 177.546 177.546 177.971 -0.425 25536 4626 1 10 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.813 2.088 25536 4627 1 10 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.650 -0.273 25536 4628 1 10 . 1 1 52 52 VAL H H 52 8.245 8.245 8.411 -0.166 25536 4629 1 10 . 1 1 53 53 MET N N 53 114.669 114.669 116.187 -1.518 25536 4630 1 10 . 1 1 53 53 MET HA H 53 4.198 4.198 3.958 0.240 25536 4631 1 10 . 1 1 53 53 MET C C 53 178.699 178.699 177.139 1.560 25536 4632 1 10 . 1 1 53 53 MET CA C 53 57.748 57.748 58.396 -0.648 25536 4633 1 10 . 1 1 53 53 MET CB C 53 32.680 32.680 31.988 0.692 25536 4634 1 10 . 1 1 53 53 MET H H 53 8.188 8.188 8.055 0.133 25536 4635 1 10 . 1 1 54 54 HIS N N 54 118.909 118.909 120.016 -1.107 25536 4636 1 10 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.156 -0.039 25536 4637 1 10 . 1 1 54 54 HIS C C 54 178.675 178.675 176.867 1.808 25536 4638 1 10 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.481 -0.209 25536 4639 1 10 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.674 0.923 25536 4640 1 10 . 1 1 54 54 HIS H H 54 8.091 8.091 7.604 0.487 25536 4641 1 10 . 1 1 55 55 TYR N N 55 116.769 116.769 116.966 -0.197 25536 4642 1 10 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.225 -0.373 25536 4643 1 10 . 1 1 55 55 TYR C C 55 177.794 177.794 177.838 -0.044 25536 4644 1 10 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.647 3.070 25536 4645 1 10 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.100 2.029 25536 4646 1 10 . 1 1 55 55 TYR H H 55 8.468 8.468 7.285 1.183 25536 4647 1 10 . 1 1 56 56 LEU N N 56 120.819 120.819 120.437 0.382 25536 4648 1 10 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.880 -0.071 25536 4649 1 10 . 1 1 56 56 LEU C C 56 178.484 178.484 179.086 -0.602 25536 4650 1 10 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.628 0.994 25536 4651 1 10 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.106 1.475 25536 4652 1 10 . 1 1 56 56 LEU H H 56 8.455 8.455 7.293 1.162 25536 4653 1 10 . 1 1 57 57 GLY N N 57 104.896 104.896 106.783 -1.887 25536 4654 1 10 . 1 1 57 57 GLY C C 57 175.647 175.647 175.749 -0.102 25536 4655 1 10 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.250 -0.011 25536 4656 1 10 . 1 1 57 57 GLY H H 57 7.691 7.691 7.930 -0.239 25536 4657 1 10 . 1 1 58 58 GLN N N 58 119.080 119.080 121.859 -2.779 25536 4658 1 10 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.986 -0.174 25536 4659 1 10 . 1 1 58 58 GLN C C 58 177.429 177.429 177.708 -0.279 25536 4660 1 10 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.495 0.183 25536 4661 1 10 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.413 0.462 25536 4662 1 10 . 1 1 58 58 GLN H H 58 7.704 7.704 7.984 -0.280 25536 4663 1 10 . 1 1 59 59 TYR N N 59 120.995 120.995 122.486 -1.491 25536 4664 1 10 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.223 -0.419 25536 4665 1 10 . 1 1 59 59 TYR C C 59 176.215 176.215 177.475 -1.260 25536 4666 1 10 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.088 0.477 25536 4667 1 10 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.663 -0.044 25536 4668 1 10 . 1 1 59 59 TYR H H 59 8.500 8.500 8.153 0.347 25536 4669 1 10 . 1 1 60 60 ILE N N 60 116.532 116.532 119.460 -2.928 25536 4670 1 10 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.721 -0.418 25536 4671 1 10 . 1 1 60 60 ILE C C 60 177.952 177.952 178.422 -0.470 25536 4672 1 10 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.936 -0.389 25536 4673 1 10 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.969 0.462 25536 4674 1 10 . 1 1 60 60 ILE H H 60 7.585 7.585 8.781 -1.196 25536 4675 1 10 . 1 1 61 61 MET N N 61 115.556 115.556 120.013 -4.457 25536 4676 1 10 . 1 1 61 61 MET HA H 61 4.547 4.547 4.307 0.240 25536 4677 1 10 . 1 1 61 61 MET C C 61 180.579 180.579 178.740 1.839 25536 4678 1 10 . 1 1 61 61 MET CA C 61 57.563 57.563 58.385 -0.822 25536 4679 1 10 . 1 1 61 61 MET CB C 61 31.473 31.473 31.930 -0.457 25536 4680 1 10 . 1 1 61 61 MET H H 61 7.707 7.707 8.144 -0.437 25536 4681 1 10 . 1 1 62 62 VAL N N 62 120.872 120.872 118.907 1.965 25536 4682 1 10 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.834 -0.006 25536 4683 1 10 . 1 1 62 62 VAL C C 62 178.786 178.786 177.708 1.078 25536 4684 1 10 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.943 1.169 25536 4685 1 10 . 1 1 62 62 VAL CB C 62 31.991 31.991 31.827 0.164 25536 4686 1 10 . 1 1 62 62 VAL H H 62 9.009 9.009 8.465 0.544 25536 4687 1 10 . 1 1 63 63 LYS N N 63 116.652 116.652 117.725 -1.073 25536 4688 1 10 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.163 -0.106 25536 4689 1 10 . 1 1 63 63 LYS C C 63 174.784 174.784 175.924 -1.140 25536 4690 1 10 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.778 0.305 25536 4691 1 10 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.316 -0.855 25536 4692 1 10 . 1 1 63 63 LYS H H 63 7.812 7.812 8.161 -0.349 25536 4693 1 10 . 1 1 64 64 GLN N N 64 115.445 115.445 115.036 0.409 25536 4694 1 10 . 1 1 64 64 GLN HA H 64 3.606 3.606 4.036 -0.430 25536 4695 1 10 . 1 1 64 64 GLN C C 64 175.550 175.550 175.096 0.454 25536 4696 1 10 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.439 0.540 25536 4697 1 10 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.324 0.924 25536 4698 1 10 . 1 1 64 64 GLN H H 64 7.642 7.642 7.957 -0.315 25536 4699 1 10 . 1 1 65 65 LEU N N 65 115.724 115.724 118.581 -2.857 25536 4700 1 10 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.520 -0.063 25536 4701 1 10 . 1 1 65 65 LEU C C 65 175.979 175.979 175.627 0.352 25536 4702 1 10 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.273 0.381 25536 4703 1 10 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.754 0.196 25536 4704 1 10 . 1 1 65 65 LEU H H 65 8.097 8.097 7.776 0.321 25536 4705 1 10 . 1 1 66 66 TYR N N 66 112.953 112.953 114.863 -1.910 25536 4706 1 10 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.362 -0.070 25536 4707 1 10 . 1 1 66 66 TYR C C 66 173.941 173.941 174.051 -0.110 25536 4708 1 10 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.834 0.795 25536 4709 1 10 . 1 1 66 66 TYR CB C 66 39.748 39.748 41.159 -1.411 25536 4710 1 10 . 1 1 66 66 TYR H H 66 6.856 6.856 7.013 -0.157 25536 4711 1 10 . 1 1 67 67 ASP N N 67 122.196 122.196 121.333 0.863 25536 4712 1 10 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.723 -0.285 25536 4713 1 10 . 1 1 67 67 ASP C C 67 176.779 176.779 177.125 -0.346 25536 4714 1 10 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.789 0.190 25536 4715 1 10 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.451 0.081 25536 4716 1 10 . 1 1 67 67 ASP H H 67 8.324 8.324 8.294 0.030 25536 4717 1 10 . 1 1 68 68 GLN N N 68 123.042 123.042 123.914 -0.872 25536 4718 1 10 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.008 -0.122 25536 4719 1 10 . 1 1 68 68 GLN C C 68 177.122 177.122 177.610 -0.488 25536 4720 1 10 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.668 0.363 25536 4721 1 10 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.431 0.656 25536 4722 1 10 . 1 1 68 68 GLN H H 68 8.563 8.563 8.800 -0.237 25536 4723 1 10 . 1 1 69 69 GLN N N 69 115.263 115.263 116.420 -1.157 25536 4724 1 10 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.309 0.048 25536 4725 1 10 . 1 1 69 69 GLN C C 69 176.272 176.272 176.522 -0.250 25536 4726 1 10 . 1 1 69 69 GLN CA C 69 57.129 57.129 56.830 0.300 25536 4727 1 10 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.770 0.354 25536 4728 1 10 . 1 1 69 69 GLN H H 69 8.356 8.356 8.366 -0.010 25536 4729 1 10 . 1 1 70 70 GLU N N 70 122.549 122.549 119.525 3.024 25536 4730 1 10 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.501 0.018 25536 4731 1 10 . 1 1 70 70 GLU C C 70 175.953 175.953 176.048 -0.095 25536 4732 1 10 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.364 -0.407 25536 4733 1 10 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.812 -0.252 25536 4734 1 10 . 1 1 70 70 GLU H H 70 8.227 8.227 7.846 0.381 25536 4735 1 10 . 1 1 71 71 GLN N N 71 118.815 118.815 121.860 -3.045 25536 4736 1 10 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.277 0.275 25536 4737 1 10 . 1 1 71 71 GLN C C 71 174.842 174.842 176.426 -1.584 25536 4738 1 10 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.502 1.196 25536 4739 1 10 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.589 -0.659 25536 4740 1 10 . 1 1 71 71 GLN H H 71 8.253 8.253 8.840 -0.587 25536 4741 1 10 . 1 1 72 72 HIS N N 72 111.141 111.141 110.878 0.263 25536 4742 1 10 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.518 -0.345 25536 4743 1 10 . 1 1 72 72 HIS C C 72 173.749 173.749 175.014 -1.265 25536 4744 1 10 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.671 0.588 25536 4745 1 10 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.576 1.496 25536 4746 1 10 . 1 1 72 72 HIS H H 72 7.412 7.412 7.324 0.088 25536 4747 1 10 . 1 1 73 73 MET N N 73 119.350 119.350 120.473 -1.123 25536 4748 1 10 . 1 1 73 73 MET HA H 73 4.584 4.584 4.558 0.026 25536 4749 1 10 . 1 1 73 73 MET C C 73 174.311 174.311 174.888 -0.577 25536 4750 1 10 . 1 1 73 73 MET CA C 73 53.186 53.186 53.806 -0.620 25536 4751 1 10 . 1 1 73 73 MET CB C 73 31.731 31.731 31.724 0.007 25536 4752 1 10 . 1 1 73 73 MET H H 73 7.766 7.766 7.403 0.363 25536 4753 1 10 . 1 1 74 74 VAL N N 74 122.542 122.542 124.372 -1.830 25536 4754 1 10 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.309 -0.361 25536 4755 1 10 . 1 1 74 74 VAL C C 74 174.756 174.756 174.693 0.063 25536 4756 1 10 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.331 0.291 25536 4757 1 10 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.175 0.639 25536 4758 1 10 . 1 1 74 74 VAL H H 74 8.456 8.456 8.443 0.013 25536 4759 1 10 . 1 1 75 75 TYR N N 75 125.680 125.680 125.789 -0.109 25536 4760 1 10 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.225 -0.466 25536 4761 1 10 . 1 1 75 75 TYR C C 75 174.923 174.923 175.461 -0.538 25536 4762 1 10 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.208 0.604 25536 4763 1 10 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.454 0.395 25536 4764 1 10 . 1 1 75 75 TYR H H 75 8.213 8.213 8.987 -0.774 25536 4765 1 10 . 1 1 76 76 CYS N N 76 116.702 116.702 120.576 -3.874 25536 4766 1 10 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.557 0.182 25536 4767 1 10 . 1 1 76 76 CYS C C 76 174.231 174.231 175.244 -1.013 25536 4768 1 10 . 1 1 76 76 CYS CA C 76 56.103 56.103 59.224 -3.121 25536 4769 1 10 . 1 1 76 76 CYS CB C 76 29.697 29.697 28.044 1.653 25536 4770 1 10 . 1 1 76 76 CYS H H 76 8.307 8.307 8.623 -0.316 25536 4771 1 10 . 1 1 77 77 GLY N N 77 111.569 111.569 109.217 2.352 25536 4772 1 10 . 1 1 77 77 GLY C C 77 174.662 174.662 174.751 -0.089 25536 4773 1 10 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.574 0.575 25536 4774 1 10 . 1 1 77 77 GLY H H 77 8.484 8.484 7.854 0.630 25536 4775 1 10 . 1 1 78 78 GLY N N 78 113.022 113.022 113.293 -0.271 25536 4776 1 10 . 1 1 78 78 GLY C C 78 172.811 172.811 174.245 -1.434 25536 4777 1 10 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.845 0.915 25536 4778 1 10 . 1 1 78 78 GLY H H 78 8.889 8.889 8.577 0.312 25536 4779 1 10 . 1 1 79 79 ASP N N 79 119.431 119.431 120.789 -1.358 25536 4780 1 10 . 1 1 79 79 ASP HA H 79 4.888 4.888 5.183 -0.295 25536 4781 1 10 . 1 1 79 79 ASP C C 79 176.302 176.302 176.202 0.100 25536 4782 1 10 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.096 -0.003 25536 4783 1 10 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.617 4.647 25536 4784 1 10 . 1 1 79 79 ASP H H 79 7.789 7.789 7.891 -0.102 25536 4785 1 10 . 1 1 80 80 LEU N N 80 128.421 128.421 124.155 4.266 25536 4786 1 10 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.209 -0.145 25536 4787 1 10 . 1 1 80 80 LEU C C 80 179.059 179.059 178.332 0.727 25536 4788 1 10 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.969 0.834 25536 4789 1 10 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.010 0.393 25536 4790 1 10 . 1 1 80 80 LEU H H 80 8.549 8.549 9.006 -0.457 25536 4791 1 10 . 1 1 81 81 LEU N N 81 118.633 118.633 119.442 -0.809 25536 4792 1 10 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.963 -0.096 25536 4793 1 10 . 1 1 81 81 LEU C C 81 178.542 178.542 178.073 0.469 25536 4794 1 10 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.853 0.918 25536 4795 1 10 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.080 1.569 25536 4796 1 10 . 1 1 81 81 LEU H H 81 9.973 9.973 7.819 2.154 25536 4797 1 10 . 1 1 82 82 GLY N N 82 105.564 105.564 105.937 -0.373 25536 4798 1 10 . 1 1 82 82 GLY C C 82 176.907 176.907 175.724 1.183 25536 4799 1 10 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.023 1.040 25536 4800 1 10 . 1 1 82 82 GLY H H 82 7.559 7.559 7.680 -0.121 25536 4801 1 10 . 1 1 83 83 GLU N N 83 121.706 121.706 122.626 -0.920 25536 4802 1 10 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.081 -0.099 25536 4803 1 10 . 1 1 83 83 GLU C C 83 179.215 179.215 178.773 0.442 25536 4804 1 10 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.900 0.261 25536 4805 1 10 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.597 -0.104 25536 4806 1 10 . 1 1 83 83 GLU H H 83 7.536 7.536 8.141 -0.605 25536 4807 1 10 . 1 1 84 84 LEU N N 84 118.455 118.455 120.716 -2.261 25536 4808 1 10 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.138 -0.114 25536 4809 1 10 . 1 1 84 84 LEU C C 84 178.842 178.842 178.304 0.538 25536 4810 1 10 . 1 1 84 84 LEU CA C 84 57.475 57.475 56.877 0.598 25536 4811 1 10 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.049 0.438 25536 4812 1 10 . 1 1 84 84 LEU H H 84 7.701 7.701 8.087 -0.386 25536 4813 1 10 . 1 1 85 85 LEU N N 85 115.271 115.271 118.461 -3.190 25536 4814 1 10 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.889 -0.113 25536 4815 1 10 . 1 1 85 85 LEU C C 85 177.773 177.773 178.046 -0.273 25536 4816 1 10 . 1 1 85 85 LEU CA C 85 56.375 56.375 57.216 -0.841 25536 4817 1 10 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.394 1.499 25536 4818 1 10 . 1 1 85 85 LEU H H 85 8.117 8.117 8.336 -0.219 25536 4819 1 10 . 1 1 86 86 GLY N N 86 107.216 107.216 104.357 2.859 25536 4820 1 10 . 1 1 86 86 GLY C C 86 174.090 174.090 173.913 0.177 25536 4821 1 10 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.383 0.932 25536 4822 1 10 . 1 1 86 86 GLY H H 86 7.983 7.983 8.222 -0.239 25536 4823 1 10 . 1 1 87 87 ARG N N 87 113.296 113.296 118.237 -4.941 25536 4824 1 10 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.719 -0.065 25536 4825 1 10 . 1 1 87 87 ARG C C 87 174.720 174.720 175.224 -0.504 25536 4826 1 10 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.730 0.549 25536 4827 1 10 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.630 2.765 25536 4828 1 10 . 1 1 87 87 ARG H H 87 7.411 7.411 7.569 -0.158 25536 4829 1 10 . 1 1 88 88 GLN N N 88 115.575 115.575 121.038 -5.463 25536 4830 1 10 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.212 -0.159 25536 4831 1 10 . 1 1 88 88 GLN C C 88 175.946 175.946 175.149 0.797 25536 4832 1 10 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.425 -0.013 25536 4833 1 10 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.109 0.681 25536 4834 1 10 . 1 1 88 88 GLN H H 88 8.653 8.653 8.824 -0.171 25536 4835 1 10 . 1 1 89 89 SER N N 89 110.451 110.451 112.642 -2.191 25536 4836 1 10 . 1 1 89 89 SER HA H 89 5.428 5.428 5.172 0.256 25536 4837 1 10 . 1 1 89 89 SER C C 89 173.062 173.062 173.086 -0.024 25536 4838 1 10 . 1 1 89 89 SER CA C 89 57.011 57.011 56.942 0.069 25536 4839 1 10 . 1 1 89 89 SER CB C 89 66.560 66.560 65.632 0.928 25536 4840 1 10 . 1 1 89 89 SER H H 89 7.625 7.625 7.586 0.039 25536 4841 1 10 . 1 1 90 90 PHE N N 90 115.159 115.159 115.914 -0.755 25536 4842 1 10 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.947 -0.262 25536 4843 1 10 . 1 1 90 90 PHE C C 90 170.337 170.337 172.433 -2.096 25536 4844 1 10 . 1 1 90 90 PHE CA C 90 57.198 57.198 56.760 0.439 25536 4845 1 10 . 1 1 90 90 PHE CB C 90 40.412 40.412 39.878 0.534 25536 4846 1 10 . 1 1 90 90 PHE H H 90 8.549 8.549 7.772 0.777 25536 4847 1 10 . 1 1 91 91 SER N N 91 113.637 113.637 114.501 -0.864 25536 4848 1 10 . 1 1 91 91 SER HA H 91 5.350 5.350 5.223 0.127 25536 4849 1 10 . 1 1 91 91 SER C C 91 178.100 178.100 176.397 1.703 25536 4850 1 10 . 1 1 91 91 SER CA C 91 54.748 54.748 54.572 0.176 25536 4851 1 10 . 1 1 91 91 SER CB C 91 65.325 65.325 65.886 -0.561 25536 4852 1 10 . 1 1 91 91 SER H H 91 9.010 9.010 8.391 0.619 25536 4853 1 10 . 1 1 92 92 VAL N N 92 120.560 120.560 122.459 -1.899 25536 4854 1 10 . 1 1 92 92 VAL HA H 92 3.908 3.908 4.050 -0.142 25536 4855 1 10 . 1 1 92 92 VAL C C 92 175.704 175.704 176.085 -0.381 25536 4856 1 10 . 1 1 92 92 VAL CA C 92 64.000 64.000 64.993 -0.993 25536 4857 1 10 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.660 -0.861 25536 4858 1 10 . 1 1 92 92 VAL H H 92 8.948 8.948 8.636 0.312 25536 4859 1 10 . 1 1 93 93 LYS N N 93 116.481 116.481 119.354 -2.873 25536 4860 1 10 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.322 -0.375 25536 4861 1 10 . 1 1 93 93 LYS C C 93 177.088 177.088 175.928 1.160 25536 4862 1 10 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.665 1.034 25536 4863 1 10 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.094 -0.836 25536 4864 1 10 . 1 1 93 93 LYS H H 93 8.086 8.086 7.738 0.348 25536 4865 1 10 . 1 1 94 94 ASP N N 94 114.885 114.885 119.227 -4.342 25536 4866 1 10 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.076 -0.134 25536 4867 1 10 . 1 1 94 94 ASP C C 94 173.021 173.021 175.091 -2.070 25536 4868 1 10 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.458 0.131 25536 4869 1 10 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.824 -0.379 25536 4870 1 10 . 1 1 94 94 ASP H H 94 7.399 7.399 7.798 -0.399 25536 4871 1 10 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.708 -0.290 25536 4872 1 10 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.723 -0.076 25536 4873 1 10 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.781 -0.021 25536 4874 1 10 . 1 1 96 96 SER N N 96 118.790 118.790 116.348 2.442 25536 4875 1 10 . 1 1 96 96 SER HA H 96 4.219 4.219 4.283 -0.064 25536 4876 1 10 . 1 1 96 96 SER C C 96 173.615 173.615 174.003 -0.388 25536 4877 1 10 . 1 1 96 96 SER CA C 96 64.525 64.525 63.634 0.891 25536 4878 1 10 . 1 1 96 96 SER CB C 96 61.994 61.994 60.831 1.163 25536 4879 1 10 . 1 1 96 96 SER H H 96 8.052 8.052 8.577 -0.525 25536 4880 1 10 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.305 0.042 25536 4881 1 10 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.562 0.454 25536 4882 1 10 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.333 0.279 25536 4883 1 10 . 1 1 98 98 LEU N N 98 117.938 117.938 118.681 -0.743 25536 4884 1 10 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.758 -0.162 25536 4885 1 10 . 1 1 98 98 LEU C C 98 178.196 178.196 177.997 0.199 25536 4886 1 10 . 1 1 98 98 LEU CA C 98 57.284 57.284 58.241 -0.957 25536 4887 1 10 . 1 1 98 98 LEU CB C 98 41.409 41.409 40.808 0.601 25536 4888 1 10 . 1 1 98 98 LEU H H 98 7.076 7.076 7.661 -0.585 25536 4889 1 10 . 1 1 99 99 TYR N N 99 117.957 117.957 118.543 -0.586 25536 4890 1 10 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.038 0.112 25536 4891 1 10 . 1 1 99 99 TYR C C 99 178.767 178.767 177.903 0.864 25536 4892 1 10 . 1 1 99 99 TYR CA C 99 61.223 61.223 62.603 -1.380 25536 4893 1 10 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.835 -0.797 25536 4894 1 10 . 1 1 99 99 TYR H H 99 7.547 7.547 7.573 -0.026 25536 4895 1 10 . 1 1 100 100 ASP N N 100 119.536 119.536 120.323 -0.787 25536 4896 1 10 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.344 -0.018 25536 4897 1 10 . 1 1 100 100 ASP C C 100 177.737 177.737 178.169 -0.432 25536 4898 1 10 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.129 0.746 25536 4899 1 10 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.749 0.391 25536 4900 1 10 . 1 1 100 100 ASP H H 100 8.292 8.292 8.463 -0.171 25536 4901 1 10 . 1 1 101 101 MET N N 101 118.757 118.757 117.258 1.499 25536 4902 1 10 . 1 1 101 101 MET HA H 101 3.964 3.964 4.354 -0.390 25536 4903 1 10 . 1 1 101 101 MET C C 101 180.006 180.006 176.961 3.045 25536 4904 1 10 . 1 1 101 101 MET CA C 101 59.710 59.710 57.408 2.302 25536 4905 1 10 . 1 1 101 101 MET CB C 101 31.642 31.642 32.273 -0.631 25536 4906 1 10 . 1 1 101 101 MET H H 101 7.226 7.226 7.616 -0.390 25536 4907 1 10 . 1 1 102 102 LEU N N 102 121.624 121.624 119.383 2.241 25536 4908 1 10 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.118 -0.422 25536 4909 1 10 . 1 1 102 102 LEU C C 102 178.566 178.566 179.082 -0.516 25536 4910 1 10 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.978 1.949 25536 4911 1 10 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.714 -0.229 25536 4912 1 10 . 1 1 102 102 LEU H H 102 8.472 8.472 7.777 0.695 25536 4913 1 10 . 1 1 103 103 ARG N N 103 117.111 117.111 119.747 -2.636 25536 4914 1 10 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.084 -0.114 25536 4915 1 10 . 1 1 103 103 ARG C C 103 178.818 178.818 177.720 1.098 25536 4916 1 10 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.585 0.918 25536 4917 1 10 . 1 1 103 103 ARG CB C 103 30.295 30.295 29.640 0.655 25536 4918 1 10 . 1 1 103 103 ARG H H 103 7.932 7.932 8.772 -0.840 25536 4919 1 10 . 1 1 104 104 LYS N N 104 114.172 114.172 115.905 -1.733 25536 4920 1 10 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.338 -0.116 25536 4921 1 10 . 1 1 104 104 LYS C C 104 177.556 177.556 177.692 -0.136 25536 4922 1 10 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.709 1.251 25536 4923 1 10 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.430 1.797 25536 4924 1 10 . 1 1 104 104 LYS H H 104 7.157 7.157 7.988 -0.831 25536 4925 1 10 . 1 1 105 105 ASN N N 105 114.145 114.145 116.769 -2.624 25536 4926 1 10 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.818 -0.087 25536 4927 1 10 . 1 1 105 105 ASN C C 105 172.822 172.822 174.843 -2.021 25536 4928 1 10 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.490 0.353 25536 4929 1 10 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.955 1.690 25536 4930 1 10 . 1 1 105 105 ASN H H 105 7.665 7.665 7.994 -0.329 25536 4931 1 10 . 1 1 106 106 LEU N N 106 118.600 118.600 121.937 -3.337 25536 4932 1 10 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.665 0.006 25536 4933 1 10 . 1 1 106 106 LEU C C 106 175.658 175.658 174.598 1.060 25536 4934 1 10 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.268 -0.110 25536 4935 1 10 . 1 1 106 106 LEU CB C 106 43.565 43.565 43.840 -0.275 25536 4936 1 10 . 1 1 106 106 LEU H H 106 7.439 7.439 8.158 -0.719 25536 4937 1 10 . 1 1 107 107 VAL N N 107 122.739 122.739 125.200 -2.461 25536 4938 1 10 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.366 -0.158 25536 4939 1 10 . 1 1 107 107 VAL C C 107 176.054 176.054 175.366 0.688 25536 4940 1 10 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.407 0.809 25536 4941 1 10 . 1 1 107 107 VAL CB C 107 33.580 33.580 34.169 -0.589 25536 4942 1 10 . 1 1 107 107 VAL H H 107 8.182 8.182 8.237 -0.055 25536 4943 1 10 . 1 1 108 108 THR N N 108 120.854 120.854 120.497 0.357 25536 4944 1 10 . 1 1 108 108 THR HA H 108 4.336 4.336 4.505 -0.169 25536 4945 1 10 . 1 1 108 108 THR C C 108 174.216 174.216 174.231 -0.015 25536 4946 1 10 . 1 1 108 108 THR CA C 108 62.726 62.726 60.630 2.096 25536 4947 1 10 . 1 1 108 108 THR CB C 108 70.080 70.080 69.840 0.240 25536 4948 1 10 . 1 1 108 108 THR H H 108 8.524 8.524 8.116 0.408 25536 4949 1 10 . 1 1 109 109 LEU N N 109 125.529 125.529 122.582 2.947 25536 4950 1 10 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.405 -0.053 25536 4951 1 10 . 1 1 109 109 LEU C C 109 176.523 176.523 176.096 0.427 25536 4952 1 10 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.286 -0.239 25536 4953 1 10 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.412 0.178 25536 4954 1 10 . 1 1 109 109 LEU H H 109 8.313 8.313 8.328 -0.015 25536 4955 1 10 . 1 1 110 110 ALA N N 110 125.099 125.099 126.826 -1.727 25536 4956 1 10 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.582 -0.216 25536 4957 1 10 . 1 1 110 110 ALA C C 110 176.847 176.847 176.555 0.292 25536 4958 1 10 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.910 0.718 25536 4959 1 10 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.950 -0.244 25536 4960 1 10 . 1 1 110 110 ALA H H 110 8.257 8.257 8.133 0.124 25536 4961 1 11 . 1 1 24 24 ILE N N 24 120.668 120.668 120.875 -0.207 25536 4962 1 11 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.359 -0.212 25536 4963 1 11 . 1 1 24 24 ILE C C 24 175.650 175.650 175.258 0.392 25536 4964 1 11 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.256 0.086 25536 4965 1 11 . 1 1 24 24 ILE CB C 24 39.067 39.067 39.324 -0.257 25536 4966 1 11 . 1 1 24 24 ILE H H 24 8.119 8.119 8.424 -0.305 25536 4967 1 11 . 1 1 25 25 ASN N N 25 122.032 122.032 121.932 0.100 25536 4968 1 11 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.862 -0.158 25536 4969 1 11 . 1 1 25 25 ASN C C 25 174.775 174.775 174.195 0.580 25536 4970 1 11 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.823 0.907 25536 4971 1 11 . 1 1 25 25 ASN CB C 25 39.406 39.406 38.738 0.668 25536 4972 1 11 . 1 1 25 25 ASN H H 25 8.446 8.446 8.622 -0.176 25536 4973 1 11 . 1 1 26 26 GLN N N 26 118.655 118.655 118.516 0.139 25536 4974 1 11 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.680 -0.093 25536 4975 1 11 . 1 1 26 26 GLN C C 26 175.291 175.291 174.565 0.726 25536 4976 1 11 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.261 1.441 25536 4977 1 11 . 1 1 26 26 GLN CB C 26 32.258 32.258 31.595 0.663 25536 4978 1 11 . 1 1 26 26 GLN H H 26 8.215 8.215 7.602 0.613 25536 4979 1 11 . 1 1 27 27 VAL N N 27 113.749 113.749 120.913 -7.164 25536 4980 1 11 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.294 0.573 25536 4981 1 11 . 1 1 27 27 VAL C C 27 173.900 173.900 174.998 -1.098 25536 4982 1 11 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.414 -1.298 25536 4983 1 11 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.609 2.495 25536 4984 1 11 . 1 1 27 27 VAL H H 27 9.417 9.417 8.373 1.044 25536 4985 1 11 . 1 1 28 28 ARG N N 28 121.515 121.515 124.853 -3.338 25536 4986 1 11 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.221 0.236 25536 4987 1 11 . 1 1 28 28 ARG C C 28 175.090 175.090 175.172 -0.082 25536 4988 1 11 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.648 -1.077 25536 4989 1 11 . 1 1 28 28 ARG CB C 28 33.674 33.674 30.097 3.577 25536 4990 1 11 . 1 1 28 28 ARG H H 28 8.901 8.901 8.414 0.487 25536 4991 1 11 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.638 0.357 25536 4992 1 11 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.045 0.007 25536 4993 1 11 . 1 1 29 29 PRO CB C 29 32.261 32.261 33.117 -0.856 25536 4994 1 11 . 1 1 30 30 LYS N N 30 121.291 121.291 118.909 2.382 25536 4995 1 11 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.180 0.021 25536 4996 1 11 . 1 1 30 30 LYS C C 30 177.557 177.557 178.718 -1.161 25536 4997 1 11 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.305 1.417 25536 4998 1 11 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.848 0.147 25536 4999 1 11 . 1 1 30 30 LYS H H 30 8.476 8.476 8.044 0.432 25536 5000 1 11 . 1 1 31 31 LEU N N 31 121.578 121.578 123.849 -2.271 25536 5001 1 11 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.147 -0.092 25536 5002 1 11 . 1 1 31 31 LEU C C 31 174.261 174.261 175.818 -1.557 25536 5003 1 11 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.571 0.625 25536 5004 1 11 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.591 0.259 25536 5005 1 11 . 1 1 31 31 LEU H H 31 8.584 8.584 8.935 -0.351 25536 5006 1 11 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.153 -0.020 25536 5007 1 11 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.908 0.670 25536 5008 1 11 . 1 1 32 32 PRO CB C 32 31.477 31.477 30.962 0.515 25536 5009 1 11 . 1 1 33 33 LEU N N 33 113.190 113.190 119.324 -6.134 25536 5010 1 11 . 1 1 33 33 LEU HA H 33 3.975 3.975 3.918 0.057 25536 5011 1 11 . 1 1 33 33 LEU C C 33 177.726 177.726 178.707 -0.981 25536 5012 1 11 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.798 -1.658 25536 5013 1 11 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.723 0.124 25536 5014 1 11 . 1 1 33 33 LEU H H 33 6.605 6.605 7.483 -0.878 25536 5015 1 11 . 1 1 34 34 LEU N N 34 121.683 121.683 119.830 1.853 25536 5016 1 11 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.883 -0.501 25536 5017 1 11 . 1 1 34 34 LEU C C 34 177.321 177.321 178.670 -1.349 25536 5018 1 11 . 1 1 34 34 LEU CA C 34 58.237 58.237 58.039 0.198 25536 5019 1 11 . 1 1 34 34 LEU CB C 34 41.911 41.911 40.913 0.998 25536 5020 1 11 . 1 1 34 34 LEU H H 34 8.399 8.399 8.330 0.069 25536 5021 1 11 . 1 1 35 35 LYS N N 35 114.524 114.524 119.529 -5.005 25536 5022 1 11 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.011 -0.218 25536 5023 1 11 . 1 1 35 35 LYS C C 35 180.207 180.207 179.119 1.088 25536 5024 1 11 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.572 0.499 25536 5025 1 11 . 1 1 35 35 LYS CB C 35 32.469 32.469 32.153 0.316 25536 5026 1 11 . 1 1 35 35 LYS H H 35 7.940 7.940 8.308 -0.368 25536 5027 1 11 . 1 1 36 36 ILE N N 36 119.857 119.857 120.333 -0.476 25536 5028 1 11 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.440 -0.136 25536 5029 1 11 . 1 1 36 36 ILE C C 36 176.418 176.418 177.880 -1.462 25536 5030 1 11 . 1 1 36 36 ILE CA C 36 64.480 64.480 65.462 -0.982 25536 5031 1 11 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.605 -0.001 25536 5032 1 11 . 1 1 36 36 ILE H H 36 6.742 6.742 7.509 -0.767 25536 5033 1 11 . 1 1 37 37 LEU N N 37 116.695 116.695 119.232 -2.537 25536 5034 1 11 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.894 -0.372 25536 5035 1 11 . 1 1 37 37 LEU C C 37 180.263 180.263 179.407 0.856 25536 5036 1 11 . 1 1 37 37 LEU CA C 37 58.280 58.280 57.980 0.300 25536 5037 1 11 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.763 -1.625 25536 5038 1 11 . 1 1 37 37 LEU H H 37 7.595 7.595 8.100 -0.505 25536 5039 1 11 . 1 1 38 38 HIS N N 38 117.829 117.829 118.002 -0.173 25536 5040 1 11 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.237 0.445 25536 5041 1 11 . 1 1 38 38 HIS C C 38 180.133 180.133 178.002 2.131 25536 5042 1 11 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.655 -1.364 25536 5043 1 11 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.262 1.149 25536 5044 1 11 . 1 1 38 38 HIS H H 38 8.955 8.955 8.681 0.274 25536 5045 1 11 . 1 1 39 39 ALA N N 39 124.006 124.006 121.842 2.164 25536 5046 1 11 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.232 0.014 25536 5047 1 11 . 1 1 39 39 ALA C C 39 178.835 178.835 178.530 0.305 25536 5048 1 11 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.489 0.596 25536 5049 1 11 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.460 -0.349 25536 5050 1 11 . 1 1 39 39 ALA H H 39 7.945 7.945 8.313 -0.368 25536 5051 1 11 . 1 1 40 40 ALA N N 40 118.201 118.201 119.240 -1.039 25536 5052 1 11 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.390 0.031 25536 5053 1 11 . 1 1 40 40 ALA C C 40 176.261 176.261 178.067 -1.806 25536 5054 1 11 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.569 -0.433 25536 5055 1 11 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.212 0.900 25536 5056 1 11 . 1 1 40 40 ALA H H 40 7.665 7.665 7.608 0.057 25536 5057 1 11 . 1 1 41 41 GLY N N 41 103.920 103.920 107.299 -3.379 25536 5058 1 11 . 1 1 41 41 GLY C C 41 174.412 174.412 174.297 0.115 25536 5059 1 11 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.645 0.322 25536 5060 1 11 . 1 1 41 41 GLY H H 41 7.683 7.683 7.684 -0.001 25536 5061 1 11 . 1 1 42 42 ALA N N 42 123.582 123.582 121.916 1.666 25536 5062 1 11 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.313 0.322 25536 5063 1 11 . 1 1 42 42 ALA C C 42 175.772 175.772 177.140 -1.368 25536 5064 1 11 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.937 0.743 25536 5065 1 11 . 1 1 42 42 ALA CB C 42 19.356 19.356 18.799 0.557 25536 5066 1 11 . 1 1 42 42 ALA H H 42 7.578 7.578 7.528 0.050 25536 5067 1 11 . 1 1 43 43 GLN N N 43 116.996 116.996 124.294 -7.298 25536 5068 1 11 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.452 -0.103 25536 5069 1 11 . 1 1 43 43 GLN C C 43 175.528 175.528 175.639 -0.111 25536 5070 1 11 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.516 -0.865 25536 5071 1 11 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.174 3.240 25536 5072 1 11 . 1 1 43 43 GLN H H 43 8.481 8.481 8.352 0.129 25536 5073 1 11 . 1 1 44 44 GLY N N 44 108.128 108.128 106.576 1.552 25536 5074 1 11 . 1 1 44 44 GLY C C 44 173.892 173.892 172.454 1.438 25536 5075 1 11 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.445 -0.747 25536 5076 1 11 . 1 1 44 44 GLY H H 44 8.510 8.510 7.789 0.721 25536 5077 1 11 . 1 1 45 45 GLU N N 45 114.113 114.113 119.260 -5.147 25536 5078 1 11 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.471 0.137 25536 5079 1 11 . 1 1 45 45 GLU C C 45 174.007 174.007 174.498 -0.491 25536 5080 1 11 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.766 1.063 25536 5081 1 11 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.443 1.608 25536 5082 1 11 . 1 1 45 45 GLU H H 45 8.245 8.245 8.276 -0.031 25536 5083 1 11 . 1 1 46 46 MET N N 46 115.322 115.322 117.803 -2.481 25536 5084 1 11 . 1 1 46 46 MET HA H 46 5.051 5.051 4.312 0.739 25536 5085 1 11 . 1 1 46 46 MET C C 46 174.637 174.637 173.994 0.643 25536 5086 1 11 . 1 1 46 46 MET CA C 46 54.264 54.264 54.287 -0.023 25536 5087 1 11 . 1 1 46 46 MET CB C 46 35.854 35.854 34.524 1.330 25536 5088 1 11 . 1 1 46 46 MET H H 46 6.872 6.872 6.900 -0.028 25536 5089 1 11 . 1 1 47 47 PHE N N 47 119.008 119.008 119.871 -0.863 25536 5090 1 11 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.022 0.072 25536 5091 1 11 . 1 1 47 47 PHE C C 47 175.742 175.742 173.829 1.913 25536 5092 1 11 . 1 1 47 47 PHE CA C 47 57.338 57.338 56.040 1.298 25536 5093 1 11 . 1 1 47 47 PHE CB C 47 46.912 46.912 40.978 5.934 25536 5094 1 11 . 1 1 47 47 PHE H H 47 8.623 8.623 8.886 -0.263 25536 5095 1 11 . 1 1 48 48 THR N N 48 110.544 110.544 111.482 -0.938 25536 5096 1 11 . 1 1 48 48 THR HA H 48 4.990 4.990 4.560 0.430 25536 5097 1 11 . 1 1 48 48 THR C C 48 176.666 176.666 175.831 0.835 25536 5098 1 11 . 1 1 48 48 THR CA C 48 61.095 61.095 60.805 0.290 25536 5099 1 11 . 1 1 48 48 THR CB C 48 71.136 71.136 70.095 1.041 25536 5100 1 11 . 1 1 48 48 THR H H 48 9.108 9.108 8.405 0.703 25536 5101 1 11 . 1 1 49 49 VAL N N 49 121.588 121.588 123.245 -1.657 25536 5102 1 11 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.651 -0.270 25536 5103 1 11 . 1 1 49 49 VAL C C 49 177.726 177.726 176.880 0.846 25536 5104 1 11 . 1 1 49 49 VAL CA C 49 68.241 68.241 66.931 1.310 25536 5105 1 11 . 1 1 49 49 VAL CB C 49 31.555 31.555 32.022 -0.467 25536 5106 1 11 . 1 1 49 49 VAL H H 49 9.044 9.044 9.125 -0.081 25536 5107 1 11 . 1 1 50 50 LYS N N 50 118.341 118.341 115.475 2.866 25536 5108 1 11 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.047 -0.088 25536 5109 1 11 . 1 1 50 50 LYS C C 50 180.060 180.060 177.384 2.676 25536 5110 1 11 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.294 1.062 25536 5111 1 11 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.545 1.294 25536 5112 1 11 . 1 1 50 50 LYS H H 50 8.132 8.132 8.374 -0.242 25536 5113 1 11 . 1 1 51 51 GLU N N 51 119.521 119.521 119.461 0.060 25536 5114 1 11 . 1 1 51 51 GLU HA H 51 4.046 4.046 4.034 0.012 25536 5115 1 11 . 1 1 51 51 GLU C C 51 178.583 178.583 178.449 0.134 25536 5116 1 11 . 1 1 51 51 GLU CA C 51 59.903 59.903 57.988 1.915 25536 5117 1 11 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.908 1.548 25536 5118 1 11 . 1 1 51 51 GLU H H 51 7.877 7.877 7.686 0.191 25536 5119 1 11 . 1 1 52 52 VAL N N 52 119.044 119.044 118.564 0.480 25536 5120 1 11 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.559 -0.309 25536 5121 1 11 . 1 1 52 52 VAL C C 52 177.546 177.546 178.034 -0.488 25536 5122 1 11 . 1 1 52 52 VAL CA C 52 67.901 67.901 66.122 1.779 25536 5123 1 11 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.262 0.115 25536 5124 1 11 . 1 1 52 52 VAL H H 52 8.245 8.245 8.248 -0.003 25536 5125 1 11 . 1 1 53 53 MET N N 53 114.669 114.669 116.545 -1.876 25536 5126 1 11 . 1 1 53 53 MET HA H 53 4.198 4.198 4.109 0.089 25536 5127 1 11 . 1 1 53 53 MET C C 53 178.699 178.699 177.443 1.256 25536 5128 1 11 . 1 1 53 53 MET CA C 53 57.748 57.748 58.498 -0.750 25536 5129 1 11 . 1 1 53 53 MET CB C 53 32.680 32.680 32.046 0.634 25536 5130 1 11 . 1 1 53 53 MET H H 53 8.188 8.188 8.149 0.039 25536 5131 1 11 . 1 1 54 54 HIS N N 54 118.909 118.909 121.186 -2.277 25536 5132 1 11 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.162 -0.045 25536 5133 1 11 . 1 1 54 54 HIS C C 54 178.675 178.675 177.062 1.613 25536 5134 1 11 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.563 -0.291 25536 5135 1 11 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.902 0.695 25536 5136 1 11 . 1 1 54 54 HIS H H 54 8.091 8.091 7.505 0.586 25536 5137 1 11 . 1 1 55 55 TYR N N 55 116.769 116.769 117.746 -0.977 25536 5138 1 11 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.196 -0.344 25536 5139 1 11 . 1 1 55 55 TYR C C 55 177.794 177.794 178.108 -0.314 25536 5140 1 11 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.781 2.936 25536 5141 1 11 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.113 2.016 25536 5142 1 11 . 1 1 55 55 TYR H H 55 8.468 8.468 7.676 0.792 25536 5143 1 11 . 1 1 56 56 LEU N N 56 120.819 120.819 120.505 0.314 25536 5144 1 11 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.888 -0.079 25536 5145 1 11 . 1 1 56 56 LEU C C 56 178.484 178.484 179.162 -0.678 25536 5146 1 11 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.814 0.808 25536 5147 1 11 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.115 1.466 25536 5148 1 11 . 1 1 56 56 LEU H H 56 8.455 8.455 7.457 0.998 25536 5149 1 11 . 1 1 57 57 GLY N N 57 104.896 104.896 106.734 -1.838 25536 5150 1 11 . 1 1 57 57 GLY C C 57 175.647 175.647 175.759 -0.112 25536 5151 1 11 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.206 0.033 25536 5152 1 11 . 1 1 57 57 GLY H H 57 7.691 7.691 8.081 -0.390 25536 5153 1 11 . 1 1 58 58 GLN N N 58 119.080 119.080 121.872 -2.792 25536 5154 1 11 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.968 -0.156 25536 5155 1 11 . 1 1 58 58 GLN C C 58 177.429 177.429 177.711 -0.282 25536 5156 1 11 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.501 0.177 25536 5157 1 11 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.366 0.509 25536 5158 1 11 . 1 1 58 58 GLN H H 58 7.704 7.704 8.111 -0.407 25536 5159 1 11 . 1 1 59 59 TYR N N 59 120.995 120.995 122.400 -1.405 25536 5160 1 11 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.222 -0.418 25536 5161 1 11 . 1 1 59 59 TYR C C 59 176.215 176.215 177.473 -1.258 25536 5162 1 11 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.224 0.341 25536 5163 1 11 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.750 -0.131 25536 5164 1 11 . 1 1 59 59 TYR H H 59 8.500 8.500 8.100 0.400 25536 5165 1 11 . 1 1 60 60 ILE N N 60 116.532 116.532 119.345 -2.813 25536 5166 1 11 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.634 -0.331 25536 5167 1 11 . 1 1 60 60 ILE C C 60 177.952 177.952 178.300 -0.348 25536 5168 1 11 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.946 -0.399 25536 5169 1 11 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.966 0.465 25536 5170 1 11 . 1 1 60 60 ILE H H 60 7.585 7.585 8.780 -1.195 25536 5171 1 11 . 1 1 61 61 MET N N 61 115.556 115.556 119.607 -4.051 25536 5172 1 11 . 1 1 61 61 MET HA H 61 4.547 4.547 4.309 0.238 25536 5173 1 11 . 1 1 61 61 MET C C 61 180.579 180.579 178.458 2.121 25536 5174 1 11 . 1 1 61 61 MET CA C 61 57.563 57.563 58.390 -0.827 25536 5175 1 11 . 1 1 61 61 MET CB C 61 31.473 31.473 31.851 -0.378 25536 5176 1 11 . 1 1 61 61 MET H H 61 7.707 7.707 8.136 -0.429 25536 5177 1 11 . 1 1 62 62 VAL N N 62 120.872 120.872 119.793 1.079 25536 5178 1 11 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.832 -0.004 25536 5179 1 11 . 1 1 62 62 VAL C C 62 178.786 178.786 177.615 1.171 25536 5180 1 11 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.893 1.219 25536 5181 1 11 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.013 -0.022 25536 5182 1 11 . 1 1 62 62 VAL H H 62 9.009 9.009 8.468 0.541 25536 5183 1 11 . 1 1 63 63 LYS N N 63 116.652 116.652 117.488 -0.836 25536 5184 1 11 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.122 -0.065 25536 5185 1 11 . 1 1 63 63 LYS C C 63 174.784 174.784 175.880 -1.096 25536 5186 1 11 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.603 0.480 25536 5187 1 11 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.008 -0.546 25536 5188 1 11 . 1 1 63 63 LYS H H 63 7.812 7.812 8.101 -0.289 25536 5189 1 11 . 1 1 64 64 GLN N N 64 115.445 115.445 114.914 0.531 25536 5190 1 11 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.946 -0.340 25536 5191 1 11 . 1 1 64 64 GLN C C 64 175.550 175.550 175.097 0.453 25536 5192 1 11 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.425 0.554 25536 5193 1 11 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.385 0.863 25536 5194 1 11 . 1 1 64 64 GLN H H 64 7.642 7.642 7.892 -0.250 25536 5195 1 11 . 1 1 65 65 LEU N N 65 115.724 115.724 118.646 -2.922 25536 5196 1 11 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.462 -0.005 25536 5197 1 11 . 1 1 65 65 LEU C C 65 175.979 175.979 175.730 0.249 25536 5198 1 11 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.343 0.311 25536 5199 1 11 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.873 0.077 25536 5200 1 11 . 1 1 65 65 LEU H H 65 8.097 8.097 7.623 0.474 25536 5201 1 11 . 1 1 66 66 TYR N N 66 112.953 112.953 114.542 -1.589 25536 5202 1 11 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.201 0.091 25536 5203 1 11 . 1 1 66 66 TYR C C 66 173.941 173.941 174.336 -0.395 25536 5204 1 11 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.606 1.023 25536 5205 1 11 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.995 -1.247 25536 5206 1 11 . 1 1 66 66 TYR H H 66 6.856 6.856 6.914 -0.058 25536 5207 1 11 . 1 1 67 67 ASP N N 67 122.196 122.196 121.704 0.492 25536 5208 1 11 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.814 -0.376 25536 5209 1 11 . 1 1 67 67 ASP C C 67 176.779 176.779 177.854 -1.075 25536 5210 1 11 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.694 0.285 25536 5211 1 11 . 1 1 67 67 ASP CB C 67 43.532 43.532 42.741 0.791 25536 5212 1 11 . 1 1 67 67 ASP H H 67 8.324 8.324 8.158 0.166 25536 5213 1 11 . 1 1 68 68 GLN N N 68 123.042 123.042 125.114 -2.072 25536 5214 1 11 . 1 1 68 68 GLN HA H 68 3.886 3.886 3.999 -0.113 25536 5215 1 11 . 1 1 68 68 GLN C C 68 177.122 177.122 176.987 0.135 25536 5216 1 11 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.566 0.466 25536 5217 1 11 . 1 1 68 68 GLN CB C 68 29.087 29.087 27.776 1.311 25536 5218 1 11 . 1 1 68 68 GLN H H 68 8.563 8.563 8.859 -0.296 25536 5219 1 11 . 1 1 69 69 GLN N N 69 115.263 115.263 117.911 -2.648 25536 5220 1 11 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.317 0.040 25536 5221 1 11 . 1 1 69 69 GLN C C 69 176.272 176.272 176.487 -0.215 25536 5222 1 11 . 1 1 69 69 GLN CA C 69 57.129 57.129 56.801 0.328 25536 5223 1 11 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.668 0.457 25536 5224 1 11 . 1 1 69 69 GLN H H 69 8.356 8.356 8.300 0.056 25536 5225 1 11 . 1 1 70 70 GLU N N 70 122.549 122.549 119.446 3.103 25536 5226 1 11 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.473 0.046 25536 5227 1 11 . 1 1 70 70 GLU C C 70 175.953 175.953 175.939 0.014 25536 5228 1 11 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.606 -0.649 25536 5229 1 11 . 1 1 70 70 GLU CB C 70 29.560 29.560 30.106 -0.546 25536 5230 1 11 . 1 1 70 70 GLU H H 70 8.227 8.227 7.579 0.648 25536 5231 1 11 . 1 1 71 71 GLN N N 71 118.815 118.815 121.673 -2.858 25536 5232 1 11 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.198 0.354 25536 5233 1 11 . 1 1 71 71 GLN C C 71 174.842 174.842 176.448 -1.606 25536 5234 1 11 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.513 1.184 25536 5235 1 11 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.491 -0.561 25536 5236 1 11 . 1 1 71 71 GLN H H 71 8.253 8.253 8.777 -0.524 25536 5237 1 11 . 1 1 72 72 HIS N N 72 111.141 111.141 110.477 0.664 25536 5238 1 11 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.470 -0.297 25536 5239 1 11 . 1 1 72 72 HIS C C 72 173.749 173.749 174.554 -0.805 25536 5240 1 11 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.602 0.657 25536 5241 1 11 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.347 1.725 25536 5242 1 11 . 1 1 72 72 HIS H H 72 7.412 7.412 7.511 -0.099 25536 5243 1 11 . 1 1 73 73 MET N N 73 119.350 119.350 120.572 -1.222 25536 5244 1 11 . 1 1 73 73 MET HA H 73 4.584 4.584 4.502 0.082 25536 5245 1 11 . 1 1 73 73 MET C C 73 174.311 174.311 173.781 0.530 25536 5246 1 11 . 1 1 73 73 MET CA C 73 53.186 53.186 53.011 0.175 25536 5247 1 11 . 1 1 73 73 MET CB C 73 31.731 31.731 33.768 -2.037 25536 5248 1 11 . 1 1 73 73 MET H H 73 7.766 7.766 7.566 0.200 25536 5249 1 11 . 1 1 74 74 VAL N N 74 122.542 122.542 126.664 -4.122 25536 5250 1 11 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.353 -0.405 25536 5251 1 11 . 1 1 74 74 VAL C C 74 174.756 174.756 174.315 0.441 25536 5252 1 11 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.842 0.780 25536 5253 1 11 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.450 0.364 25536 5254 1 11 . 1 1 74 74 VAL H H 74 8.456 8.456 8.511 -0.055 25536 5255 1 11 . 1 1 75 75 TYR N N 75 125.680 125.680 126.770 -1.090 25536 5256 1 11 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.181 -0.422 25536 5257 1 11 . 1 1 75 75 TYR C C 75 174.923 174.923 175.455 -0.532 25536 5258 1 11 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.035 0.777 25536 5259 1 11 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.904 -0.055 25536 5260 1 11 . 1 1 75 75 TYR H H 75 8.213 8.213 8.983 -0.770 25536 5261 1 11 . 1 1 76 76 CYS N N 76 116.702 116.702 121.206 -4.504 25536 5262 1 11 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.665 0.074 25536 5263 1 11 . 1 1 76 76 CYS C C 76 174.231 174.231 175.341 -1.110 25536 5264 1 11 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.376 -2.273 25536 5265 1 11 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.964 1.733 25536 5266 1 11 . 1 1 76 76 CYS H H 76 8.307 8.307 8.750 -0.443 25536 5267 1 11 . 1 1 77 77 GLY N N 77 111.569 111.569 109.397 2.172 25536 5268 1 11 . 1 1 77 77 GLY C C 77 174.662 174.662 174.989 -0.327 25536 5269 1 11 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.689 0.460 25536 5270 1 11 . 1 1 77 77 GLY H H 77 8.484 8.484 7.744 0.740 25536 5271 1 11 . 1 1 78 78 GLY N N 78 113.022 113.022 112.897 0.125 25536 5272 1 11 . 1 1 78 78 GLY C C 78 172.811 172.811 174.296 -1.485 25536 5273 1 11 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.889 0.871 25536 5274 1 11 . 1 1 78 78 GLY H H 78 8.889 8.889 8.631 0.258 25536 5275 1 11 . 1 1 79 79 ASP N N 79 119.431 119.431 120.280 -0.849 25536 5276 1 11 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.866 0.022 25536 5277 1 11 . 1 1 79 79 ASP C C 79 176.302 176.302 176.234 0.068 25536 5278 1 11 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.068 0.025 25536 5279 1 11 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.836 4.428 25536 5280 1 11 . 1 1 79 79 ASP H H 79 7.789 7.789 7.863 -0.074 25536 5281 1 11 . 1 1 80 80 LEU N N 80 128.421 128.421 124.026 4.395 25536 5282 1 11 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.150 -0.086 25536 5283 1 11 . 1 1 80 80 LEU C C 80 179.059 179.059 178.566 0.493 25536 5284 1 11 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.733 1.070 25536 5285 1 11 . 1 1 80 80 LEU CB C 80 42.403 42.403 41.830 0.573 25536 5286 1 11 . 1 1 80 80 LEU H H 80 8.549 8.549 9.024 -0.475 25536 5287 1 11 . 1 1 81 81 LEU N N 81 118.633 118.633 120.017 -1.384 25536 5288 1 11 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.991 -0.124 25536 5289 1 11 . 1 1 81 81 LEU C C 81 178.542 178.542 178.844 -0.302 25536 5290 1 11 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.973 0.798 25536 5291 1 11 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.167 1.482 25536 5292 1 11 . 1 1 81 81 LEU H H 81 9.973 9.973 8.892 1.081 25536 5293 1 11 . 1 1 82 82 GLY N N 82 105.564 105.564 106.063 -0.499 25536 5294 1 11 . 1 1 82 82 GLY C C 82 176.907 176.907 175.729 1.178 25536 5295 1 11 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.194 0.869 25536 5296 1 11 . 1 1 82 82 GLY H H 82 7.559 7.559 8.485 -0.926 25536 5297 1 11 . 1 1 83 83 GLU N N 83 121.706 121.706 122.517 -0.811 25536 5298 1 11 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.103 -0.121 25536 5299 1 11 . 1 1 83 83 GLU C C 83 179.215 179.215 178.459 0.756 25536 5300 1 11 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.760 0.401 25536 5301 1 11 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.499 -0.006 25536 5302 1 11 . 1 1 83 83 GLU H H 83 7.536 7.536 8.014 -0.478 25536 5303 1 11 . 1 1 84 84 LEU N N 84 118.455 118.455 120.631 -2.176 25536 5304 1 11 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.004 0.020 25536 5305 1 11 . 1 1 84 84 LEU C C 84 178.842 178.842 178.443 0.399 25536 5306 1 11 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.151 0.324 25536 5307 1 11 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.123 0.364 25536 5308 1 11 . 1 1 84 84 LEU H H 84 7.701 7.701 7.893 -0.192 25536 5309 1 11 . 1 1 85 85 LEU N N 85 115.271 115.271 115.101 0.170 25536 5310 1 11 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.979 -0.203 25536 5311 1 11 . 1 1 85 85 LEU C C 85 177.773 177.773 177.925 -0.152 25536 5312 1 11 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.075 0.300 25536 5313 1 11 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.526 1.367 25536 5314 1 11 . 1 1 85 85 LEU H H 85 8.117 8.117 7.948 0.169 25536 5315 1 11 . 1 1 86 86 GLY N N 86 107.216 107.216 105.094 2.122 25536 5316 1 11 . 1 1 86 86 GLY C C 86 174.090 174.090 173.851 0.239 25536 5317 1 11 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.302 1.013 25536 5318 1 11 . 1 1 86 86 GLY H H 86 7.983 7.983 8.159 -0.176 25536 5319 1 11 . 1 1 87 87 ARG N N 87 113.296 113.296 116.605 -3.309 25536 5320 1 11 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.699 -0.045 25536 5321 1 11 . 1 1 87 87 ARG C C 87 174.720 174.720 174.791 -0.071 25536 5322 1 11 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.816 0.463 25536 5323 1 11 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.804 2.591 25536 5324 1 11 . 1 1 87 87 ARG H H 87 7.411 7.411 7.557 -0.146 25536 5325 1 11 . 1 1 88 88 GLN N N 88 115.575 115.575 120.268 -4.693 25536 5326 1 11 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.441 -0.388 25536 5327 1 11 . 1 1 88 88 GLN C C 88 175.946 175.946 175.143 0.803 25536 5328 1 11 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.046 0.366 25536 5329 1 11 . 1 1 88 88 GLN CB C 88 29.790 29.790 28.672 1.118 25536 5330 1 11 . 1 1 88 88 GLN H H 88 8.653 8.653 8.845 -0.192 25536 5331 1 11 . 1 1 89 89 SER N N 89 110.451 110.451 112.226 -1.775 25536 5332 1 11 . 1 1 89 89 SER HA H 89 5.428 5.428 5.311 0.117 25536 5333 1 11 . 1 1 89 89 SER C C 89 173.062 173.062 172.762 0.300 25536 5334 1 11 . 1 1 89 89 SER CA C 89 57.011 57.011 56.965 0.047 25536 5335 1 11 . 1 1 89 89 SER CB C 89 66.560 66.560 65.912 0.648 25536 5336 1 11 . 1 1 89 89 SER H H 89 7.625 7.625 7.610 0.015 25536 5337 1 11 . 1 1 90 90 PHE N N 90 115.159 115.159 116.403 -1.244 25536 5338 1 11 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.994 -0.309 25536 5339 1 11 . 1 1 90 90 PHE C C 90 170.337 170.337 172.549 -2.212 25536 5340 1 11 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.099 0.099 25536 5341 1 11 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.880 -0.468 25536 5342 1 11 . 1 1 90 90 PHE H H 90 8.549 8.549 8.072 0.477 25536 5343 1 11 . 1 1 91 91 SER N N 91 113.637 113.637 114.427 -0.790 25536 5344 1 11 . 1 1 91 91 SER HA H 91 5.350 5.350 4.933 0.417 25536 5345 1 11 . 1 1 91 91 SER C C 91 178.100 178.100 176.084 2.016 25536 5346 1 11 . 1 1 91 91 SER CA C 91 54.748 54.748 54.716 0.032 25536 5347 1 11 . 1 1 91 91 SER CB C 91 65.325 65.325 65.669 -0.344 25536 5348 1 11 . 1 1 91 91 SER H H 91 9.010 9.010 8.301 0.709 25536 5349 1 11 . 1 1 92 92 VAL N N 92 120.560 120.560 125.494 -4.934 25536 5350 1 11 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.883 0.025 25536 5351 1 11 . 1 1 92 92 VAL C C 92 175.704 175.704 176.615 -0.911 25536 5352 1 11 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.121 -1.121 25536 5353 1 11 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.127 -0.327 25536 5354 1 11 . 1 1 92 92 VAL H H 92 8.948 8.948 9.168 -0.220 25536 5355 1 11 . 1 1 93 93 LYS N N 93 116.481 116.481 117.042 -0.561 25536 5356 1 11 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.384 -0.437 25536 5357 1 11 . 1 1 93 93 LYS C C 93 177.088 177.088 176.359 0.729 25536 5358 1 11 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.291 1.408 25536 5359 1 11 . 1 1 93 93 LYS CB C 93 32.258 32.258 32.533 -0.275 25536 5360 1 11 . 1 1 93 93 LYS H H 93 8.086 8.086 7.654 0.431 25536 5361 1 11 . 1 1 94 94 ASP N N 94 114.885 114.885 119.013 -4.128 25536 5362 1 11 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.097 -0.155 25536 5363 1 11 . 1 1 94 94 ASP C C 94 173.021 173.021 175.075 -2.054 25536 5364 1 11 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.618 -0.029 25536 5365 1 11 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.687 -0.242 25536 5366 1 11 . 1 1 94 94 ASP H H 94 7.399 7.399 7.844 -0.445 25536 5367 1 11 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.817 -0.399 25536 5368 1 11 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.574 0.073 25536 5369 1 11 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.738 0.022 25536 5370 1 11 . 1 1 96 96 SER N N 96 118.790 118.790 117.093 1.697 25536 5371 1 11 . 1 1 96 96 SER HA H 96 4.219 4.219 4.364 -0.145 25536 5372 1 11 . 1 1 96 96 SER C C 96 173.615 173.615 174.112 -0.497 25536 5373 1 11 . 1 1 96 96 SER CA C 96 64.525 64.525 63.751 0.774 25536 5374 1 11 . 1 1 96 96 SER CB C 96 61.994 61.994 61.229 0.765 25536 5375 1 11 . 1 1 96 96 SER H H 96 8.052 8.052 8.775 -0.723 25536 5376 1 11 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.431 -0.084 25536 5377 1 11 . 1 1 97 97 PRO CA C 97 66.016 66.016 64.989 1.027 25536 5378 1 11 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.410 0.202 25536 5379 1 11 . 1 1 98 98 LEU N N 98 117.938 117.938 119.300 -1.362 25536 5380 1 11 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.888 -0.292 25536 5381 1 11 . 1 1 98 98 LEU C C 98 178.196 178.196 178.088 0.108 25536 5382 1 11 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.896 -0.612 25536 5383 1 11 . 1 1 98 98 LEU CB C 98 41.409 41.409 40.254 1.155 25536 5384 1 11 . 1 1 98 98 LEU H H 98 7.076 7.076 7.432 -0.356 25536 5385 1 11 . 1 1 99 99 TYR N N 99 117.957 117.957 117.363 0.594 25536 5386 1 11 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.072 0.078 25536 5387 1 11 . 1 1 99 99 TYR C C 99 178.767 178.767 178.222 0.545 25536 5388 1 11 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.774 -0.551 25536 5389 1 11 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.511 -0.474 25536 5390 1 11 . 1 1 99 99 TYR H H 99 7.547 7.547 7.340 0.207 25536 5391 1 11 . 1 1 100 100 ASP N N 100 119.536 119.536 120.053 -0.517 25536 5392 1 11 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.411 -0.085 25536 5393 1 11 . 1 1 100 100 ASP C C 100 177.737 177.737 178.064 -0.327 25536 5394 1 11 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.178 0.697 25536 5395 1 11 . 1 1 100 100 ASP CB C 100 41.141 41.141 41.013 0.128 25536 5396 1 11 . 1 1 100 100 ASP H H 100 8.292 8.292 7.653 0.639 25536 5397 1 11 . 1 1 101 101 MET N N 101 118.757 118.757 118.206 0.551 25536 5398 1 11 . 1 1 101 101 MET HA H 101 3.964 3.964 4.163 -0.199 25536 5399 1 11 . 1 1 101 101 MET C C 101 180.006 180.006 177.026 2.980 25536 5400 1 11 . 1 1 101 101 MET CA C 101 59.710 59.710 58.742 0.967 25536 5401 1 11 . 1 1 101 101 MET CB C 101 31.642 31.642 32.535 -0.893 25536 5402 1 11 . 1 1 101 101 MET H H 101 7.226 7.226 7.790 -0.564 25536 5403 1 11 . 1 1 102 102 LEU N N 102 121.624 121.624 118.645 2.979 25536 5404 1 11 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.079 -0.383 25536 5405 1 11 . 1 1 102 102 LEU C C 102 178.566 178.566 179.000 -0.434 25536 5406 1 11 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.973 1.954 25536 5407 1 11 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.574 -0.089 25536 5408 1 11 . 1 1 102 102 LEU H H 102 8.472 8.472 7.658 0.814 25536 5409 1 11 . 1 1 103 103 ARG N N 103 117.111 117.111 118.974 -1.863 25536 5410 1 11 . 1 1 103 103 ARG HA H 103 3.970 3.970 3.971 -0.001 25536 5411 1 11 . 1 1 103 103 ARG C C 103 178.818 178.818 178.410 0.408 25536 5412 1 11 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.672 -0.169 25536 5413 1 11 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.369 -0.074 25536 5414 1 11 . 1 1 103 103 ARG H H 103 7.932 7.932 8.358 -0.426 25536 5415 1 11 . 1 1 104 104 LYS N N 104 114.172 114.172 113.297 0.875 25536 5416 1 11 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.410 -0.188 25536 5417 1 11 . 1 1 104 104 LYS C C 104 177.556 177.556 176.976 0.580 25536 5418 1 11 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.318 1.642 25536 5419 1 11 . 1 1 104 104 LYS CB C 104 34.227 34.227 31.873 2.354 25536 5420 1 11 . 1 1 104 104 LYS H H 104 7.157 7.157 7.547 -0.390 25536 5421 1 11 . 1 1 105 105 ASN N N 105 114.145 114.145 116.853 -2.708 25536 5422 1 11 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.879 -0.148 25536 5423 1 11 . 1 1 105 105 ASN C C 105 172.822 172.822 173.674 -0.852 25536 5424 1 11 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.147 0.696 25536 5425 1 11 . 1 1 105 105 ASN CB C 105 42.645 42.645 41.953 0.692 25536 5426 1 11 . 1 1 105 105 ASN H H 105 7.665 7.665 7.942 -0.277 25536 5427 1 11 . 1 1 106 106 LEU N N 106 118.600 118.600 120.073 -1.473 25536 5428 1 11 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.772 -0.101 25536 5429 1 11 . 1 1 106 106 LEU C C 106 175.658 175.658 174.709 0.949 25536 5430 1 11 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.732 -0.574 25536 5431 1 11 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.059 -0.494 25536 5432 1 11 . 1 1 106 106 LEU H H 106 7.439 7.439 8.144 -0.705 25536 5433 1 11 . 1 1 107 107 VAL N N 107 122.739 122.739 126.316 -3.577 25536 5434 1 11 . 1 1 107 107 VAL HA H 107 4.208 4.208 3.990 0.218 25536 5435 1 11 . 1 1 107 107 VAL C C 107 176.054 176.054 175.956 0.098 25536 5436 1 11 . 1 1 107 107 VAL CA C 107 62.216 62.216 62.618 -0.402 25536 5437 1 11 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.246 1.334 25536 5438 1 11 . 1 1 107 107 VAL H H 107 8.182 8.182 8.999 -0.817 25536 5439 1 11 . 1 1 108 108 THR N N 108 120.854 120.854 112.278 8.576 25536 5440 1 11 . 1 1 108 108 THR HA H 108 4.336 4.336 4.061 0.275 25536 5441 1 11 . 1 1 108 108 THR C C 108 174.216 174.216 175.117 -0.901 25536 5442 1 11 . 1 1 108 108 THR CA C 108 62.726 62.726 63.881 -1.155 25536 5443 1 11 . 1 1 108 108 THR CB C 108 70.080 70.080 69.176 0.904 25536 5444 1 11 . 1 1 108 108 THR H H 108 8.524 8.524 7.526 0.998 25536 5445 1 11 . 1 1 109 109 LEU N N 109 125.529 125.529 123.059 2.470 25536 5446 1 11 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.176 0.176 25536 5447 1 11 . 1 1 109 109 LEU C C 109 176.523 176.523 176.063 0.460 25536 5448 1 11 . 1 1 109 109 LEU CA C 109 55.047 55.047 56.279 -1.232 25536 5449 1 11 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.006 0.584 25536 5450 1 11 . 1 1 109 109 LEU H H 109 8.313 8.313 8.587 -0.274 25536 5451 1 11 . 1 1 110 110 ALA N N 110 125.099 125.099 120.055 5.044 25536 5452 1 11 . 1 1 110 110 ALA HA H 110 4.366 4.366 3.991 0.375 25536 5453 1 11 . 1 1 110 110 ALA C C 110 176.847 176.847 176.968 -0.121 25536 5454 1 11 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.828 -0.200 25536 5455 1 11 . 1 1 110 110 ALA CB C 110 19.706 19.706 18.331 1.375 25536 5456 1 11 . 1 1 110 110 ALA H H 110 8.257 8.257 7.939 0.318 25536 5457 1 12 . 1 1 24 24 ILE N N 24 120.668 120.668 120.672 -0.004 25536 5458 1 12 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.436 -0.289 25536 5459 1 12 . 1 1 24 24 ILE C C 24 175.650 175.650 174.924 0.726 25536 5460 1 12 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.174 0.168 25536 5461 1 12 . 1 1 24 24 ILE CB C 24 39.067 39.067 39.408 -0.341 25536 5462 1 12 . 1 1 24 24 ILE H H 24 8.119 8.119 8.413 -0.294 25536 5463 1 12 . 1 1 25 25 ASN N N 25 122.032 122.032 122.163 -0.131 25536 5464 1 12 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.905 -0.201 25536 5465 1 12 . 1 1 25 25 ASN C C 25 174.775 174.775 174.123 0.652 25536 5466 1 12 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.770 0.960 25536 5467 1 12 . 1 1 25 25 ASN CB C 25 39.406 39.406 39.130 0.276 25536 5468 1 12 . 1 1 25 25 ASN H H 25 8.446 8.446 8.582 -0.136 25536 5469 1 12 . 1 1 26 26 GLN N N 26 118.655 118.655 118.619 0.036 25536 5470 1 12 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.554 0.033 25536 5471 1 12 . 1 1 26 26 GLN C C 26 175.291 175.291 174.516 0.775 25536 5472 1 12 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.322 1.380 25536 5473 1 12 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.258 -0.000 25536 5474 1 12 . 1 1 26 26 GLN H H 26 8.215 8.215 7.653 0.562 25536 5475 1 12 . 1 1 27 27 VAL N N 27 113.749 113.749 119.306 -5.557 25536 5476 1 12 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.371 0.496 25536 5477 1 12 . 1 1 27 27 VAL C C 27 173.900 173.900 174.672 -0.772 25536 5478 1 12 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.321 -1.205 25536 5479 1 12 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.105 1.998 25536 5480 1 12 . 1 1 27 27 VAL H H 27 9.417 9.417 8.247 1.170 25536 5481 1 12 . 1 1 28 28 ARG N N 28 121.515 121.515 123.151 -1.636 25536 5482 1 12 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.262 0.195 25536 5483 1 12 . 1 1 28 28 ARG C C 28 175.090 175.090 175.077 0.013 25536 5484 1 12 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.632 -1.061 25536 5485 1 12 . 1 1 28 28 ARG CB C 28 33.674 33.674 29.726 3.949 25536 5486 1 12 . 1 1 28 28 ARG H H 28 8.901 8.901 8.453 0.448 25536 5487 1 12 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.395 0.600 25536 5488 1 12 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.085 -0.033 25536 5489 1 12 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.677 -0.416 25536 5490 1 12 . 1 1 30 30 LYS N N 30 121.291 121.291 120.089 1.202 25536 5491 1 12 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.119 0.082 25536 5492 1 12 . 1 1 30 30 LYS C C 30 177.557 177.557 178.848 -1.291 25536 5493 1 12 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.584 1.139 25536 5494 1 12 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.614 0.381 25536 5495 1 12 . 1 1 30 30 LYS H H 30 8.476 8.476 8.153 0.323 25536 5496 1 12 . 1 1 31 31 LEU N N 31 121.578 121.578 124.657 -3.079 25536 5497 1 12 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.085 -0.030 25536 5498 1 12 . 1 1 31 31 LEU C C 31 174.261 174.261 176.364 -2.103 25536 5499 1 12 . 1 1 31 31 LEU CA C 31 60.196 60.196 60.155 0.041 25536 5500 1 12 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.248 0.602 25536 5501 1 12 . 1 1 31 31 LEU H H 31 8.584 8.584 8.930 -0.346 25536 5502 1 12 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.135 -0.002 25536 5503 1 12 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.790 0.788 25536 5504 1 12 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.127 0.350 25536 5505 1 12 . 1 1 33 33 LEU N N 33 113.190 113.190 119.048 -5.858 25536 5506 1 12 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.126 -0.151 25536 5507 1 12 . 1 1 33 33 LEU C C 33 177.726 177.726 178.673 -0.947 25536 5508 1 12 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.241 -1.101 25536 5509 1 12 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.621 0.226 25536 5510 1 12 . 1 1 33 33 LEU H H 33 6.605 6.605 7.455 -0.850 25536 5511 1 12 . 1 1 34 34 LEU N N 34 121.683 121.683 120.887 0.796 25536 5512 1 12 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.816 -0.434 25536 5513 1 12 . 1 1 34 34 LEU C C 34 177.321 177.321 178.102 -0.781 25536 5514 1 12 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.688 0.549 25536 5515 1 12 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.286 0.625 25536 5516 1 12 . 1 1 34 34 LEU H H 34 8.399 8.399 8.531 -0.132 25536 5517 1 12 . 1 1 35 35 LYS N N 35 114.524 114.524 119.212 -4.688 25536 5518 1 12 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.963 -0.170 25536 5519 1 12 . 1 1 35 35 LYS C C 35 180.207 180.207 178.750 1.457 25536 5520 1 12 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.497 0.574 25536 5521 1 12 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.834 0.635 25536 5522 1 12 . 1 1 35 35 LYS H H 35 7.940 7.940 8.291 -0.351 25536 5523 1 12 . 1 1 36 36 ILE N N 36 119.857 119.857 119.372 0.485 25536 5524 1 12 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.617 -0.313 25536 5525 1 12 . 1 1 36 36 ILE C C 36 176.418 176.418 177.806 -1.388 25536 5526 1 12 . 1 1 36 36 ILE CA C 36 64.480 64.480 63.513 0.968 25536 5527 1 12 . 1 1 36 36 ILE CB C 36 37.604 37.604 36.658 0.946 25536 5528 1 12 . 1 1 36 36 ILE H H 36 6.742 6.742 7.592 -0.850 25536 5529 1 12 . 1 1 37 37 LEU N N 37 116.695 116.695 119.775 -3.080 25536 5530 1 12 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.865 -0.343 25536 5531 1 12 . 1 1 37 37 LEU C C 37 180.263 180.263 179.547 0.716 25536 5532 1 12 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.439 -0.159 25536 5533 1 12 . 1 1 37 37 LEU CB C 37 39.138 39.138 41.134 -1.996 25536 5534 1 12 . 1 1 37 37 LEU H H 37 7.595 7.595 7.466 0.129 25536 5535 1 12 . 1 1 38 38 HIS N N 38 117.829 117.829 117.224 0.605 25536 5536 1 12 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.200 0.482 25536 5537 1 12 . 1 1 38 38 HIS C C 38 180.133 180.133 178.107 2.026 25536 5538 1 12 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.466 -1.175 25536 5539 1 12 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.193 1.218 25536 5540 1 12 . 1 1 38 38 HIS H H 38 8.955 8.955 8.566 0.389 25536 5541 1 12 . 1 1 39 39 ALA N N 39 124.006 124.006 121.813 2.193 25536 5542 1 12 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.230 0.016 25536 5543 1 12 . 1 1 39 39 ALA C C 39 178.835 178.835 178.541 0.294 25536 5544 1 12 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.502 0.583 25536 5545 1 12 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.445 -0.334 25536 5546 1 12 . 1 1 39 39 ALA H H 39 7.945 7.945 8.259 -0.314 25536 5547 1 12 . 1 1 40 40 ALA N N 40 118.201 118.201 119.431 -1.230 25536 5548 1 12 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.391 0.030 25536 5549 1 12 . 1 1 40 40 ALA C C 40 176.261 176.261 178.043 -1.782 25536 5550 1 12 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.525 -0.389 25536 5551 1 12 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.275 0.837 25536 5552 1 12 . 1 1 40 40 ALA H H 40 7.665 7.665 7.641 0.024 25536 5553 1 12 . 1 1 41 41 GLY N N 41 103.920 103.920 107.825 -3.905 25536 5554 1 12 . 1 1 41 41 GLY C C 41 174.412 174.412 174.103 0.309 25536 5555 1 12 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.789 0.178 25536 5556 1 12 . 1 1 41 41 GLY H H 41 7.683 7.683 7.744 -0.061 25536 5557 1 12 . 1 1 42 42 ALA N N 42 123.582 123.582 121.018 2.564 25536 5558 1 12 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.531 0.104 25536 5559 1 12 . 1 1 42 42 ALA C C 42 175.772 175.772 177.132 -1.360 25536 5560 1 12 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.275 1.405 25536 5561 1 12 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.371 -0.015 25536 5562 1 12 . 1 1 42 42 ALA H H 42 7.578 7.578 7.647 -0.069 25536 5563 1 12 . 1 1 43 43 GLN N N 43 116.996 116.996 120.643 -3.647 25536 5564 1 12 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.436 -0.087 25536 5565 1 12 . 1 1 43 43 GLN C C 43 175.528 175.528 175.555 -0.027 25536 5566 1 12 . 1 1 43 43 GLN CA C 43 54.651 54.651 54.879 -0.228 25536 5567 1 12 . 1 1 43 43 GLN CB C 43 32.414 32.414 28.988 3.426 25536 5568 1 12 . 1 1 43 43 GLN H H 43 8.481 8.481 8.554 -0.073 25536 5569 1 12 . 1 1 44 44 GLY N N 44 108.128 108.128 107.939 0.189 25536 5570 1 12 . 1 1 44 44 GLY C C 44 173.892 173.892 172.730 1.162 25536 5571 1 12 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.532 -0.834 25536 5572 1 12 . 1 1 44 44 GLY H H 44 8.510 8.510 7.579 0.931 25536 5573 1 12 . 1 1 45 45 GLU N N 45 114.113 114.113 119.119 -5.006 25536 5574 1 12 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.441 0.167 25536 5575 1 12 . 1 1 45 45 GLU C C 45 174.007 174.007 174.676 -0.669 25536 5576 1 12 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.789 1.040 25536 5577 1 12 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.502 1.549 25536 5578 1 12 . 1 1 45 45 GLU H H 45 8.245 8.245 8.234 0.011 25536 5579 1 12 . 1 1 46 46 MET N N 46 115.322 115.322 117.799 -2.477 25536 5580 1 12 . 1 1 46 46 MET HA H 46 5.051 5.051 4.369 0.682 25536 5581 1 12 . 1 1 46 46 MET C C 46 174.637 174.637 174.258 0.379 25536 5582 1 12 . 1 1 46 46 MET CA C 46 54.264 54.264 54.248 0.016 25536 5583 1 12 . 1 1 46 46 MET CB C 46 35.854 35.854 34.469 1.385 25536 5584 1 12 . 1 1 46 46 MET H H 46 6.872 6.872 7.002 -0.130 25536 5585 1 12 . 1 1 47 47 PHE N N 47 119.008 119.008 119.514 -0.506 25536 5586 1 12 . 1 1 47 47 PHE HA H 47 5.094 5.094 4.997 0.097 25536 5587 1 12 . 1 1 47 47 PHE C C 47 175.742 175.742 173.875 1.867 25536 5588 1 12 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.354 1.984 25536 5589 1 12 . 1 1 47 47 PHE CB C 47 46.912 46.912 40.561 6.351 25536 5590 1 12 . 1 1 47 47 PHE H H 47 8.623 8.623 8.924 -0.301 25536 5591 1 12 . 1 1 48 48 THR N N 48 110.544 110.544 111.081 -0.537 25536 5592 1 12 . 1 1 48 48 THR HA H 48 4.990 4.990 4.522 0.468 25536 5593 1 12 . 1 1 48 48 THR C C 48 176.666 176.666 176.264 0.402 25536 5594 1 12 . 1 1 48 48 THR CA C 48 61.095 61.095 60.964 0.131 25536 5595 1 12 . 1 1 48 48 THR CB C 48 71.136 71.136 70.403 0.732 25536 5596 1 12 . 1 1 48 48 THR H H 48 9.108 9.108 8.269 0.839 25536 5597 1 12 . 1 1 49 49 VAL N N 49 121.588 121.588 121.322 0.266 25536 5598 1 12 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.566 -0.185 25536 5599 1 12 . 1 1 49 49 VAL C C 49 177.726 177.726 177.673 0.053 25536 5600 1 12 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.834 0.407 25536 5601 1 12 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.662 -0.107 25536 5602 1 12 . 1 1 49 49 VAL H H 49 9.044 9.044 8.913 0.131 25536 5603 1 12 . 1 1 50 50 LYS N N 50 118.341 118.341 116.407 1.934 25536 5604 1 12 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.058 -0.099 25536 5605 1 12 . 1 1 50 50 LYS C C 50 180.060 180.060 178.300 1.760 25536 5606 1 12 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.103 1.253 25536 5607 1 12 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.829 1.010 25536 5608 1 12 . 1 1 50 50 LYS H H 50 8.132 8.132 8.480 -0.348 25536 5609 1 12 . 1 1 51 51 GLU N N 51 119.521 119.521 120.060 -0.539 25536 5610 1 12 . 1 1 51 51 GLU HA H 51 4.046 4.046 4.037 0.009 25536 5611 1 12 . 1 1 51 51 GLU C C 51 178.583 178.583 178.516 0.067 25536 5612 1 12 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.384 1.519 25536 5613 1 12 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.026 1.430 25536 5614 1 12 . 1 1 51 51 GLU H H 51 7.877 7.877 7.482 0.395 25536 5615 1 12 . 1 1 52 52 VAL N N 52 119.044 119.044 117.013 2.031 25536 5616 1 12 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.468 -0.218 25536 5617 1 12 . 1 1 52 52 VAL C C 52 177.546 177.546 178.171 -0.625 25536 5618 1 12 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.663 2.238 25536 5619 1 12 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.567 -0.190 25536 5620 1 12 . 1 1 52 52 VAL H H 52 8.245 8.245 8.364 -0.119 25536 5621 1 12 . 1 1 53 53 MET N N 53 114.669 114.669 116.471 -1.802 25536 5622 1 12 . 1 1 53 53 MET HA H 53 4.198 4.198 4.110 0.088 25536 5623 1 12 . 1 1 53 53 MET C C 53 178.699 178.699 177.301 1.398 25536 5624 1 12 . 1 1 53 53 MET CA C 53 57.748 57.748 57.239 0.509 25536 5625 1 12 . 1 1 53 53 MET CB C 53 32.680 32.680 31.370 1.310 25536 5626 1 12 . 1 1 53 53 MET H H 53 8.188 8.188 8.051 0.137 25536 5627 1 12 . 1 1 54 54 HIS N N 54 118.909 118.909 120.386 -1.477 25536 5628 1 12 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.133 -0.016 25536 5629 1 12 . 1 1 54 54 HIS C C 54 178.675 178.675 176.994 1.681 25536 5630 1 12 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.350 -0.078 25536 5631 1 12 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.620 0.977 25536 5632 1 12 . 1 1 54 54 HIS H H 54 8.091 8.091 7.323 0.768 25536 5633 1 12 . 1 1 55 55 TYR N N 55 116.769 116.769 116.847 -0.078 25536 5634 1 12 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.183 -0.331 25536 5635 1 12 . 1 1 55 55 TYR C C 55 177.794 177.794 177.811 -0.017 25536 5636 1 12 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.827 2.890 25536 5637 1 12 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.100 2.029 25536 5638 1 12 . 1 1 55 55 TYR H H 55 8.468 8.468 7.323 1.145 25536 5639 1 12 . 1 1 56 56 LEU N N 56 120.819 120.819 120.241 0.578 25536 5640 1 12 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.907 -0.098 25536 5641 1 12 . 1 1 56 56 LEU C C 56 178.484 178.484 179.077 -0.593 25536 5642 1 12 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.625 0.997 25536 5643 1 12 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.108 1.473 25536 5644 1 12 . 1 1 56 56 LEU H H 56 8.455 8.455 7.531 0.924 25536 5645 1 12 . 1 1 57 57 GLY N N 57 104.896 104.896 106.778 -1.882 25536 5646 1 12 . 1 1 57 57 GLY C C 57 175.647 175.647 175.754 -0.107 25536 5647 1 12 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.182 0.057 25536 5648 1 12 . 1 1 57 57 GLY H H 57 7.691 7.691 7.750 -0.059 25536 5649 1 12 . 1 1 58 58 GLN N N 58 119.080 119.080 121.948 -2.868 25536 5650 1 12 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.970 -0.158 25536 5651 1 12 . 1 1 58 58 GLN C C 58 177.429 177.429 177.749 -0.320 25536 5652 1 12 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.510 0.168 25536 5653 1 12 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.373 0.502 25536 5654 1 12 . 1 1 58 58 GLN H H 58 7.704 7.704 7.797 -0.093 25536 5655 1 12 . 1 1 59 59 TYR N N 59 120.995 120.995 122.328 -1.333 25536 5656 1 12 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.215 -0.411 25536 5657 1 12 . 1 1 59 59 TYR C C 59 176.215 176.215 177.536 -1.321 25536 5658 1 12 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.230 0.335 25536 5659 1 12 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.735 -0.116 25536 5660 1 12 . 1 1 59 59 TYR H H 59 8.500 8.500 8.224 0.276 25536 5661 1 12 . 1 1 60 60 ILE N N 60 116.532 116.532 119.263 -2.731 25536 5662 1 12 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.682 -0.379 25536 5663 1 12 . 1 1 60 60 ILE C C 60 177.952 177.952 178.268 -0.316 25536 5664 1 12 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.747 -0.200 25536 5665 1 12 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.976 0.455 25536 5666 1 12 . 1 1 60 60 ILE H H 60 7.585 7.585 8.752 -1.167 25536 5667 1 12 . 1 1 61 61 MET N N 61 115.556 115.556 119.584 -4.028 25536 5668 1 12 . 1 1 61 61 MET HA H 61 4.547 4.547 4.348 0.199 25536 5669 1 12 . 1 1 61 61 MET C C 61 180.579 180.579 178.004 2.575 25536 5670 1 12 . 1 1 61 61 MET CA C 61 57.563 57.563 58.211 -0.648 25536 5671 1 12 . 1 1 61 61 MET CB C 61 31.473 31.473 32.617 -1.143 25536 5672 1 12 . 1 1 61 61 MET H H 61 7.707 7.707 8.048 -0.341 25536 5673 1 12 . 1 1 62 62 VAL N N 62 120.872 120.872 118.469 2.403 25536 5674 1 12 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.756 0.072 25536 5675 1 12 . 1 1 62 62 VAL C C 62 178.786 178.786 177.401 1.385 25536 5676 1 12 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.534 1.578 25536 5677 1 12 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.173 -0.182 25536 5678 1 12 . 1 1 62 62 VAL H H 62 9.009 9.009 8.381 0.628 25536 5679 1 12 . 1 1 63 63 LYS N N 63 116.652 116.652 117.924 -1.272 25536 5680 1 12 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.138 -0.081 25536 5681 1 12 . 1 1 63 63 LYS C C 63 174.784 174.784 175.809 -1.025 25536 5682 1 12 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.669 0.414 25536 5683 1 12 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.132 -0.671 25536 5684 1 12 . 1 1 63 63 LYS H H 63 7.812 7.812 8.106 -0.294 25536 5685 1 12 . 1 1 64 64 GLN N N 64 115.445 115.445 115.048 0.397 25536 5686 1 12 . 1 1 64 64 GLN HA H 64 3.606 3.606 4.028 -0.422 25536 5687 1 12 . 1 1 64 64 GLN C C 64 175.550 175.550 175.177 0.373 25536 5688 1 12 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.466 0.513 25536 5689 1 12 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.349 0.899 25536 5690 1 12 . 1 1 64 64 GLN H H 64 7.642 7.642 7.964 -0.322 25536 5691 1 12 . 1 1 65 65 LEU N N 65 115.724 115.724 116.962 -1.238 25536 5692 1 12 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.359 0.098 25536 5693 1 12 . 1 1 65 65 LEU C C 65 175.979 175.979 176.571 -0.592 25536 5694 1 12 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.730 -0.076 25536 5695 1 12 . 1 1 65 65 LEU CB C 65 41.950 41.950 42.440 -0.490 25536 5696 1 12 . 1 1 65 65 LEU H H 65 8.097 8.097 7.624 0.473 25536 5697 1 12 . 1 1 66 66 TYR N N 66 112.953 112.953 114.454 -1.501 25536 5698 1 12 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.237 0.055 25536 5699 1 12 . 1 1 66 66 TYR C C 66 173.941 173.941 175.405 -1.464 25536 5700 1 12 . 1 1 66 66 TYR CA C 66 54.629 54.629 54.190 0.439 25536 5701 1 12 . 1 1 66 66 TYR CB C 66 39.748 39.748 39.834 -0.086 25536 5702 1 12 . 1 1 66 66 TYR H H 66 6.856 6.856 6.872 -0.017 25536 5703 1 12 . 1 1 67 67 ASP N N 67 122.196 122.196 121.189 1.007 25536 5704 1 12 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.754 -0.316 25536 5705 1 12 . 1 1 67 67 ASP C C 67 176.779 176.779 177.388 -0.609 25536 5706 1 12 . 1 1 67 67 ASP CA C 67 53.980 53.980 54.066 -0.086 25536 5707 1 12 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.153 0.379 25536 5708 1 12 . 1 1 67 67 ASP H H 67 8.324 8.324 8.515 -0.191 25536 5709 1 12 . 1 1 68 68 GLN N N 68 123.042 123.042 124.707 -1.665 25536 5710 1 12 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.107 -0.221 25536 5711 1 12 . 1 1 68 68 GLN C C 68 177.122 177.122 177.570 -0.448 25536 5712 1 12 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.470 0.561 25536 5713 1 12 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.479 0.608 25536 5714 1 12 . 1 1 68 68 GLN H H 68 8.563 8.563 8.786 -0.223 25536 5715 1 12 . 1 1 69 69 GLN N N 69 115.263 115.263 117.282 -2.019 25536 5716 1 12 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.268 0.089 25536 5717 1 12 . 1 1 69 69 GLN C C 69 176.272 176.272 176.342 -0.070 25536 5718 1 12 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.025 0.104 25536 5719 1 12 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.545 0.579 25536 5720 1 12 . 1 1 69 69 GLN H H 69 8.356 8.356 8.345 0.011 25536 5721 1 12 . 1 1 70 70 GLU N N 70 122.549 122.549 119.659 2.890 25536 5722 1 12 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.633 -0.114 25536 5723 1 12 . 1 1 70 70 GLU C C 70 175.953 175.953 176.457 -0.504 25536 5724 1 12 . 1 1 70 70 GLU CA C 70 54.957 54.957 56.035 -1.078 25536 5725 1 12 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.996 -0.436 25536 5726 1 12 . 1 1 70 70 GLU H H 70 8.227 8.227 7.559 0.667 25536 5727 1 12 . 1 1 71 71 GLN N N 71 118.815 118.815 124.492 -5.677 25536 5728 1 12 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.340 0.212 25536 5729 1 12 . 1 1 71 71 GLN C C 71 174.842 174.842 176.074 -1.232 25536 5730 1 12 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.133 1.564 25536 5731 1 12 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.143 -0.213 25536 5732 1 12 . 1 1 71 71 GLN H H 71 8.253 8.253 8.888 -0.635 25536 5733 1 12 . 1 1 72 72 HIS N N 72 111.141 111.141 115.204 -4.063 25536 5734 1 12 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.341 -0.168 25536 5735 1 12 . 1 1 72 72 HIS C C 72 173.749 173.749 175.743 -1.994 25536 5736 1 12 . 1 1 72 72 HIS CA C 72 56.259 56.259 57.690 -1.431 25536 5737 1 12 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.575 1.497 25536 5738 1 12 . 1 1 72 72 HIS H H 72 7.412 7.412 8.012 -0.600 25536 5739 1 12 . 1 1 73 73 MET N N 73 119.350 119.350 119.025 0.325 25536 5740 1 12 . 1 1 73 73 MET HA H 73 4.584 4.584 4.536 0.048 25536 5741 1 12 . 1 1 73 73 MET C C 73 174.311 174.311 175.035 -0.724 25536 5742 1 12 . 1 1 73 73 MET CA C 73 53.186 53.186 53.943 -0.757 25536 5743 1 12 . 1 1 73 73 MET CB C 73 31.731 31.731 31.393 0.338 25536 5744 1 12 . 1 1 73 73 MET H H 73 7.766 7.766 8.000 -0.234 25536 5745 1 12 . 1 1 74 74 VAL N N 74 122.542 122.542 124.071 -1.529 25536 5746 1 12 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.052 -0.104 25536 5747 1 12 . 1 1 74 74 VAL C C 74 174.756 174.756 174.221 0.535 25536 5748 1 12 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.430 0.192 25536 5749 1 12 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.295 0.519 25536 5750 1 12 . 1 1 74 74 VAL H H 74 8.456 8.456 8.443 0.013 25536 5751 1 12 . 1 1 75 75 TYR N N 75 125.680 125.680 126.439 -0.759 25536 5752 1 12 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.170 -0.411 25536 5753 1 12 . 1 1 75 75 TYR C C 75 174.923 174.923 175.244 -0.321 25536 5754 1 12 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.906 0.906 25536 5755 1 12 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.308 0.541 25536 5756 1 12 . 1 1 75 75 TYR H H 75 8.213 8.213 8.953 -0.740 25536 5757 1 12 . 1 1 76 76 CYS N N 76 116.702 116.702 120.573 -3.871 25536 5758 1 12 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.597 0.142 25536 5759 1 12 . 1 1 76 76 CYS C C 76 174.231 174.231 175.238 -1.007 25536 5760 1 12 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.512 -2.409 25536 5761 1 12 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.808 1.889 25536 5762 1 12 . 1 1 76 76 CYS H H 76 8.307 8.307 8.793 -0.486 25536 5763 1 12 . 1 1 77 77 GLY N N 77 111.569 111.569 109.185 2.384 25536 5764 1 12 . 1 1 77 77 GLY C C 77 174.662 174.662 175.264 -0.602 25536 5765 1 12 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.694 0.454 25536 5766 1 12 . 1 1 77 77 GLY H H 77 8.484 8.484 7.799 0.685 25536 5767 1 12 . 1 1 78 78 GLY N N 78 113.022 113.022 113.460 -0.438 25536 5768 1 12 . 1 1 78 78 GLY C C 78 172.811 172.811 174.118 -1.307 25536 5769 1 12 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.736 1.024 25536 5770 1 12 . 1 1 78 78 GLY H H 78 8.889 8.889 8.758 0.131 25536 5771 1 12 . 1 1 79 79 ASP N N 79 119.431 119.431 119.973 -0.542 25536 5772 1 12 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.781 0.107 25536 5773 1 12 . 1 1 79 79 ASP C C 79 176.302 176.302 176.700 -0.398 25536 5774 1 12 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.692 -0.599 25536 5775 1 12 . 1 1 79 79 ASP CB C 79 47.264 47.264 43.132 4.132 25536 5776 1 12 . 1 1 79 79 ASP H H 79 7.789 7.789 7.837 -0.048 25536 5777 1 12 . 1 1 80 80 LEU N N 80 128.421 128.421 125.532 2.889 25536 5778 1 12 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.151 -0.087 25536 5779 1 12 . 1 1 80 80 LEU C C 80 179.059 179.059 178.307 0.752 25536 5780 1 12 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.808 0.995 25536 5781 1 12 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.219 0.184 25536 5782 1 12 . 1 1 80 80 LEU H H 80 8.549 8.549 9.043 -0.494 25536 5783 1 12 . 1 1 81 81 LEU N N 81 118.633 118.633 119.798 -1.165 25536 5784 1 12 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.955 -0.088 25536 5785 1 12 . 1 1 81 81 LEU C C 81 178.542 178.542 178.325 0.217 25536 5786 1 12 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.002 0.769 25536 5787 1 12 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.249 1.400 25536 5788 1 12 . 1 1 81 81 LEU H H 81 9.973 9.973 8.701 1.272 25536 5789 1 12 . 1 1 82 82 GLY N N 82 105.564 105.564 105.402 0.162 25536 5790 1 12 . 1 1 82 82 GLY C C 82 176.907 176.907 175.809 1.098 25536 5791 1 12 . 1 1 82 82 GLY CA C 82 48.063 48.063 46.950 1.113 25536 5792 1 12 . 1 1 82 82 GLY H H 82 7.559 7.559 8.105 -0.546 25536 5793 1 12 . 1 1 83 83 GLU N N 83 121.706 121.706 122.556 -0.850 25536 5794 1 12 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.088 -0.106 25536 5795 1 12 . 1 1 83 83 GLU C C 83 179.215 179.215 178.595 0.620 25536 5796 1 12 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.782 0.379 25536 5797 1 12 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.491 0.002 25536 5798 1 12 . 1 1 83 83 GLU H H 83 7.536 7.536 8.092 -0.556 25536 5799 1 12 . 1 1 84 84 LEU N N 84 118.455 118.455 120.584 -2.129 25536 5800 1 12 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.041 -0.017 25536 5801 1 12 . 1 1 84 84 LEU C C 84 178.842 178.842 178.299 0.543 25536 5802 1 12 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.404 0.071 25536 5803 1 12 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.065 0.422 25536 5804 1 12 . 1 1 84 84 LEU H H 84 7.701 7.701 7.994 -0.293 25536 5805 1 12 . 1 1 85 85 LEU N N 85 115.271 115.271 115.415 -0.144 25536 5806 1 12 . 1 1 85 85 LEU HA H 85 3.776 3.776 4.021 -0.245 25536 5807 1 12 . 1 1 85 85 LEU C C 85 177.773 177.773 177.944 -0.171 25536 5808 1 12 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.000 0.375 25536 5809 1 12 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.640 1.253 25536 5810 1 12 . 1 1 85 85 LEU H H 85 8.117 8.117 7.965 0.152 25536 5811 1 12 . 1 1 86 86 GLY N N 86 107.216 107.216 105.268 1.948 25536 5812 1 12 . 1 1 86 86 GLY C C 86 174.090 174.090 173.816 0.274 25536 5813 1 12 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.305 1.010 25536 5814 1 12 . 1 1 86 86 GLY H H 86 7.983 7.983 8.118 -0.135 25536 5815 1 12 . 1 1 87 87 ARG N N 87 113.296 113.296 116.901 -3.605 25536 5816 1 12 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.806 -0.152 25536 5817 1 12 . 1 1 87 87 ARG C C 87 174.720 174.720 175.262 -0.542 25536 5818 1 12 . 1 1 87 87 ARG CA C 87 54.279 54.279 54.163 0.116 25536 5819 1 12 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.986 2.409 25536 5820 1 12 . 1 1 87 87 ARG H H 87 7.411 7.411 7.310 0.101 25536 5821 1 12 . 1 1 88 88 GLN N N 88 115.575 115.575 120.078 -4.503 25536 5822 1 12 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.319 -0.266 25536 5823 1 12 . 1 1 88 88 GLN C C 88 175.946 175.946 175.055 0.891 25536 5824 1 12 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.766 -0.354 25536 5825 1 12 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.049 0.741 25536 5826 1 12 . 1 1 88 88 GLN H H 88 8.653 8.653 8.894 -0.241 25536 5827 1 12 . 1 1 89 89 SER N N 89 110.451 110.451 112.485 -2.034 25536 5828 1 12 . 1 1 89 89 SER HA H 89 5.428 5.428 5.365 0.063 25536 5829 1 12 . 1 1 89 89 SER C C 89 173.062 173.062 172.762 0.300 25536 5830 1 12 . 1 1 89 89 SER CA C 89 57.011 57.011 57.217 -0.205 25536 5831 1 12 . 1 1 89 89 SER CB C 89 66.560 66.560 66.071 0.489 25536 5832 1 12 . 1 1 89 89 SER H H 89 7.625 7.625 7.650 -0.025 25536 5833 1 12 . 1 1 90 90 PHE N N 90 115.159 115.159 117.062 -1.903 25536 5834 1 12 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.911 -0.226 25536 5835 1 12 . 1 1 90 90 PHE C C 90 170.337 170.337 172.772 -2.435 25536 5836 1 12 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.226 -0.028 25536 5837 1 12 . 1 1 90 90 PHE CB C 90 40.412 40.412 41.050 -0.638 25536 5838 1 12 . 1 1 90 90 PHE H H 90 8.549 8.549 7.803 0.746 25536 5839 1 12 . 1 1 91 91 SER N N 91 113.637 113.637 113.521 0.116 25536 5840 1 12 . 1 1 91 91 SER HA H 91 5.350 5.350 5.358 -0.008 25536 5841 1 12 . 1 1 91 91 SER C C 91 178.100 178.100 175.499 2.601 25536 5842 1 12 . 1 1 91 91 SER CA C 91 54.748 54.748 56.263 -1.515 25536 5843 1 12 . 1 1 91 91 SER CB C 91 65.325 65.325 67.417 -2.092 25536 5844 1 12 . 1 1 91 91 SER H H 91 9.010 9.010 8.180 0.830 25536 5845 1 12 . 1 1 92 92 VAL N N 92 120.560 120.560 113.745 6.815 25536 5846 1 12 . 1 1 92 92 VAL HA H 92 3.908 3.908 4.059 -0.151 25536 5847 1 12 . 1 1 92 92 VAL C C 92 175.704 175.704 176.842 -1.138 25536 5848 1 12 . 1 1 92 92 VAL CA C 92 64.000 64.000 64.891 -0.891 25536 5849 1 12 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.814 -1.014 25536 5850 1 12 . 1 1 92 92 VAL H H 92 8.948 8.948 8.380 0.568 25536 5851 1 12 . 1 1 93 93 LYS N N 93 116.481 116.481 119.962 -3.481 25536 5852 1 12 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.230 -0.283 25536 5853 1 12 . 1 1 93 93 LYS C C 93 177.088 177.088 176.428 0.660 25536 5854 1 12 . 1 1 93 93 LYS CA C 93 57.699 57.699 57.983 -0.284 25536 5855 1 12 . 1 1 93 93 LYS CB C 93 32.258 32.258 32.859 -0.602 25536 5856 1 12 . 1 1 93 93 LYS H H 93 8.086 8.086 7.669 0.417 25536 5857 1 12 . 1 1 94 94 ASP N N 94 114.885 114.885 118.004 -3.119 25536 5858 1 12 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.037 -0.095 25536 5859 1 12 . 1 1 94 94 ASP C C 94 173.021 173.021 174.932 -1.911 25536 5860 1 12 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.026 0.563 25536 5861 1 12 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.098 0.347 25536 5862 1 12 . 1 1 94 94 ASP H H 94 7.399 7.399 7.870 -0.471 25536 5863 1 12 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.703 -0.285 25536 5864 1 12 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.494 0.153 25536 5865 1 12 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.412 0.348 25536 5866 1 12 . 1 1 96 96 SER N N 96 118.790 118.790 116.516 2.274 25536 5867 1 12 . 1 1 96 96 SER HA H 96 4.219 4.219 4.134 0.085 25536 5868 1 12 . 1 1 96 96 SER C C 96 173.615 173.615 173.950 -0.335 25536 5869 1 12 . 1 1 96 96 SER CA C 96 64.525 64.525 63.276 1.248 25536 5870 1 12 . 1 1 96 96 SER CB C 96 61.994 61.994 62.011 -0.018 25536 5871 1 12 . 1 1 96 96 SER H H 96 8.052 8.052 8.135 -0.083 25536 5872 1 12 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.337 0.010 25536 5873 1 12 . 1 1 97 97 PRO CA C 97 66.016 66.016 64.951 1.065 25536 5874 1 12 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.394 0.218 25536 5875 1 12 . 1 1 98 98 LEU N N 98 117.938 117.938 119.957 -2.019 25536 5876 1 12 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.847 -0.251 25536 5877 1 12 . 1 1 98 98 LEU C C 98 178.196 178.196 179.039 -0.843 25536 5878 1 12 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.727 -0.443 25536 5879 1 12 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.108 0.301 25536 5880 1 12 . 1 1 98 98 LEU H H 98 7.076 7.076 7.802 -0.726 25536 5881 1 12 . 1 1 99 99 TYR N N 99 117.957 117.957 117.426 0.531 25536 5882 1 12 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.044 0.106 25536 5883 1 12 . 1 1 99 99 TYR C C 99 178.767 178.767 178.282 0.485 25536 5884 1 12 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.620 -0.397 25536 5885 1 12 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.484 -0.446 25536 5886 1 12 . 1 1 99 99 TYR H H 99 7.547 7.547 7.762 -0.215 25536 5887 1 12 . 1 1 100 100 ASP N N 100 119.536 119.536 120.276 -0.740 25536 5888 1 12 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.391 -0.065 25536 5889 1 12 . 1 1 100 100 ASP C C 100 177.737 177.737 178.013 -0.276 25536 5890 1 12 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.225 0.650 25536 5891 1 12 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.974 0.168 25536 5892 1 12 . 1 1 100 100 ASP H H 100 8.292 8.292 7.673 0.619 25536 5893 1 12 . 1 1 101 101 MET N N 101 118.757 118.757 118.253 0.504 25536 5894 1 12 . 1 1 101 101 MET HA H 101 3.964 3.964 4.157 -0.193 25536 5895 1 12 . 1 1 101 101 MET C C 101 180.006 180.006 176.929 3.077 25536 5896 1 12 . 1 1 101 101 MET CA C 101 59.710 59.710 58.672 1.038 25536 5897 1 12 . 1 1 101 101 MET CB C 101 31.642 31.642 32.551 -0.909 25536 5898 1 12 . 1 1 101 101 MET H H 101 7.226 7.226 7.732 -0.506 25536 5899 1 12 . 1 1 102 102 LEU N N 102 121.624 121.624 118.195 3.429 25536 5900 1 12 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.064 -0.368 25536 5901 1 12 . 1 1 102 102 LEU C C 102 178.566 178.566 178.929 -0.363 25536 5902 1 12 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.889 2.038 25536 5903 1 12 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.533 -0.048 25536 5904 1 12 . 1 1 102 102 LEU H H 102 8.472 8.472 7.632 0.840 25536 5905 1 12 . 1 1 103 103 ARG N N 103 117.111 117.111 119.483 -2.372 25536 5906 1 12 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.026 -0.056 25536 5907 1 12 . 1 1 103 103 ARG C C 103 178.818 178.818 178.178 0.640 25536 5908 1 12 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.279 0.224 25536 5909 1 12 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.309 -0.014 25536 5910 1 12 . 1 1 103 103 ARG H H 103 7.932 7.932 8.363 -0.431 25536 5911 1 12 . 1 1 104 104 LYS N N 104 114.172 114.172 113.992 0.180 25536 5912 1 12 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.482 -0.260 25536 5913 1 12 . 1 1 104 104 LYS C C 104 177.556 177.556 176.996 0.560 25536 5914 1 12 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.240 1.720 25536 5915 1 12 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.041 2.187 25536 5916 1 12 . 1 1 104 104 LYS H H 104 7.157 7.157 7.667 -0.510 25536 5917 1 12 . 1 1 105 105 ASN N N 105 114.145 114.145 116.614 -2.469 25536 5918 1 12 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.935 -0.204 25536 5919 1 12 . 1 1 105 105 ASN C C 105 172.822 172.822 173.429 -0.607 25536 5920 1 12 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.066 0.776 25536 5921 1 12 . 1 1 105 105 ASN CB C 105 42.645 42.645 42.085 0.560 25536 5922 1 12 . 1 1 105 105 ASN H H 105 7.665 7.665 7.999 -0.334 25536 5923 1 12 . 1 1 106 106 LEU N N 106 118.600 118.600 119.534 -0.934 25536 5924 1 12 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.793 -0.122 25536 5925 1 12 . 1 1 106 106 LEU C C 106 175.658 175.658 174.228 1.430 25536 5926 1 12 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.910 -0.752 25536 5927 1 12 . 1 1 106 106 LEU CB C 106 43.565 43.565 45.560 -1.995 25536 5928 1 12 . 1 1 106 106 LEU H H 106 7.439 7.439 8.145 -0.706 25536 5929 1 12 . 1 1 107 107 VAL N N 107 122.739 122.739 123.591 -0.852 25536 5930 1 12 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.483 -0.275 25536 5931 1 12 . 1 1 107 107 VAL C C 107 176.054 176.054 175.075 0.979 25536 5932 1 12 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.434 0.781 25536 5933 1 12 . 1 1 107 107 VAL CB C 107 33.580 33.580 34.966 -1.386 25536 5934 1 12 . 1 1 107 107 VAL H H 107 8.182 8.182 8.183 -0.001 25536 5935 1 12 . 1 1 108 108 THR N N 108 120.854 120.854 119.653 1.201 25536 5936 1 12 . 1 1 108 108 THR HA H 108 4.336 4.336 4.560 -0.224 25536 5937 1 12 . 1 1 108 108 THR C C 108 174.216 174.216 172.872 1.344 25536 5938 1 12 . 1 1 108 108 THR CA C 108 62.726 62.726 59.519 3.207 25536 5939 1 12 . 1 1 108 108 THR CB C 108 70.080 70.080 70.590 -0.510 25536 5940 1 12 . 1 1 108 108 THR H H 108 8.524 8.524 8.084 0.440 25536 5941 1 12 . 1 1 109 109 LEU N N 109 125.529 125.529 124.174 1.355 25536 5942 1 12 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.401 -0.049 25536 5943 1 12 . 1 1 109 109 LEU C C 109 176.523 176.523 175.545 0.978 25536 5944 1 12 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.945 0.102 25536 5945 1 12 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.249 0.341 25536 5946 1 12 . 1 1 109 109 LEU H H 109 8.313 8.313 8.546 -0.233 25536 5947 1 12 . 1 1 110 110 ALA N N 110 125.099 125.099 126.171 -1.072 25536 5948 1 12 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.643 -0.277 25536 5949 1 12 . 1 1 110 110 ALA C C 110 176.847 176.847 175.631 1.216 25536 5950 1 12 . 1 1 110 110 ALA CA C 110 52.628 52.628 51.695 0.933 25536 5951 1 12 . 1 1 110 110 ALA CB C 110 19.706 19.706 21.288 -1.582 25536 5952 1 12 . 1 1 110 110 ALA H H 110 8.257 8.257 8.099 0.158 25536 5953 1 13 . 1 1 24 24 ILE N N 24 120.668 120.668 120.696 -0.028 25536 5954 1 13 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.391 -0.244 25536 5955 1 13 . 1 1 24 24 ILE C C 24 175.650 175.650 174.926 0.724 25536 5956 1 13 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.019 0.323 25536 5957 1 13 . 1 1 24 24 ILE CB C 24 39.067 39.067 39.475 -0.408 25536 5958 1 13 . 1 1 24 24 ILE H H 24 8.119 8.119 8.388 -0.269 25536 5959 1 13 . 1 1 25 25 ASN N N 25 122.032 122.032 121.667 0.365 25536 5960 1 13 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.873 -0.169 25536 5961 1 13 . 1 1 25 25 ASN C C 25 174.775 174.775 174.232 0.543 25536 5962 1 13 . 1 1 25 25 ASN CA C 25 53.730 53.730 52.745 0.986 25536 5963 1 13 . 1 1 25 25 ASN CB C 25 39.406 39.406 39.088 0.318 25536 5964 1 13 . 1 1 25 25 ASN H H 25 8.446 8.446 8.607 -0.161 25536 5965 1 13 . 1 1 26 26 GLN N N 26 118.655 118.655 118.732 -0.077 25536 5966 1 13 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.754 -0.167 25536 5967 1 13 . 1 1 26 26 GLN C C 26 175.291 175.291 174.598 0.693 25536 5968 1 13 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.300 1.401 25536 5969 1 13 . 1 1 26 26 GLN CB C 26 32.258 32.258 31.154 1.104 25536 5970 1 13 . 1 1 26 26 GLN H H 26 8.215 8.215 7.631 0.584 25536 5971 1 13 . 1 1 27 27 VAL N N 27 113.749 113.749 120.166 -6.417 25536 5972 1 13 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.308 0.559 25536 5973 1 13 . 1 1 27 27 VAL C C 27 173.900 173.900 174.341 -0.441 25536 5974 1 13 . 1 1 27 27 VAL CA C 27 59.116 59.116 59.620 -0.504 25536 5975 1 13 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.582 1.522 25536 5976 1 13 . 1 1 27 27 VAL H H 27 9.417 9.417 8.280 1.137 25536 5977 1 13 . 1 1 28 28 ARG N N 28 121.515 121.515 126.616 -5.101 25536 5978 1 13 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.238 0.219 25536 5979 1 13 . 1 1 28 28 ARG C C 28 175.090 175.090 174.742 0.348 25536 5980 1 13 . 1 1 28 28 ARG CA C 28 52.571 52.571 52.617 -0.046 25536 5981 1 13 . 1 1 28 28 ARG CB C 28 33.674 33.674 31.846 1.828 25536 5982 1 13 . 1 1 28 28 ARG H H 28 8.901 8.901 8.372 0.529 25536 5983 1 13 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.525 0.470 25536 5984 1 13 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.462 -0.410 25536 5985 1 13 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.455 -0.194 25536 5986 1 13 . 1 1 30 30 LYS N N 30 121.291 121.291 119.615 1.676 25536 5987 1 13 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.163 0.038 25536 5988 1 13 . 1 1 30 30 LYS C C 30 177.557 177.557 178.509 -0.952 25536 5989 1 13 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.594 1.128 25536 5990 1 13 . 1 1 30 30 LYS CB C 30 33.995 33.995 32.972 1.023 25536 5991 1 13 . 1 1 30 30 LYS H H 30 8.476 8.476 8.688 -0.212 25536 5992 1 13 . 1 1 31 31 LEU N N 31 121.578 121.578 123.041 -1.463 25536 5993 1 13 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.015 0.040 25536 5994 1 13 . 1 1 31 31 LEU C C 31 174.261 174.261 177.054 -2.793 25536 5995 1 13 . 1 1 31 31 LEU CA C 31 60.196 60.196 60.339 -0.143 25536 5996 1 13 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.498 0.352 25536 5997 1 13 . 1 1 31 31 LEU H H 31 8.584 8.584 8.839 -0.255 25536 5998 1 13 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.233 -0.100 25536 5999 1 13 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.562 1.016 25536 6000 1 13 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.211 0.266 25536 6001 1 13 . 1 1 33 33 LEU N N 33 113.190 113.190 118.002 -4.812 25536 6002 1 13 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.090 -0.115 25536 6003 1 13 . 1 1 33 33 LEU C C 33 177.726 177.726 179.425 -1.699 25536 6004 1 13 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.318 -1.178 25536 6005 1 13 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.351 0.496 25536 6006 1 13 . 1 1 33 33 LEU H H 33 6.605 6.605 7.310 -0.705 25536 6007 1 13 . 1 1 34 34 LEU N N 34 121.683 121.683 120.419 1.264 25536 6008 1 13 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.907 -0.525 25536 6009 1 13 . 1 1 34 34 LEU C C 34 177.321 177.321 177.937 -0.616 25536 6010 1 13 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.387 0.850 25536 6011 1 13 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.377 0.534 25536 6012 1 13 . 1 1 34 34 LEU H H 34 8.399 8.399 8.811 -0.412 25536 6013 1 13 . 1 1 35 35 LYS N N 35 114.524 114.524 118.916 -4.392 25536 6014 1 13 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.989 -0.196 25536 6015 1 13 . 1 1 35 35 LYS C C 35 180.207 180.207 178.724 1.483 25536 6016 1 13 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.419 0.652 25536 6017 1 13 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.727 0.742 25536 6018 1 13 . 1 1 35 35 LYS H H 35 7.940 7.940 7.587 0.353 25536 6019 1 13 . 1 1 36 36 ILE N N 36 119.857 119.857 119.688 0.169 25536 6020 1 13 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.697 -0.393 25536 6021 1 13 . 1 1 36 36 ILE C C 36 176.418 176.418 177.890 -1.472 25536 6022 1 13 . 1 1 36 36 ILE CA C 36 64.480 64.480 64.601 -0.121 25536 6023 1 13 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.426 0.178 25536 6024 1 13 . 1 1 36 36 ILE H H 36 6.742 6.742 7.397 -0.655 25536 6025 1 13 . 1 1 37 37 LEU N N 37 116.695 116.695 119.049 -2.354 25536 6026 1 13 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.859 -0.337 25536 6027 1 13 . 1 1 37 37 LEU C C 37 180.263 180.263 179.211 1.052 25536 6028 1 13 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.394 -0.114 25536 6029 1 13 . 1 1 37 37 LEU CB C 37 39.138 39.138 41.126 -1.988 25536 6030 1 13 . 1 1 37 37 LEU H H 37 7.595 7.595 7.354 0.241 25536 6031 1 13 . 1 1 38 38 HIS N N 38 117.829 117.829 117.267 0.562 25536 6032 1 13 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.200 0.482 25536 6033 1 13 . 1 1 38 38 HIS C C 38 180.133 180.133 178.108 2.025 25536 6034 1 13 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.456 -1.165 25536 6035 1 13 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.198 1.213 25536 6036 1 13 . 1 1 38 38 HIS H H 38 8.955 8.955 8.392 0.563 25536 6037 1 13 . 1 1 39 39 ALA N N 39 124.006 124.006 121.926 2.080 25536 6038 1 13 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.220 0.026 25536 6039 1 13 . 1 1 39 39 ALA C C 39 178.835 178.835 178.538 0.297 25536 6040 1 13 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.511 0.574 25536 6041 1 13 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.469 -0.358 25536 6042 1 13 . 1 1 39 39 ALA H H 39 7.945 7.945 8.280 -0.335 25536 6043 1 13 . 1 1 40 40 ALA N N 40 118.201 118.201 119.301 -1.100 25536 6044 1 13 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.356 0.065 25536 6045 1 13 . 1 1 40 40 ALA C C 40 176.261 176.261 177.456 -1.195 25536 6046 1 13 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.376 -0.240 25536 6047 1 13 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.324 0.788 25536 6048 1 13 . 1 1 40 40 ALA H H 40 7.665 7.665 7.616 0.049 25536 6049 1 13 . 1 1 41 41 GLY N N 41 103.920 103.920 107.241 -3.321 25536 6050 1 13 . 1 1 41 41 GLY C C 41 174.412 174.412 173.716 0.696 25536 6051 1 13 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.650 0.317 25536 6052 1 13 . 1 1 41 41 GLY H H 41 7.683 7.683 7.659 0.024 25536 6053 1 13 . 1 1 42 42 ALA N N 42 123.582 123.582 121.806 1.776 25536 6054 1 13 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.659 -0.024 25536 6055 1 13 . 1 1 42 42 ALA C C 42 175.772 175.772 177.101 -1.329 25536 6056 1 13 . 1 1 42 42 ALA CA C 42 52.680 52.680 50.883 1.797 25536 6057 1 13 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.587 -0.231 25536 6058 1 13 . 1 1 42 42 ALA H H 42 7.578 7.578 7.779 -0.201 25536 6059 1 13 . 1 1 43 43 GLN N N 43 116.996 116.996 121.401 -4.405 25536 6060 1 13 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.492 -0.143 25536 6061 1 13 . 1 1 43 43 GLN C C 43 175.528 175.528 175.497 0.031 25536 6062 1 13 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.269 -0.618 25536 6063 1 13 . 1 1 43 43 GLN CB C 43 32.414 32.414 28.978 3.436 25536 6064 1 13 . 1 1 43 43 GLN H H 43 8.481 8.481 8.546 -0.065 25536 6065 1 13 . 1 1 44 44 GLY N N 44 108.128 108.128 106.693 1.435 25536 6066 1 13 . 1 1 44 44 GLY C C 44 173.892 173.892 172.576 1.316 25536 6067 1 13 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.166 -0.468 25536 6068 1 13 . 1 1 44 44 GLY H H 44 8.510 8.510 7.851 0.659 25536 6069 1 13 . 1 1 45 45 GLU N N 45 114.113 114.113 119.341 -5.228 25536 6070 1 13 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.394 0.214 25536 6071 1 13 . 1 1 45 45 GLU C C 45 174.007 174.007 174.506 -0.499 25536 6072 1 13 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.724 1.105 25536 6073 1 13 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.399 1.652 25536 6074 1 13 . 1 1 45 45 GLU H H 45 8.245 8.245 8.243 0.002 25536 6075 1 13 . 1 1 46 46 MET N N 46 115.322 115.322 117.669 -2.347 25536 6076 1 13 . 1 1 46 46 MET HA H 46 5.051 5.051 4.412 0.639 25536 6077 1 13 . 1 1 46 46 MET C C 46 174.637 174.637 174.238 0.399 25536 6078 1 13 . 1 1 46 46 MET CA C 46 54.264 54.264 54.188 0.076 25536 6079 1 13 . 1 1 46 46 MET CB C 46 35.854 35.854 34.522 1.332 25536 6080 1 13 . 1 1 46 46 MET H H 46 6.872 6.872 6.971 -0.099 25536 6081 1 13 . 1 1 47 47 PHE N N 47 119.008 119.008 118.826 0.182 25536 6082 1 13 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.154 -0.060 25536 6083 1 13 . 1 1 47 47 PHE C C 47 175.742 175.742 174.912 0.830 25536 6084 1 13 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.819 1.519 25536 6085 1 13 . 1 1 47 47 PHE CB C 47 46.912 46.912 40.963 5.949 25536 6086 1 13 . 1 1 47 47 PHE H H 47 8.623 8.623 9.024 -0.401 25536 6087 1 13 . 1 1 48 48 THR N N 48 110.544 110.544 111.941 -1.397 25536 6088 1 13 . 1 1 48 48 THR HA H 48 4.990 4.990 4.533 0.457 25536 6089 1 13 . 1 1 48 48 THR C C 48 176.666 176.666 175.683 0.983 25536 6090 1 13 . 1 1 48 48 THR CA C 48 61.095 61.095 60.549 0.546 25536 6091 1 13 . 1 1 48 48 THR CB C 48 71.136 71.136 70.715 0.421 25536 6092 1 13 . 1 1 48 48 THR H H 48 9.108 9.108 9.373 -0.265 25536 6093 1 13 . 1 1 49 49 VAL N N 49 121.588 121.588 122.418 -0.830 25536 6094 1 13 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.655 -0.274 25536 6095 1 13 . 1 1 49 49 VAL C C 49 177.726 177.726 177.025 0.701 25536 6096 1 13 . 1 1 49 49 VAL CA C 49 68.241 68.241 65.836 2.405 25536 6097 1 13 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.765 -0.210 25536 6098 1 13 . 1 1 49 49 VAL H H 49 9.044 9.044 9.068 -0.024 25536 6099 1 13 . 1 1 50 50 LYS N N 50 118.341 118.341 115.384 2.957 25536 6100 1 13 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.073 -0.114 25536 6101 1 13 . 1 1 50 50 LYS C C 50 180.060 180.060 178.336 1.724 25536 6102 1 13 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.142 1.214 25536 6103 1 13 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.662 1.177 25536 6104 1 13 . 1 1 50 50 LYS H H 50 8.132 8.132 8.494 -0.362 25536 6105 1 13 . 1 1 51 51 GLU N N 51 119.521 119.521 120.462 -0.941 25536 6106 1 13 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.939 0.107 25536 6107 1 13 . 1 1 51 51 GLU C C 51 178.583 178.583 178.375 0.208 25536 6108 1 13 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.018 0.885 25536 6109 1 13 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.997 1.459 25536 6110 1 13 . 1 1 51 51 GLU H H 51 7.877 7.877 7.454 0.423 25536 6111 1 13 . 1 1 52 52 VAL N N 52 119.044 119.044 118.083 0.961 25536 6112 1 13 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.563 -0.313 25536 6113 1 13 . 1 1 52 52 VAL C C 52 177.546 177.546 178.073 -0.527 25536 6114 1 13 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.719 2.182 25536 6115 1 13 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.232 0.145 25536 6116 1 13 . 1 1 52 52 VAL H H 52 8.245 8.245 8.516 -0.271 25536 6117 1 13 . 1 1 53 53 MET N N 53 114.669 114.669 115.644 -0.975 25536 6118 1 13 . 1 1 53 53 MET HA H 53 4.198 4.198 4.036 0.162 25536 6119 1 13 . 1 1 53 53 MET C C 53 178.699 178.699 177.305 1.394 25536 6120 1 13 . 1 1 53 53 MET CA C 53 57.748 57.748 57.631 0.117 25536 6121 1 13 . 1 1 53 53 MET CB C 53 32.680 32.680 31.273 1.407 25536 6122 1 13 . 1 1 53 53 MET H H 53 8.188 8.188 8.010 0.178 25536 6123 1 13 . 1 1 54 54 HIS N N 54 118.909 118.909 120.150 -1.241 25536 6124 1 13 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.169 -0.052 25536 6125 1 13 . 1 1 54 54 HIS C C 54 178.675 178.675 177.094 1.581 25536 6126 1 13 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.270 0.002 25536 6127 1 13 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.645 0.952 25536 6128 1 13 . 1 1 54 54 HIS H H 54 8.091 8.091 7.349 0.742 25536 6129 1 13 . 1 1 55 55 TYR N N 55 116.769 116.769 116.965 -0.196 25536 6130 1 13 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.186 -0.334 25536 6131 1 13 . 1 1 55 55 TYR C C 55 177.794 177.794 177.824 -0.030 25536 6132 1 13 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.947 2.770 25536 6133 1 13 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.147 1.982 25536 6134 1 13 . 1 1 55 55 TYR H H 55 8.468 8.468 7.381 1.087 25536 6135 1 13 . 1 1 56 56 LEU N N 56 120.819 120.819 119.647 1.172 25536 6136 1 13 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.937 -0.128 25536 6137 1 13 . 1 1 56 56 LEU C C 56 178.484 178.484 179.161 -0.677 25536 6138 1 13 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.866 0.756 25536 6139 1 13 . 1 1 56 56 LEU CB C 56 42.581 42.581 40.884 1.697 25536 6140 1 13 . 1 1 56 56 LEU H H 56 8.455 8.455 7.466 0.989 25536 6141 1 13 . 1 1 57 57 GLY N N 57 104.896 104.896 106.396 -1.500 25536 6142 1 13 . 1 1 57 57 GLY C C 57 175.647 175.647 176.000 -0.353 25536 6143 1 13 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.009 0.230 25536 6144 1 13 . 1 1 57 57 GLY H H 57 7.691 7.691 8.115 -0.424 25536 6145 1 13 . 1 1 58 58 GLN N N 58 119.080 119.080 122.007 -2.927 25536 6146 1 13 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.994 -0.182 25536 6147 1 13 . 1 1 58 58 GLN C C 58 177.429 177.429 177.781 -0.352 25536 6148 1 13 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.563 0.115 25536 6149 1 13 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.389 0.486 25536 6150 1 13 . 1 1 58 58 GLN H H 58 7.704 7.704 7.785 -0.081 25536 6151 1 13 . 1 1 59 59 TYR N N 59 120.995 120.995 122.237 -1.242 25536 6152 1 13 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.213 -0.409 25536 6153 1 13 . 1 1 59 59 TYR C C 59 176.215 176.215 177.454 -1.239 25536 6154 1 13 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.091 0.474 25536 6155 1 13 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.689 -0.070 25536 6156 1 13 . 1 1 59 59 TYR H H 59 8.500 8.500 8.225 0.275 25536 6157 1 13 . 1 1 60 60 ILE N N 60 116.532 116.532 119.578 -3.046 25536 6158 1 13 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.643 -0.340 25536 6159 1 13 . 1 1 60 60 ILE C C 60 177.952 177.952 178.155 -0.203 25536 6160 1 13 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.771 -0.224 25536 6161 1 13 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.018 0.413 25536 6162 1 13 . 1 1 60 60 ILE H H 60 7.585 7.585 8.673 -1.088 25536 6163 1 13 . 1 1 61 61 MET N N 61 115.556 115.556 119.093 -3.537 25536 6164 1 13 . 1 1 61 61 MET HA H 61 4.547 4.547 4.359 0.188 25536 6165 1 13 . 1 1 61 61 MET C C 61 180.579 180.579 178.162 2.417 25536 6166 1 13 . 1 1 61 61 MET CA C 61 57.563 57.563 58.296 -0.733 25536 6167 1 13 . 1 1 61 61 MET CB C 61 31.473 31.473 32.627 -1.154 25536 6168 1 13 . 1 1 61 61 MET H H 61 7.707 7.707 8.048 -0.341 25536 6169 1 13 . 1 1 62 62 VAL N N 62 120.872 120.872 118.854 2.018 25536 6170 1 13 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.717 0.111 25536 6171 1 13 . 1 1 62 62 VAL C C 62 178.786 178.786 177.527 1.259 25536 6172 1 13 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.525 1.587 25536 6173 1 13 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.133 -0.142 25536 6174 1 13 . 1 1 62 62 VAL H H 62 9.009 9.009 8.351 0.658 25536 6175 1 13 . 1 1 63 63 LYS N N 63 116.652 116.652 117.807 -1.155 25536 6176 1 13 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.109 -0.052 25536 6177 1 13 . 1 1 63 63 LYS C C 63 174.784 174.784 175.778 -0.994 25536 6178 1 13 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.590 0.493 25536 6179 1 13 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.036 -0.575 25536 6180 1 13 . 1 1 63 63 LYS H H 63 7.812 7.812 8.072 -0.260 25536 6181 1 13 . 1 1 64 64 GLN N N 64 115.445 115.445 114.167 1.278 25536 6182 1 13 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.568 0.038 25536 6183 1 13 . 1 1 64 64 GLN C C 64 175.550 175.550 175.059 0.491 25536 6184 1 13 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.505 0.474 25536 6185 1 13 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.176 1.072 25536 6186 1 13 . 1 1 64 64 GLN H H 64 7.642 7.642 7.954 -0.312 25536 6187 1 13 . 1 1 65 65 LEU N N 65 115.724 115.724 119.598 -3.874 25536 6188 1 13 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.473 -0.016 25536 6189 1 13 . 1 1 65 65 LEU C C 65 175.979 175.979 175.659 0.320 25536 6190 1 13 . 1 1 65 65 LEU CA C 65 54.654 54.654 53.764 0.890 25536 6191 1 13 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.480 0.470 25536 6192 1 13 . 1 1 65 65 LEU H H 65 8.097 8.097 7.402 0.695 25536 6193 1 13 . 1 1 66 66 TYR N N 66 112.953 112.953 115.055 -2.102 25536 6194 1 13 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.277 0.015 25536 6195 1 13 . 1 1 66 66 TYR C C 66 173.941 173.941 174.674 -0.733 25536 6196 1 13 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.571 1.058 25536 6197 1 13 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.737 -0.989 25536 6198 1 13 . 1 1 66 66 TYR H H 66 6.856 6.856 6.566 0.290 25536 6199 1 13 . 1 1 67 67 ASP N N 67 122.196 122.196 120.797 1.399 25536 6200 1 13 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.684 -0.246 25536 6201 1 13 . 1 1 67 67 ASP C C 67 176.779 176.779 177.202 -0.423 25536 6202 1 13 . 1 1 67 67 ASP CA C 67 53.980 53.980 54.387 -0.407 25536 6203 1 13 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.323 0.209 25536 6204 1 13 . 1 1 67 67 ASP H H 67 8.324 8.324 8.406 -0.082 25536 6205 1 13 . 1 1 68 68 GLN N N 68 123.042 123.042 123.203 -0.161 25536 6206 1 13 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.140 -0.254 25536 6207 1 13 . 1 1 68 68 GLN C C 68 177.122 177.122 177.539 -0.417 25536 6208 1 13 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.532 0.499 25536 6209 1 13 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.475 0.612 25536 6210 1 13 . 1 1 68 68 GLN H H 68 8.563 8.563 8.740 -0.177 25536 6211 1 13 . 1 1 69 69 GLN N N 69 115.263 115.263 116.047 -0.784 25536 6212 1 13 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.307 0.050 25536 6213 1 13 . 1 1 69 69 GLN C C 69 176.272 176.272 176.439 -0.167 25536 6214 1 13 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.068 0.061 25536 6215 1 13 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.866 0.258 25536 6216 1 13 . 1 1 69 69 GLN H H 69 8.356 8.356 8.215 0.141 25536 6217 1 13 . 1 1 70 70 GLU N N 70 122.549 122.549 120.173 2.376 25536 6218 1 13 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.487 0.032 25536 6219 1 13 . 1 1 70 70 GLU C C 70 175.953 175.953 175.941 0.012 25536 6220 1 13 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.013 -0.056 25536 6221 1 13 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.263 0.297 25536 6222 1 13 . 1 1 70 70 GLU H H 70 8.227 8.227 8.159 0.068 25536 6223 1 13 . 1 1 71 71 GLN N N 71 118.815 118.815 120.942 -2.127 25536 6224 1 13 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.723 0.829 25536 6225 1 13 . 1 1 71 71 GLN C C 71 174.842 174.842 176.075 -1.233 25536 6226 1 13 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.328 1.369 25536 6227 1 13 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.459 -0.529 25536 6228 1 13 . 1 1 71 71 GLN H H 71 8.253 8.253 8.560 -0.307 25536 6229 1 13 . 1 1 72 72 HIS N N 72 111.141 111.141 111.737 -0.596 25536 6230 1 13 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.500 -0.327 25536 6231 1 13 . 1 1 72 72 HIS C C 72 173.749 173.749 174.767 -1.018 25536 6232 1 13 . 1 1 72 72 HIS CA C 72 56.259 56.259 54.881 1.378 25536 6233 1 13 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.388 1.684 25536 6234 1 13 . 1 1 72 72 HIS H H 72 7.412 7.412 7.692 -0.280 25536 6235 1 13 . 1 1 73 73 MET N N 73 119.350 119.350 120.092 -0.742 25536 6236 1 13 . 1 1 73 73 MET HA H 73 4.584 4.584 4.472 0.112 25536 6237 1 13 . 1 1 73 73 MET C C 73 174.311 174.311 174.643 -0.332 25536 6238 1 13 . 1 1 73 73 MET CA C 73 53.186 53.186 53.786 -0.600 25536 6239 1 13 . 1 1 73 73 MET CB C 73 31.731 31.731 32.328 -0.597 25536 6240 1 13 . 1 1 73 73 MET H H 73 7.766 7.766 7.522 0.244 25536 6241 1 13 . 1 1 74 74 VAL N N 74 122.542 122.542 123.725 -1.183 25536 6242 1 13 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.325 -0.377 25536 6243 1 13 . 1 1 74 74 VAL C C 74 174.756 174.756 174.281 0.475 25536 6244 1 13 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.057 0.565 25536 6245 1 13 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.590 0.224 25536 6246 1 13 . 1 1 74 74 VAL H H 74 8.456 8.456 8.413 0.043 25536 6247 1 13 . 1 1 75 75 TYR N N 75 125.680 125.680 126.287 -0.607 25536 6248 1 13 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.226 -0.467 25536 6249 1 13 . 1 1 75 75 TYR C C 75 174.923 174.923 175.066 -0.143 25536 6250 1 13 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.279 0.533 25536 6251 1 13 . 1 1 75 75 TYR CB C 75 38.849 38.849 39.218 -0.369 25536 6252 1 13 . 1 1 75 75 TYR H H 75 8.213 8.213 9.026 -0.813 25536 6253 1 13 . 1 1 76 76 CYS N N 76 116.702 116.702 119.199 -2.497 25536 6254 1 13 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.682 0.057 25536 6255 1 13 . 1 1 76 76 CYS C C 76 174.231 174.231 174.817 -0.586 25536 6256 1 13 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.038 -1.935 25536 6257 1 13 . 1 1 76 76 CYS CB C 76 29.697 29.697 28.542 1.155 25536 6258 1 13 . 1 1 76 76 CYS H H 76 8.307 8.307 9.023 -0.716 25536 6259 1 13 . 1 1 77 77 GLY N N 77 111.569 111.569 109.626 1.943 25536 6260 1 13 . 1 1 77 77 GLY C C 77 174.662 174.662 175.065 -0.403 25536 6261 1 13 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.610 0.539 25536 6262 1 13 . 1 1 77 77 GLY H H 77 8.484 8.484 7.890 0.594 25536 6263 1 13 . 1 1 78 78 GLY N N 78 113.022 113.022 113.348 -0.326 25536 6264 1 13 . 1 1 78 78 GLY C C 78 172.811 172.811 174.241 -1.430 25536 6265 1 13 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.898 0.862 25536 6266 1 13 . 1 1 78 78 GLY H H 78 8.889 8.889 8.560 0.329 25536 6267 1 13 . 1 1 79 79 ASP N N 79 119.431 119.431 120.592 -1.161 25536 6268 1 13 . 1 1 79 79 ASP HA H 79 4.888 4.888 5.174 -0.286 25536 6269 1 13 . 1 1 79 79 ASP C C 79 176.302 176.302 176.253 0.049 25536 6270 1 13 . 1 1 79 79 ASP CA C 79 53.093 53.093 52.489 0.604 25536 6271 1 13 . 1 1 79 79 ASP CB C 79 47.264 47.264 43.071 4.193 25536 6272 1 13 . 1 1 79 79 ASP H H 79 7.789 7.789 7.901 -0.112 25536 6273 1 13 . 1 1 80 80 LEU N N 80 128.421 128.421 122.790 5.631 25536 6274 1 13 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.089 -0.025 25536 6275 1 13 . 1 1 80 80 LEU C C 80 179.059 179.059 178.999 0.060 25536 6276 1 13 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.933 0.870 25536 6277 1 13 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.419 -0.016 25536 6278 1 13 . 1 1 80 80 LEU H H 80 8.549 8.549 8.969 -0.420 25536 6279 1 13 . 1 1 81 81 LEU N N 81 118.633 118.633 120.295 -1.662 25536 6280 1 13 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.907 -0.040 25536 6281 1 13 . 1 1 81 81 LEU C C 81 178.542 178.542 178.279 0.263 25536 6282 1 13 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.026 0.745 25536 6283 1 13 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.141 1.508 25536 6284 1 13 . 1 1 81 81 LEU H H 81 9.973 9.973 7.714 2.259 25536 6285 1 13 . 1 1 82 82 GLY N N 82 105.564 105.564 105.388 0.176 25536 6286 1 13 . 1 1 82 82 GLY C C 82 176.907 176.907 175.874 1.033 25536 6287 1 13 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.080 0.983 25536 6288 1 13 . 1 1 82 82 GLY H H 82 7.559 7.559 7.664 -0.105 25536 6289 1 13 . 1 1 83 83 GLU N N 83 121.706 121.706 122.362 -0.656 25536 6290 1 13 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.100 -0.118 25536 6291 1 13 . 1 1 83 83 GLU C C 83 179.215 179.215 178.302 0.913 25536 6292 1 13 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.659 0.502 25536 6293 1 13 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.321 0.172 25536 6294 1 13 . 1 1 83 83 GLU H H 83 7.536 7.536 7.958 -0.422 25536 6295 1 13 . 1 1 84 84 LEU N N 84 118.455 118.455 119.914 -1.459 25536 6296 1 13 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.031 -0.007 25536 6297 1 13 . 1 1 84 84 LEU C C 84 178.842 178.842 178.423 0.419 25536 6298 1 13 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.548 -0.073 25536 6299 1 13 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.231 0.256 25536 6300 1 13 . 1 1 84 84 LEU H H 84 7.701 7.701 8.183 -0.482 25536 6301 1 13 . 1 1 85 85 LEU N N 85 115.271 115.271 115.780 -0.509 25536 6302 1 13 . 1 1 85 85 LEU HA H 85 3.776 3.776 4.160 -0.384 25536 6303 1 13 . 1 1 85 85 LEU C C 85 177.773 177.773 177.688 0.085 25536 6304 1 13 . 1 1 85 85 LEU CA C 85 56.375 56.375 55.700 0.675 25536 6305 1 13 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.928 0.966 25536 6306 1 13 . 1 1 85 85 LEU H H 85 8.117 8.117 7.928 0.189 25536 6307 1 13 . 1 1 86 86 GLY N N 86 107.216 107.216 105.597 1.619 25536 6308 1 13 . 1 1 86 86 GLY C C 86 174.090 174.090 173.848 0.242 25536 6309 1 13 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.352 0.963 25536 6310 1 13 . 1 1 86 86 GLY H H 86 7.983 7.983 8.091 -0.108 25536 6311 1 13 . 1 1 87 87 ARG N N 87 113.296 113.296 116.869 -3.573 25536 6312 1 13 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.692 -0.038 25536 6313 1 13 . 1 1 87 87 ARG C C 87 174.720 174.720 175.177 -0.457 25536 6314 1 13 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.879 0.400 25536 6315 1 13 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.798 2.597 25536 6316 1 13 . 1 1 87 87 ARG H H 87 7.411 7.411 7.532 -0.121 25536 6317 1 13 . 1 1 88 88 GLN N N 88 115.575 115.575 120.719 -5.144 25536 6318 1 13 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.306 -0.253 25536 6319 1 13 . 1 1 88 88 GLN C C 88 175.946 175.946 175.197 0.749 25536 6320 1 13 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.611 -0.200 25536 6321 1 13 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.046 0.744 25536 6322 1 13 . 1 1 88 88 GLN H H 88 8.653 8.653 8.862 -0.209 25536 6323 1 13 . 1 1 89 89 SER N N 89 110.451 110.451 111.972 -1.521 25536 6324 1 13 . 1 1 89 89 SER HA H 89 5.428 5.428 5.299 0.129 25536 6325 1 13 . 1 1 89 89 SER C C 89 173.062 173.062 172.812 0.250 25536 6326 1 13 . 1 1 89 89 SER CA C 89 57.011 57.011 56.638 0.373 25536 6327 1 13 . 1 1 89 89 SER CB C 89 66.560 66.560 65.913 0.647 25536 6328 1 13 . 1 1 89 89 SER H H 89 7.625 7.625 7.624 0.001 25536 6329 1 13 . 1 1 90 90 PHE N N 90 115.159 115.159 117.079 -1.920 25536 6330 1 13 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.965 -0.280 25536 6331 1 13 . 1 1 90 90 PHE C C 90 170.337 170.337 172.509 -2.172 25536 6332 1 13 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.136 0.062 25536 6333 1 13 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.295 0.117 25536 6334 1 13 . 1 1 90 90 PHE H H 90 8.549 8.549 8.109 0.440 25536 6335 1 13 . 1 1 91 91 SER N N 91 113.637 113.637 114.093 -0.456 25536 6336 1 13 . 1 1 91 91 SER HA H 91 5.350 5.350 5.031 0.319 25536 6337 1 13 . 1 1 91 91 SER C C 91 178.100 178.100 176.199 1.901 25536 6338 1 13 . 1 1 91 91 SER CA C 91 54.748 54.748 54.946 -0.198 25536 6339 1 13 . 1 1 91 91 SER CB C 91 65.325 65.325 65.721 -0.396 25536 6340 1 13 . 1 1 91 91 SER H H 91 9.010 9.010 8.357 0.653 25536 6341 1 13 . 1 1 92 92 VAL N N 92 120.560 120.560 127.071 -6.511 25536 6342 1 13 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.787 0.121 25536 6343 1 13 . 1 1 92 92 VAL C C 92 175.704 175.704 176.714 -1.010 25536 6344 1 13 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.852 -1.852 25536 6345 1 13 . 1 1 92 92 VAL CB C 92 30.800 30.800 32.084 -1.284 25536 6346 1 13 . 1 1 92 92 VAL H H 92 8.948 8.948 9.141 -0.193 25536 6347 1 13 . 1 1 93 93 LYS N N 93 116.481 116.481 117.829 -1.348 25536 6348 1 13 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.335 -0.388 25536 6349 1 13 . 1 1 93 93 LYS C C 93 177.088 177.088 175.802 1.286 25536 6350 1 13 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.472 1.227 25536 6351 1 13 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.244 -0.986 25536 6352 1 13 . 1 1 93 93 LYS H H 93 8.086 8.086 7.753 0.333 25536 6353 1 13 . 1 1 94 94 ASP N N 94 114.885 114.885 119.390 -4.505 25536 6354 1 13 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.066 -0.124 25536 6355 1 13 . 1 1 94 94 ASP C C 94 173.021 173.021 175.155 -2.134 25536 6356 1 13 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.453 0.136 25536 6357 1 13 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.785 -0.340 25536 6358 1 13 . 1 1 94 94 ASP H H 94 7.399 7.399 7.799 -0.400 25536 6359 1 13 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.696 -0.278 25536 6360 1 13 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.765 -0.118 25536 6361 1 13 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.758 0.002 25536 6362 1 13 . 1 1 96 96 SER N N 96 118.790 118.790 116.687 2.103 25536 6363 1 13 . 1 1 96 96 SER HA H 96 4.219 4.219 4.172 0.047 25536 6364 1 13 . 1 1 96 96 SER C C 96 173.615 173.615 173.793 -0.178 25536 6365 1 13 . 1 1 96 96 SER CA C 96 64.525 64.525 63.404 1.121 25536 6366 1 13 . 1 1 96 96 SER CB C 96 61.994 61.994 61.057 0.937 25536 6367 1 13 . 1 1 96 96 SER H H 96 8.052 8.052 8.574 -0.522 25536 6368 1 13 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.306 0.042 25536 6369 1 13 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.478 0.538 25536 6370 1 13 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.372 0.240 25536 6371 1 13 . 1 1 98 98 LEU N N 98 117.938 117.938 118.959 -1.021 25536 6372 1 13 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.726 -0.130 25536 6373 1 13 . 1 1 98 98 LEU C C 98 178.196 178.196 178.764 -0.568 25536 6374 1 13 . 1 1 98 98 LEU CA C 98 57.284 57.284 58.100 -0.816 25536 6375 1 13 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.318 0.091 25536 6376 1 13 . 1 1 98 98 LEU H H 98 7.076 7.076 7.696 -0.620 25536 6377 1 13 . 1 1 99 99 TYR N N 99 117.957 117.957 118.124 -0.167 25536 6378 1 13 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.056 0.094 25536 6379 1 13 . 1 1 99 99 TYR C C 99 178.767 178.767 178.167 0.600 25536 6380 1 13 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.907 -0.684 25536 6381 1 13 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.842 -0.804 25536 6382 1 13 . 1 1 99 99 TYR H H 99 7.547 7.547 7.565 -0.018 25536 6383 1 13 . 1 1 100 100 ASP N N 100 119.536 119.536 120.403 -0.867 25536 6384 1 13 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.333 -0.007 25536 6385 1 13 . 1 1 100 100 ASP C C 100 177.737 177.737 178.160 -0.423 25536 6386 1 13 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.461 0.414 25536 6387 1 13 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.875 0.266 25536 6388 1 13 . 1 1 100 100 ASP H H 100 8.292 8.292 8.499 -0.207 25536 6389 1 13 . 1 1 101 101 MET N N 101 118.757 118.757 117.429 1.328 25536 6390 1 13 . 1 1 101 101 MET HA H 101 3.964 3.964 4.343 -0.379 25536 6391 1 13 . 1 1 101 101 MET C C 101 180.006 180.006 177.929 2.077 25536 6392 1 13 . 1 1 101 101 MET CA C 101 59.710 59.710 57.846 1.864 25536 6393 1 13 . 1 1 101 101 MET CB C 101 31.642 31.642 32.129 -0.487 25536 6394 1 13 . 1 1 101 101 MET H H 101 7.226 7.226 7.754 -0.528 25536 6395 1 13 . 1 1 102 102 LEU N N 102 121.624 121.624 120.304 1.320 25536 6396 1 13 . 1 1 102 102 LEU HA H 102 3.696 3.696 3.973 -0.277 25536 6397 1 13 . 1 1 102 102 LEU C C 102 178.566 178.566 179.018 -0.452 25536 6398 1 13 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.315 1.612 25536 6399 1 13 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.303 0.182 25536 6400 1 13 . 1 1 102 102 LEU H H 102 8.472 8.472 8.153 0.319 25536 6401 1 13 . 1 1 103 103 ARG N N 103 117.111 117.111 118.602 -1.491 25536 6402 1 13 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.028 -0.058 25536 6403 1 13 . 1 1 103 103 ARG C C 103 178.818 178.818 177.854 0.964 25536 6404 1 13 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.128 0.375 25536 6405 1 13 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.087 0.208 25536 6406 1 13 . 1 1 103 103 ARG H H 103 7.932 7.932 8.317 -0.385 25536 6407 1 13 . 1 1 104 104 LYS N N 104 114.172 114.172 115.203 -1.031 25536 6408 1 13 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.410 -0.188 25536 6409 1 13 . 1 1 104 104 LYS C C 104 177.556 177.556 177.349 0.207 25536 6410 1 13 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.659 1.301 25536 6411 1 13 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.078 2.148 25536 6412 1 13 . 1 1 104 104 LYS H H 104 7.157 7.157 7.467 -0.310 25536 6413 1 13 . 1 1 105 105 ASN N N 105 114.145 114.145 117.740 -3.595 25536 6414 1 13 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.685 0.046 25536 6415 1 13 . 1 1 105 105 ASN C C 105 172.822 172.822 175.387 -2.565 25536 6416 1 13 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.903 -0.060 25536 6417 1 13 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.278 2.368 25536 6418 1 13 . 1 1 105 105 ASN H H 105 7.665 7.665 7.775 -0.110 25536 6419 1 13 . 1 1 106 106 LEU N N 106 118.600 118.600 121.022 -2.422 25536 6420 1 13 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.523 0.148 25536 6421 1 13 . 1 1 106 106 LEU C C 106 175.658 175.658 176.569 -0.911 25536 6422 1 13 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.429 -0.271 25536 6423 1 13 . 1 1 106 106 LEU CB C 106 43.565 43.565 42.567 0.998 25536 6424 1 13 . 1 1 106 106 LEU H H 106 7.439 7.439 8.184 -0.745 25536 6425 1 13 . 1 1 107 107 VAL N N 107 122.739 122.739 120.828 1.911 25536 6426 1 13 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.305 -0.097 25536 6427 1 13 . 1 1 107 107 VAL C C 107 176.054 176.054 175.798 0.256 25536 6428 1 13 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.684 0.532 25536 6429 1 13 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.093 1.486 25536 6430 1 13 . 1 1 107 107 VAL H H 107 8.182 8.182 8.234 -0.052 25536 6431 1 13 . 1 1 108 108 THR N N 108 120.854 120.854 118.657 2.197 25536 6432 1 13 . 1 1 108 108 THR HA H 108 4.336 4.336 4.388 -0.052 25536 6433 1 13 . 1 1 108 108 THR C C 108 174.216 174.216 175.376 -1.160 25536 6434 1 13 . 1 1 108 108 THR CA C 108 62.726 62.726 61.194 1.532 25536 6435 1 13 . 1 1 108 108 THR CB C 108 70.080 70.080 69.515 0.565 25536 6436 1 13 . 1 1 108 108 THR H H 108 8.524 8.524 7.737 0.787 25536 6437 1 13 . 1 1 109 109 LEU N N 109 125.529 125.529 126.225 -0.696 25536 6438 1 13 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.351 0.001 25536 6439 1 13 . 1 1 109 109 LEU C C 109 176.523 176.523 175.807 0.716 25536 6440 1 13 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.115 -0.068 25536 6441 1 13 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.222 0.367 25536 6442 1 13 . 1 1 109 109 LEU H H 109 8.313 8.313 8.566 -0.253 25536 6443 1 13 . 1 1 110 110 ALA N N 110 125.099 125.099 122.087 3.012 25536 6444 1 13 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.212 0.154 25536 6445 1 13 . 1 1 110 110 ALA C C 110 176.847 176.847 176.474 0.373 25536 6446 1 13 . 1 1 110 110 ALA CA C 110 52.628 52.628 53.078 -0.450 25536 6447 1 13 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.034 0.672 25536 6448 1 13 . 1 1 110 110 ALA H H 110 8.257 8.257 7.631 0.626 25536 6449 1 14 . 1 1 24 24 ILE N N 24 120.668 120.668 121.948 -1.280 25536 6450 1 14 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.058 0.089 25536 6451 1 14 . 1 1 24 24 ILE C C 24 175.650 175.650 176.183 -0.533 25536 6452 1 14 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.786 -0.444 25536 6453 1 14 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.215 0.852 25536 6454 1 14 . 1 1 24 24 ILE H H 24 8.119 8.119 8.476 -0.357 25536 6455 1 14 . 1 1 25 25 ASN N N 25 122.032 122.032 115.785 6.247 25536 6456 1 14 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.376 0.328 25536 6457 1 14 . 1 1 25 25 ASN C C 25 174.775 174.775 173.785 0.990 25536 6458 1 14 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.829 -0.099 25536 6459 1 14 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.533 1.873 25536 6460 1 14 . 1 1 25 25 ASN H H 25 8.446 8.446 8.594 -0.148 25536 6461 1 14 . 1 1 26 26 GLN N N 26 118.655 118.655 117.224 1.431 25536 6462 1 14 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.667 -0.080 25536 6463 1 14 . 1 1 26 26 GLN C C 26 175.291 175.291 174.609 0.682 25536 6464 1 14 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.631 1.071 25536 6465 1 14 . 1 1 26 26 GLN CB C 26 32.258 32.258 31.417 0.841 25536 6466 1 14 . 1 1 26 26 GLN H H 26 8.215 8.215 7.843 0.372 25536 6467 1 14 . 1 1 27 27 VAL N N 27 113.749 113.749 119.571 -5.822 25536 6468 1 14 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.252 0.615 25536 6469 1 14 . 1 1 27 27 VAL C C 27 173.900 173.900 174.926 -1.026 25536 6470 1 14 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.517 -1.401 25536 6471 1 14 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.703 2.401 25536 6472 1 14 . 1 1 27 27 VAL H H 27 9.417 9.417 8.552 0.865 25536 6473 1 14 . 1 1 28 28 ARG N N 28 121.515 121.515 124.371 -2.856 25536 6474 1 14 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.157 0.300 25536 6475 1 14 . 1 1 28 28 ARG C C 28 175.090 175.090 175.306 -0.216 25536 6476 1 14 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.627 -1.056 25536 6477 1 14 . 1 1 28 28 ARG CB C 28 33.674 33.674 29.744 3.930 25536 6478 1 14 . 1 1 28 28 ARG H H 28 8.901 8.901 8.348 0.553 25536 6479 1 14 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.588 0.407 25536 6480 1 14 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.172 -0.120 25536 6481 1 14 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.744 -0.483 25536 6482 1 14 . 1 1 30 30 LYS N N 30 121.291 121.291 119.004 2.287 25536 6483 1 14 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.222 -0.021 25536 6484 1 14 . 1 1 30 30 LYS C C 30 177.557 177.557 178.305 -0.748 25536 6485 1 14 . 1 1 30 30 LYS CA C 30 57.722 57.722 55.580 2.142 25536 6486 1 14 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.384 0.611 25536 6487 1 14 . 1 1 30 30 LYS H H 30 8.476 8.476 8.129 0.347 25536 6488 1 14 . 1 1 31 31 LEU N N 31 121.578 121.578 124.692 -3.114 25536 6489 1 14 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.160 -0.105 25536 6490 1 14 . 1 1 31 31 LEU C C 31 174.261 174.261 175.927 -1.666 25536 6491 1 14 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.866 0.330 25536 6492 1 14 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.623 0.227 25536 6493 1 14 . 1 1 31 31 LEU H H 31 8.584 8.584 8.922 -0.338 25536 6494 1 14 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.160 -0.027 25536 6495 1 14 . 1 1 32 32 PRO CA C 32 66.578 66.578 66.005 0.573 25536 6496 1 14 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.106 0.371 25536 6497 1 14 . 1 1 33 33 LEU N N 33 113.190 113.190 119.408 -6.218 25536 6498 1 14 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.099 -0.124 25536 6499 1 14 . 1 1 33 33 LEU C C 33 177.726 177.726 178.247 -0.521 25536 6500 1 14 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.323 -1.183 25536 6501 1 14 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.459 0.389 25536 6502 1 14 . 1 1 33 33 LEU H H 33 6.605 6.605 7.460 -0.855 25536 6503 1 14 . 1 1 34 34 LEU N N 34 121.683 121.683 120.533 1.150 25536 6504 1 14 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.841 -0.459 25536 6505 1 14 . 1 1 34 34 LEU C C 34 177.321 177.321 178.238 -0.917 25536 6506 1 14 . 1 1 34 34 LEU CA C 34 58.237 58.237 58.150 0.087 25536 6507 1 14 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.334 0.577 25536 6508 1 14 . 1 1 34 34 LEU H H 34 8.399 8.399 8.443 -0.044 25536 6509 1 14 . 1 1 35 35 LYS N N 35 114.524 114.524 119.490 -4.966 25536 6510 1 14 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.012 -0.219 25536 6511 1 14 . 1 1 35 35 LYS C C 35 180.207 180.207 178.952 1.255 25536 6512 1 14 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.489 0.582 25536 6513 1 14 . 1 1 35 35 LYS CB C 35 32.469 32.469 32.018 0.451 25536 6514 1 14 . 1 1 35 35 LYS H H 35 7.940 7.940 8.216 -0.276 25536 6515 1 14 . 1 1 36 36 ILE N N 36 119.857 119.857 120.388 -0.531 25536 6516 1 14 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.446 -0.142 25536 6517 1 14 . 1 1 36 36 ILE C C 36 176.418 176.418 177.804 -1.386 25536 6518 1 14 . 1 1 36 36 ILE CA C 36 64.480 64.480 65.434 -0.954 25536 6519 1 14 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.614 -0.010 25536 6520 1 14 . 1 1 36 36 ILE H H 36 6.742 6.742 7.556 -0.814 25536 6521 1 14 . 1 1 37 37 LEU N N 37 116.695 116.695 118.932 -2.237 25536 6522 1 14 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.934 -0.412 25536 6523 1 14 . 1 1 37 37 LEU C C 37 180.263 180.263 179.547 0.716 25536 6524 1 14 . 1 1 37 37 LEU CA C 37 58.280 58.280 57.800 0.480 25536 6525 1 14 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.800 -1.662 25536 6526 1 14 . 1 1 37 37 LEU H H 37 7.595 7.595 7.672 -0.077 25536 6527 1 14 . 1 1 38 38 HIS N N 38 117.829 117.829 117.750 0.079 25536 6528 1 14 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.227 0.455 25536 6529 1 14 . 1 1 38 38 HIS C C 38 180.133 180.133 178.091 2.042 25536 6530 1 14 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.599 -1.308 25536 6531 1 14 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.263 1.148 25536 6532 1 14 . 1 1 38 38 HIS H H 38 8.955 8.955 8.642 0.313 25536 6533 1 14 . 1 1 39 39 ALA N N 39 124.006 124.006 121.599 2.407 25536 6534 1 14 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.250 -0.004 25536 6535 1 14 . 1 1 39 39 ALA C C 39 178.835 178.835 178.466 0.369 25536 6536 1 14 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.421 0.664 25536 6537 1 14 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.420 -0.309 25536 6538 1 14 . 1 1 39 39 ALA H H 39 7.945 7.945 8.357 -0.412 25536 6539 1 14 . 1 1 40 40 ALA N N 40 118.201 118.201 119.466 -1.265 25536 6540 1 14 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.413 0.008 25536 6541 1 14 . 1 1 40 40 ALA C C 40 176.261 176.261 178.056 -1.795 25536 6542 1 14 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.548 -0.412 25536 6543 1 14 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.261 0.851 25536 6544 1 14 . 1 1 40 40 ALA H H 40 7.665 7.665 7.532 0.133 25536 6545 1 14 . 1 1 41 41 GLY N N 41 103.920 103.920 107.591 -3.671 25536 6546 1 14 . 1 1 41 41 GLY C C 41 174.412 174.412 174.255 0.157 25536 6547 1 14 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.722 0.245 25536 6548 1 14 . 1 1 41 41 GLY H H 41 7.683 7.683 7.742 -0.059 25536 6549 1 14 . 1 1 42 42 ALA N N 42 123.582 123.582 121.029 2.553 25536 6550 1 14 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.405 0.230 25536 6551 1 14 . 1 1 42 42 ALA C C 42 175.772 175.772 177.377 -1.605 25536 6552 1 14 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.468 1.212 25536 6553 1 14 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.119 0.237 25536 6554 1 14 . 1 1 42 42 ALA H H 42 7.578 7.578 7.473 0.105 25536 6555 1 14 . 1 1 43 43 GLN N N 43 116.996 116.996 120.281 -3.285 25536 6556 1 14 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.394 -0.045 25536 6557 1 14 . 1 1 43 43 GLN C C 43 175.528 175.528 175.495 0.033 25536 6558 1 14 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.618 -0.967 25536 6559 1 14 . 1 1 43 43 GLN CB C 43 32.414 32.414 28.875 3.539 25536 6560 1 14 . 1 1 43 43 GLN H H 43 8.481 8.481 8.518 -0.037 25536 6561 1 14 . 1 1 44 44 GLY N N 44 108.128 108.128 108.143 -0.015 25536 6562 1 14 . 1 1 44 44 GLY C C 44 173.892 173.892 172.739 1.153 25536 6563 1 14 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.583 -0.885 25536 6564 1 14 . 1 1 44 44 GLY H H 44 8.510 8.510 7.583 0.927 25536 6565 1 14 . 1 1 45 45 GLU N N 45 114.113 114.113 118.882 -4.769 25536 6566 1 14 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.370 0.238 25536 6567 1 14 . 1 1 45 45 GLU C C 45 174.007 174.007 174.802 -0.795 25536 6568 1 14 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.801 1.028 25536 6569 1 14 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.638 1.413 25536 6570 1 14 . 1 1 45 45 GLU H H 45 8.245 8.245 8.206 0.039 25536 6571 1 14 . 1 1 46 46 MET N N 46 115.322 115.322 118.268 -2.946 25536 6572 1 14 . 1 1 46 46 MET HA H 46 5.051 5.051 4.315 0.736 25536 6573 1 14 . 1 1 46 46 MET C C 46 174.637 174.637 174.193 0.444 25536 6574 1 14 . 1 1 46 46 MET CA C 46 54.264 54.264 54.447 -0.183 25536 6575 1 14 . 1 1 46 46 MET CB C 46 35.854 35.854 34.134 1.720 25536 6576 1 14 . 1 1 46 46 MET H H 46 6.872 6.872 7.089 -0.217 25536 6577 1 14 . 1 1 47 47 PHE N N 47 119.008 119.008 118.585 0.423 25536 6578 1 14 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.158 -0.064 25536 6579 1 14 . 1 1 47 47 PHE C C 47 175.742 175.742 174.987 0.755 25536 6580 1 14 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.811 1.527 25536 6581 1 14 . 1 1 47 47 PHE CB C 47 46.912 46.912 40.850 6.061 25536 6582 1 14 . 1 1 47 47 PHE H H 47 8.623 8.623 8.911 -0.288 25536 6583 1 14 . 1 1 48 48 THR N N 48 110.544 110.544 111.571 -1.027 25536 6584 1 14 . 1 1 48 48 THR HA H 48 4.990 4.990 4.585 0.405 25536 6585 1 14 . 1 1 48 48 THR C C 48 176.666 176.666 176.282 0.384 25536 6586 1 14 . 1 1 48 48 THR CA C 48 61.095 61.095 60.436 0.659 25536 6587 1 14 . 1 1 48 48 THR CB C 48 71.136 71.136 70.927 0.209 25536 6588 1 14 . 1 1 48 48 THR H H 48 9.108 9.108 9.260 -0.152 25536 6589 1 14 . 1 1 49 49 VAL N N 49 121.588 121.588 121.291 0.297 25536 6590 1 14 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.621 -0.240 25536 6591 1 14 . 1 1 49 49 VAL C C 49 177.726 177.726 177.552 0.174 25536 6592 1 14 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.499 0.742 25536 6593 1 14 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.575 -0.020 25536 6594 1 14 . 1 1 49 49 VAL H H 49 9.044 9.044 9.048 -0.004 25536 6595 1 14 . 1 1 50 50 LYS N N 50 118.341 118.341 116.582 1.759 25536 6596 1 14 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.046 -0.087 25536 6597 1 14 . 1 1 50 50 LYS C C 50 180.060 180.060 178.071 1.989 25536 6598 1 14 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.043 1.313 25536 6599 1 14 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.613 1.226 25536 6600 1 14 . 1 1 50 50 LYS H H 50 8.132 8.132 8.363 -0.231 25536 6601 1 14 . 1 1 51 51 GLU N N 51 119.521 119.521 120.055 -0.534 25536 6602 1 14 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.945 0.101 25536 6603 1 14 . 1 1 51 51 GLU C C 51 178.583 178.583 178.441 0.142 25536 6604 1 14 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.978 0.925 25536 6605 1 14 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.185 1.271 25536 6606 1 14 . 1 1 51 51 GLU H H 51 7.877 7.877 7.444 0.433 25536 6607 1 14 . 1 1 52 52 VAL N N 52 119.044 119.044 117.201 1.843 25536 6608 1 14 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.438 -0.188 25536 6609 1 14 . 1 1 52 52 VAL C C 52 177.546 177.546 177.958 -0.412 25536 6610 1 14 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.739 2.162 25536 6611 1 14 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.625 -0.248 25536 6612 1 14 . 1 1 52 52 VAL H H 52 8.245 8.245 8.285 -0.040 25536 6613 1 14 . 1 1 53 53 MET N N 53 114.669 114.669 116.706 -2.037 25536 6614 1 14 . 1 1 53 53 MET HA H 53 4.198 4.198 4.027 0.171 25536 6615 1 14 . 1 1 53 53 MET C C 53 178.699 178.699 177.274 1.425 25536 6616 1 14 . 1 1 53 53 MET CA C 53 57.748 57.748 58.326 -0.578 25536 6617 1 14 . 1 1 53 53 MET CB C 53 32.680 32.680 31.869 0.811 25536 6618 1 14 . 1 1 53 53 MET H H 53 8.188 8.188 8.155 0.033 25536 6619 1 14 . 1 1 54 54 HIS N N 54 118.909 118.909 120.439 -1.530 25536 6620 1 14 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.099 0.018 25536 6621 1 14 . 1 1 54 54 HIS C C 54 178.675 178.675 176.770 1.905 25536 6622 1 14 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.745 -0.473 25536 6623 1 14 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.708 0.889 25536 6624 1 14 . 1 1 54 54 HIS H H 54 8.091 8.091 7.613 0.478 25536 6625 1 14 . 1 1 55 55 TYR N N 55 116.769 116.769 117.246 -0.477 25536 6626 1 14 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.489 -0.637 25536 6627 1 14 . 1 1 55 55 TYR C C 55 177.794 177.794 178.055 -0.261 25536 6628 1 14 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.053 3.664 25536 6629 1 14 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.192 1.937 25536 6630 1 14 . 1 1 55 55 TYR H H 55 8.468 8.468 7.099 1.369 25536 6631 1 14 . 1 1 56 56 LEU N N 56 120.819 120.819 120.835 -0.016 25536 6632 1 14 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.887 -0.078 25536 6633 1 14 . 1 1 56 56 LEU C C 56 178.484 178.484 179.173 -0.689 25536 6634 1 14 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.763 0.859 25536 6635 1 14 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.121 1.460 25536 6636 1 14 . 1 1 56 56 LEU H H 56 8.455 8.455 7.405 1.050 25536 6637 1 14 . 1 1 57 57 GLY N N 57 104.896 104.896 106.770 -1.874 25536 6638 1 14 . 1 1 57 57 GLY C C 57 175.647 175.647 175.733 -0.086 25536 6639 1 14 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.205 0.034 25536 6640 1 14 . 1 1 57 57 GLY H H 57 7.691 7.691 8.228 -0.537 25536 6641 1 14 . 1 1 58 58 GLN N N 58 119.080 119.080 121.864 -2.784 25536 6642 1 14 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.969 -0.157 25536 6643 1 14 . 1 1 58 58 GLN C C 58 177.429 177.429 177.756 -0.327 25536 6644 1 14 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.513 0.165 25536 6645 1 14 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.356 0.519 25536 6646 1 14 . 1 1 58 58 GLN H H 58 7.704 7.704 7.964 -0.260 25536 6647 1 14 . 1 1 59 59 TYR N N 59 120.995 120.995 122.425 -1.430 25536 6648 1 14 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.221 -0.417 25536 6649 1 14 . 1 1 59 59 TYR C C 59 176.215 176.215 177.503 -1.288 25536 6650 1 14 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.245 0.320 25536 6651 1 14 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.763 -0.144 25536 6652 1 14 . 1 1 59 59 TYR H H 59 8.500 8.500 8.121 0.379 25536 6653 1 14 . 1 1 60 60 ILE N N 60 116.532 116.532 119.430 -2.898 25536 6654 1 14 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.660 -0.357 25536 6655 1 14 . 1 1 60 60 ILE C C 60 177.952 177.952 178.319 -0.367 25536 6656 1 14 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.816 -0.269 25536 6657 1 14 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.970 0.461 25536 6658 1 14 . 1 1 60 60 ILE H H 60 7.585 7.585 8.777 -1.192 25536 6659 1 14 . 1 1 61 61 MET N N 61 115.556 115.556 119.586 -4.030 25536 6660 1 14 . 1 1 61 61 MET HA H 61 4.547 4.547 4.346 0.201 25536 6661 1 14 . 1 1 61 61 MET C C 61 180.579 180.579 178.017 2.562 25536 6662 1 14 . 1 1 61 61 MET CA C 61 57.563 57.563 58.244 -0.681 25536 6663 1 14 . 1 1 61 61 MET CB C 61 31.473 31.473 32.594 -1.121 25536 6664 1 14 . 1 1 61 61 MET H H 61 7.707 7.707 8.050 -0.343 25536 6665 1 14 . 1 1 62 62 VAL N N 62 120.872 120.872 118.529 2.343 25536 6666 1 14 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.755 0.073 25536 6667 1 14 . 1 1 62 62 VAL C C 62 178.786 178.786 177.425 1.361 25536 6668 1 14 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.518 1.594 25536 6669 1 14 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.192 -0.201 25536 6670 1 14 . 1 1 62 62 VAL H H 62 9.009 9.009 8.366 0.643 25536 6671 1 14 . 1 1 63 63 LYS N N 63 116.652 116.652 118.012 -1.360 25536 6672 1 14 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.109 -0.052 25536 6673 1 14 . 1 1 63 63 LYS C C 63 174.784 174.784 175.828 -1.044 25536 6674 1 14 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.715 0.368 25536 6675 1 14 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.120 -0.658 25536 6676 1 14 . 1 1 63 63 LYS H H 63 7.812 7.812 8.121 -0.309 25536 6677 1 14 . 1 1 64 64 GLN N N 64 115.445 115.445 114.168 1.277 25536 6678 1 14 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.947 -0.341 25536 6679 1 14 . 1 1 64 64 GLN C C 64 175.550 175.550 175.263 0.287 25536 6680 1 14 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.611 0.368 25536 6681 1 14 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.112 1.136 25536 6682 1 14 . 1 1 64 64 GLN H H 64 7.642 7.642 8.044 -0.402 25536 6683 1 14 . 1 1 65 65 LEU N N 65 115.724 115.724 119.785 -4.061 25536 6684 1 14 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.482 -0.025 25536 6685 1 14 . 1 1 65 65 LEU C C 65 175.979 175.979 175.595 0.384 25536 6686 1 14 . 1 1 65 65 LEU CA C 65 54.654 54.654 53.981 0.673 25536 6687 1 14 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.282 0.668 25536 6688 1 14 . 1 1 65 65 LEU H H 65 8.097 8.097 7.684 0.413 25536 6689 1 14 . 1 1 66 66 TYR N N 66 112.953 112.953 114.767 -1.814 25536 6690 1 14 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.273 0.019 25536 6691 1 14 . 1 1 66 66 TYR C C 66 173.941 173.941 174.540 -0.599 25536 6692 1 14 . 1 1 66 66 TYR CA C 66 54.629 54.629 54.023 0.606 25536 6693 1 14 . 1 1 66 66 TYR CB C 66 39.748 39.748 41.197 -1.449 25536 6694 1 14 . 1 1 66 66 TYR H H 66 6.856 6.856 6.714 0.142 25536 6695 1 14 . 1 1 67 67 ASP N N 67 122.196 122.196 121.726 0.470 25536 6696 1 14 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.782 -0.344 25536 6697 1 14 . 1 1 67 67 ASP C C 67 176.779 176.779 177.866 -1.087 25536 6698 1 14 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.721 0.259 25536 6699 1 14 . 1 1 67 67 ASP CB C 67 43.532 43.532 42.862 0.670 25536 6700 1 14 . 1 1 67 67 ASP H H 67 8.324 8.324 8.313 0.011 25536 6701 1 14 . 1 1 68 68 GLN N N 68 123.042 123.042 125.058 -2.016 25536 6702 1 14 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.009 -0.123 25536 6703 1 14 . 1 1 68 68 GLN C C 68 177.122 177.122 176.949 0.173 25536 6704 1 14 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.560 0.471 25536 6705 1 14 . 1 1 68 68 GLN CB C 68 29.087 29.087 27.771 1.316 25536 6706 1 14 . 1 1 68 68 GLN H H 68 8.563 8.563 8.835 -0.272 25536 6707 1 14 . 1 1 69 69 GLN N N 69 115.263 115.263 117.884 -2.621 25536 6708 1 14 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.316 0.041 25536 6709 1 14 . 1 1 69 69 GLN C C 69 176.272 176.272 176.453 -0.181 25536 6710 1 14 . 1 1 69 69 GLN CA C 69 57.129 57.129 56.770 0.359 25536 6711 1 14 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.665 0.459 25536 6712 1 14 . 1 1 69 69 GLN H H 69 8.356 8.356 8.294 0.062 25536 6713 1 14 . 1 1 70 70 GLU N N 70 122.549 122.549 119.466 3.083 25536 6714 1 14 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.498 0.021 25536 6715 1 14 . 1 1 70 70 GLU C C 70 175.953 175.953 175.978 -0.025 25536 6716 1 14 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.668 -0.711 25536 6717 1 14 . 1 1 70 70 GLU CB C 70 29.560 29.560 30.226 -0.666 25536 6718 1 14 . 1 1 70 70 GLU H H 70 8.227 8.227 7.590 0.637 25536 6719 1 14 . 1 1 71 71 GLN N N 71 118.815 118.815 121.983 -3.168 25536 6720 1 14 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.205 0.347 25536 6721 1 14 . 1 1 71 71 GLN C C 71 174.842 174.842 176.398 -1.556 25536 6722 1 14 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.451 1.246 25536 6723 1 14 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.503 -0.573 25536 6724 1 14 . 1 1 71 71 GLN H H 71 8.253 8.253 8.799 -0.546 25536 6725 1 14 . 1 1 72 72 HIS N N 72 111.141 111.141 110.638 0.503 25536 6726 1 14 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.509 -0.336 25536 6727 1 14 . 1 1 72 72 HIS C C 72 173.749 173.749 174.634 -0.885 25536 6728 1 14 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.222 1.037 25536 6729 1 14 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.432 1.640 25536 6730 1 14 . 1 1 72 72 HIS H H 72 7.412 7.412 7.427 -0.015 25536 6731 1 14 . 1 1 73 73 MET N N 73 119.350 119.350 121.372 -2.022 25536 6732 1 14 . 1 1 73 73 MET HA H 73 4.584 4.584 4.428 0.156 25536 6733 1 14 . 1 1 73 73 MET C C 73 174.311 174.311 174.011 0.300 25536 6734 1 14 . 1 1 73 73 MET CA C 73 53.186 53.186 54.355 -1.169 25536 6735 1 14 . 1 1 73 73 MET CB C 73 31.731 31.731 33.474 -1.743 25536 6736 1 14 . 1 1 73 73 MET H H 73 7.766 7.766 7.433 0.333 25536 6737 1 14 . 1 1 74 74 VAL N N 74 122.542 122.542 126.893 -4.351 25536 6738 1 14 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.435 -0.487 25536 6739 1 14 . 1 1 74 74 VAL C C 74 174.756 174.756 174.211 0.545 25536 6740 1 14 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.851 0.771 25536 6741 1 14 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.843 -0.029 25536 6742 1 14 . 1 1 74 74 VAL H H 74 8.456 8.456 8.577 -0.121 25536 6743 1 14 . 1 1 75 75 TYR N N 75 125.680 125.680 126.425 -0.745 25536 6744 1 14 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.196 -0.437 25536 6745 1 14 . 1 1 75 75 TYR C C 75 174.923 174.923 175.040 -0.117 25536 6746 1 14 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.031 0.782 25536 6747 1 14 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.884 -0.035 25536 6748 1 14 . 1 1 75 75 TYR H H 75 8.213 8.213 9.022 -0.809 25536 6749 1 14 . 1 1 76 76 CYS N N 76 116.702 116.702 121.026 -4.324 25536 6750 1 14 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.630 0.109 25536 6751 1 14 . 1 1 76 76 CYS C C 76 174.231 174.231 175.052 -0.821 25536 6752 1 14 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.191 -2.088 25536 6753 1 14 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.744 1.953 25536 6754 1 14 . 1 1 76 76 CYS H H 76 8.307 8.307 8.873 -0.566 25536 6755 1 14 . 1 1 77 77 GLY N N 77 111.569 111.569 109.376 2.193 25536 6756 1 14 . 1 1 77 77 GLY C C 77 174.662 174.662 175.064 -0.402 25536 6757 1 14 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.360 0.789 25536 6758 1 14 . 1 1 77 77 GLY H H 77 8.484 8.484 7.905 0.579 25536 6759 1 14 . 1 1 78 78 GLY N N 78 113.022 113.022 112.906 0.116 25536 6760 1 14 . 1 1 78 78 GLY C C 78 172.811 172.811 174.282 -1.471 25536 6761 1 14 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.881 0.879 25536 6762 1 14 . 1 1 78 78 GLY H H 78 8.889 8.889 8.633 0.256 25536 6763 1 14 . 1 1 79 79 ASP N N 79 119.431 119.431 120.059 -0.628 25536 6764 1 14 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.858 0.030 25536 6765 1 14 . 1 1 79 79 ASP C C 79 176.302 176.302 176.071 0.231 25536 6766 1 14 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.215 -0.123 25536 6767 1 14 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.867 4.397 25536 6768 1 14 . 1 1 79 79 ASP H H 79 7.789 7.789 7.834 -0.045 25536 6769 1 14 . 1 1 80 80 LEU N N 80 128.421 128.421 124.441 3.980 25536 6770 1 14 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.257 -0.193 25536 6771 1 14 . 1 1 80 80 LEU C C 80 179.059 179.059 178.737 0.322 25536 6772 1 14 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.624 1.179 25536 6773 1 14 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.374 0.029 25536 6774 1 14 . 1 1 80 80 LEU H H 80 8.549 8.549 8.999 -0.450 25536 6775 1 14 . 1 1 81 81 LEU N N 81 118.633 118.633 119.749 -1.116 25536 6776 1 14 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.993 -0.126 25536 6777 1 14 . 1 1 81 81 LEU C C 81 178.542 178.542 178.336 0.206 25536 6778 1 14 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.939 0.832 25536 6779 1 14 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.216 1.433 25536 6780 1 14 . 1 1 81 81 LEU H H 81 9.973 9.973 8.879 1.094 25536 6781 1 14 . 1 1 82 82 GLY N N 82 105.564 105.564 105.957 -0.393 25536 6782 1 14 . 1 1 82 82 GLY C C 82 176.907 176.907 175.788 1.119 25536 6783 1 14 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.187 0.876 25536 6784 1 14 . 1 1 82 82 GLY H H 82 7.559 7.559 8.483 -0.924 25536 6785 1 14 . 1 1 83 83 GLU N N 83 121.706 121.706 122.563 -0.857 25536 6786 1 14 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.099 -0.117 25536 6787 1 14 . 1 1 83 83 GLU C C 83 179.215 179.215 178.705 0.510 25536 6788 1 14 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.799 0.362 25536 6789 1 14 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.544 -0.051 25536 6790 1 14 . 1 1 83 83 GLU H H 83 7.536 7.536 8.082 -0.546 25536 6791 1 14 . 1 1 84 84 LEU N N 84 118.455 118.455 120.803 -2.348 25536 6792 1 14 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.059 -0.035 25536 6793 1 14 . 1 1 84 84 LEU C C 84 178.842 178.842 178.391 0.451 25536 6794 1 14 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.288 0.187 25536 6795 1 14 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.071 0.416 25536 6796 1 14 . 1 1 84 84 LEU H H 84 7.701 7.701 7.987 -0.286 25536 6797 1 14 . 1 1 85 85 LEU N N 85 115.271 115.271 115.369 -0.098 25536 6798 1 14 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.988 -0.212 25536 6799 1 14 . 1 1 85 85 LEU C C 85 177.773 177.773 177.915 -0.142 25536 6800 1 14 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.142 0.233 25536 6801 1 14 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.486 1.407 25536 6802 1 14 . 1 1 85 85 LEU H H 85 8.117 8.117 7.963 0.154 25536 6803 1 14 . 1 1 86 86 GLY N N 86 107.216 107.216 105.047 2.169 25536 6804 1 14 . 1 1 86 86 GLY C C 86 174.090 174.090 173.846 0.244 25536 6805 1 14 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.266 1.049 25536 6806 1 14 . 1 1 86 86 GLY H H 86 7.983 7.983 8.063 -0.080 25536 6807 1 14 . 1 1 87 87 ARG N N 87 113.296 113.296 116.645 -3.349 25536 6808 1 14 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.685 -0.031 25536 6809 1 14 . 1 1 87 87 ARG C C 87 174.720 174.720 174.955 -0.235 25536 6810 1 14 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.995 0.284 25536 6811 1 14 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.751 2.644 25536 6812 1 14 . 1 1 87 87 ARG H H 87 7.411 7.411 7.587 -0.176 25536 6813 1 14 . 1 1 88 88 GLN N N 88 115.575 115.575 119.881 -4.306 25536 6814 1 14 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.254 -0.201 25536 6815 1 14 . 1 1 88 88 GLN C C 88 175.946 175.946 174.924 1.022 25536 6816 1 14 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.419 -0.007 25536 6817 1 14 . 1 1 88 88 GLN CB C 88 29.790 29.790 28.921 0.869 25536 6818 1 14 . 1 1 88 88 GLN H H 88 8.653 8.653 8.845 -0.192 25536 6819 1 14 . 1 1 89 89 SER N N 89 110.451 110.451 111.225 -0.774 25536 6820 1 14 . 1 1 89 89 SER HA H 89 5.428 5.428 5.167 0.261 25536 6821 1 14 . 1 1 89 89 SER C C 89 173.062 173.062 172.831 0.231 25536 6822 1 14 . 1 1 89 89 SER CA C 89 57.011 57.011 56.129 0.882 25536 6823 1 14 . 1 1 89 89 SER CB C 89 66.560 66.560 66.225 0.335 25536 6824 1 14 . 1 1 89 89 SER H H 89 7.625 7.625 7.374 0.251 25536 6825 1 14 . 1 1 90 90 PHE N N 90 115.159 115.159 116.695 -1.536 25536 6826 1 14 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.947 -0.262 25536 6827 1 14 . 1 1 90 90 PHE C C 90 170.337 170.337 172.375 -2.038 25536 6828 1 14 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.148 0.050 25536 6829 1 14 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.309 0.103 25536 6830 1 14 . 1 1 90 90 PHE H H 90 8.549 8.549 8.098 0.451 25536 6831 1 14 . 1 1 91 91 SER N N 91 113.637 113.637 113.949 -0.312 25536 6832 1 14 . 1 1 91 91 SER HA H 91 5.350 5.350 4.966 0.384 25536 6833 1 14 . 1 1 91 91 SER C C 91 178.100 178.100 176.082 2.018 25536 6834 1 14 . 1 1 91 91 SER CA C 91 54.748 54.748 54.918 -0.170 25536 6835 1 14 . 1 1 91 91 SER CB C 91 65.325 65.325 65.741 -0.416 25536 6836 1 14 . 1 1 91 91 SER H H 91 9.010 9.010 8.064 0.946 25536 6837 1 14 . 1 1 92 92 VAL N N 92 120.560 120.560 127.565 -7.005 25536 6838 1 14 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.807 0.101 25536 6839 1 14 . 1 1 92 92 VAL C C 92 175.704 175.704 176.544 -0.840 25536 6840 1 14 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.721 -1.721 25536 6841 1 14 . 1 1 92 92 VAL CB C 92 30.800 30.800 32.065 -1.265 25536 6842 1 14 . 1 1 92 92 VAL H H 92 8.948 8.948 9.104 -0.156 25536 6843 1 14 . 1 1 93 93 LYS N N 93 116.481 116.481 118.175 -1.694 25536 6844 1 14 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.354 -0.407 25536 6845 1 14 . 1 1 93 93 LYS C C 93 177.088 177.088 175.843 1.245 25536 6846 1 14 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.620 1.079 25536 6847 1 14 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.427 -1.169 25536 6848 1 14 . 1 1 93 93 LYS H H 93 8.086 8.086 7.740 0.346 25536 6849 1 14 . 1 1 94 94 ASP N N 94 114.885 114.885 119.346 -4.461 25536 6850 1 14 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.087 -0.145 25536 6851 1 14 . 1 1 94 94 ASP C C 94 173.021 173.021 174.931 -1.910 25536 6852 1 14 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.740 -0.151 25536 6853 1 14 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.911 -0.466 25536 6854 1 14 . 1 1 94 94 ASP H H 94 7.399 7.399 7.792 -0.393 25536 6855 1 14 . 1 1 95 95 PRO HA H 95 4.418 4.418 5.003 -0.585 25536 6856 1 14 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.452 0.195 25536 6857 1 14 . 1 1 95 95 PRO CB C 95 32.760 32.760 33.037 -0.277 25536 6858 1 14 . 1 1 96 96 SER N N 96 118.790 118.790 117.351 1.439 25536 6859 1 14 . 1 1 96 96 SER HA H 96 4.219 4.219 4.263 -0.044 25536 6860 1 14 . 1 1 96 96 SER C C 96 173.615 173.615 174.054 -0.439 25536 6861 1 14 . 1 1 96 96 SER CA C 96 64.525 64.525 63.772 0.753 25536 6862 1 14 . 1 1 96 96 SER CB C 96 61.994 61.994 61.186 0.808 25536 6863 1 14 . 1 1 96 96 SER H H 96 8.052 8.052 8.759 -0.707 25536 6864 1 14 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.427 -0.080 25536 6865 1 14 . 1 1 97 97 PRO CA C 97 66.016 66.016 64.960 1.056 25536 6866 1 14 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.411 0.201 25536 6867 1 14 . 1 1 98 98 LEU N N 98 117.938 117.938 119.067 -1.129 25536 6868 1 14 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.922 -0.326 25536 6869 1 14 . 1 1 98 98 LEU C C 98 178.196 178.196 178.143 0.053 25536 6870 1 14 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.951 -0.667 25536 6871 1 14 . 1 1 98 98 LEU CB C 98 41.409 41.409 40.271 1.138 25536 6872 1 14 . 1 1 98 98 LEU H H 98 7.076 7.076 7.599 -0.523 25536 6873 1 14 . 1 1 99 99 TYR N N 99 117.957 117.957 117.875 0.082 25536 6874 1 14 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.036 0.114 25536 6875 1 14 . 1 1 99 99 TYR C C 99 178.767 178.767 178.181 0.586 25536 6876 1 14 . 1 1 99 99 TYR CA C 99 61.223 61.223 62.045 -0.823 25536 6877 1 14 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.577 -0.539 25536 6878 1 14 . 1 1 99 99 TYR H H 99 7.547 7.547 7.579 -0.032 25536 6879 1 14 . 1 1 100 100 ASP N N 100 119.536 119.536 120.103 -0.567 25536 6880 1 14 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.398 -0.072 25536 6881 1 14 . 1 1 100 100 ASP C C 100 177.737 177.737 178.046 -0.309 25536 6882 1 14 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.160 0.716 25536 6883 1 14 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.989 0.152 25536 6884 1 14 . 1 1 100 100 ASP H H 100 8.292 8.292 7.656 0.636 25536 6885 1 14 . 1 1 101 101 MET N N 101 118.757 118.757 118.162 0.595 25536 6886 1 14 . 1 1 101 101 MET HA H 101 3.964 3.964 4.162 -0.198 25536 6887 1 14 . 1 1 101 101 MET C C 101 180.006 180.006 176.985 3.021 25536 6888 1 14 . 1 1 101 101 MET CA C 101 59.710 59.710 58.683 1.027 25536 6889 1 14 . 1 1 101 101 MET CB C 101 31.642 31.642 32.569 -0.927 25536 6890 1 14 . 1 1 101 101 MET H H 101 7.226 7.226 7.817 -0.591 25536 6891 1 14 . 1 1 102 102 LEU N N 102 121.624 121.624 118.574 3.050 25536 6892 1 14 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.086 -0.390 25536 6893 1 14 . 1 1 102 102 LEU C C 102 178.566 178.566 178.987 -0.421 25536 6894 1 14 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.878 2.049 25536 6895 1 14 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.617 -0.132 25536 6896 1 14 . 1 1 102 102 LEU H H 102 8.472 8.472 7.654 0.818 25536 6897 1 14 . 1 1 103 103 ARG N N 103 117.111 117.111 118.689 -1.578 25536 6898 1 14 . 1 1 103 103 ARG HA H 103 3.970 3.970 3.998 -0.028 25536 6899 1 14 . 1 1 103 103 ARG C C 103 178.818 178.818 177.951 0.867 25536 6900 1 14 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.466 0.037 25536 6901 1 14 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.374 -0.079 25536 6902 1 14 . 1 1 103 103 ARG H H 103 7.932 7.932 8.338 -0.406 25536 6903 1 14 . 1 1 104 104 LYS N N 104 114.172 114.172 113.802 0.370 25536 6904 1 14 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.439 -0.217 25536 6905 1 14 . 1 1 104 104 LYS C C 104 177.556 177.556 177.181 0.375 25536 6906 1 14 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.629 1.331 25536 6907 1 14 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.118 2.109 25536 6908 1 14 . 1 1 104 104 LYS H H 104 7.157 7.157 7.589 -0.432 25536 6909 1 14 . 1 1 105 105 ASN N N 105 114.145 114.145 117.833 -3.688 25536 6910 1 14 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.864 -0.133 25536 6911 1 14 . 1 1 105 105 ASN C C 105 172.822 172.822 173.715 -0.893 25536 6912 1 14 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.192 0.651 25536 6913 1 14 . 1 1 105 105 ASN CB C 105 42.645 42.645 41.365 1.280 25536 6914 1 14 . 1 1 105 105 ASN H H 105 7.665 7.665 8.003 -0.338 25536 6915 1 14 . 1 1 106 106 LEU N N 106 118.600 118.600 119.812 -1.212 25536 6916 1 14 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.814 -0.143 25536 6917 1 14 . 1 1 106 106 LEU C C 106 175.658 175.658 174.359 1.299 25536 6918 1 14 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.497 -0.339 25536 6919 1 14 . 1 1 106 106 LEU CB C 106 43.565 43.565 45.158 -1.593 25536 6920 1 14 . 1 1 106 106 LEU H H 106 7.439 7.439 8.112 -0.673 25536 6921 1 14 . 1 1 107 107 VAL N N 107 122.739 122.739 124.337 -1.598 25536 6922 1 14 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.302 -0.094 25536 6923 1 14 . 1 1 107 107 VAL C C 107 176.054 176.054 175.174 0.880 25536 6924 1 14 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.693 0.523 25536 6925 1 14 . 1 1 107 107 VAL CB C 107 33.580 33.580 33.391 0.189 25536 6926 1 14 . 1 1 107 107 VAL H H 107 8.182 8.182 8.240 -0.058 25536 6927 1 14 . 1 1 108 108 THR N N 108 120.854 120.854 115.829 5.025 25536 6928 1 14 . 1 1 108 108 THR HA H 108 4.336 4.336 4.635 -0.299 25536 6929 1 14 . 1 1 108 108 THR C C 108 174.216 174.216 174.518 -0.302 25536 6930 1 14 . 1 1 108 108 THR CA C 108 62.726 62.726 59.796 2.930 25536 6931 1 14 . 1 1 108 108 THR CB C 108 70.080 70.080 70.625 -0.545 25536 6932 1 14 . 1 1 108 108 THR H H 108 8.524 8.524 8.201 0.323 25536 6933 1 14 . 1 1 109 109 LEU N N 109 125.529 125.529 123.108 2.421 25536 6934 1 14 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.314 0.038 25536 6935 1 14 . 1 1 109 109 LEU C C 109 176.523 176.523 176.383 0.140 25536 6936 1 14 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.780 -0.733 25536 6937 1 14 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.208 0.382 25536 6938 1 14 . 1 1 109 109 LEU H H 109 8.313 8.313 8.752 -0.439 25536 6939 1 14 . 1 1 110 110 ALA N N 110 125.099 125.099 121.564 3.535 25536 6940 1 14 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.322 0.044 25536 6941 1 14 . 1 1 110 110 ALA C C 110 176.847 176.847 176.963 -0.116 25536 6942 1 14 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.731 -0.103 25536 6943 1 14 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.570 0.136 25536 6944 1 14 . 1 1 110 110 ALA H H 110 8.257 8.257 7.652 0.605 25536 6945 1 15 . 1 1 24 24 ILE N N 24 120.668 120.668 119.996 0.672 25536 6946 1 15 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.448 0.699 25536 6947 1 15 . 1 1 24 24 ILE C C 24 175.650 175.650 175.777 -0.127 25536 6948 1 15 . 1 1 24 24 ILE CA C 24 61.342 61.342 63.198 -1.856 25536 6949 1 15 . 1 1 24 24 ILE CB C 24 39.067 39.067 37.186 1.881 25536 6950 1 15 . 1 1 24 24 ILE H H 24 8.119 8.119 8.319 -0.200 25536 6951 1 15 . 1 1 25 25 ASN N N 25 122.032 122.032 117.022 5.010 25536 6952 1 15 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.293 0.411 25536 6953 1 15 . 1 1 25 25 ASN C C 25 174.775 174.775 174.002 0.773 25536 6954 1 15 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.666 0.063 25536 6955 1 15 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.688 1.718 25536 6956 1 15 . 1 1 25 25 ASN H H 25 8.446 8.446 8.376 0.070 25536 6957 1 15 . 1 1 26 26 GLN N N 26 118.655 118.655 117.429 1.226 25536 6958 1 15 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.812 -0.225 25536 6959 1 15 . 1 1 26 26 GLN C C 26 175.291 175.291 174.456 0.835 25536 6960 1 15 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.932 0.770 25536 6961 1 15 . 1 1 26 26 GLN CB C 26 32.258 32.258 31.895 0.363 25536 6962 1 15 . 1 1 26 26 GLN H H 26 8.215 8.215 7.812 0.403 25536 6963 1 15 . 1 1 27 27 VAL N N 27 113.749 113.749 120.352 -6.603 25536 6964 1 15 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.272 0.595 25536 6965 1 15 . 1 1 27 27 VAL C C 27 173.900 173.900 174.901 -1.001 25536 6966 1 15 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.461 -1.345 25536 6967 1 15 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.120 1.984 25536 6968 1 15 . 1 1 27 27 VAL H H 27 9.417 9.417 8.499 0.918 25536 6969 1 15 . 1 1 28 28 ARG N N 28 121.515 121.515 124.852 -3.337 25536 6970 1 15 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.120 0.337 25536 6971 1 15 . 1 1 28 28 ARG C C 28 175.090 175.090 175.226 -0.136 25536 6972 1 15 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.872 -1.301 25536 6973 1 15 . 1 1 28 28 ARG CB C 28 33.674 33.674 30.914 2.760 25536 6974 1 15 . 1 1 28 28 ARG H H 28 8.901 8.901 8.455 0.446 25536 6975 1 15 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.423 0.572 25536 6976 1 15 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.379 -0.327 25536 6977 1 15 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.479 -0.218 25536 6978 1 15 . 1 1 30 30 LYS N N 30 121.291 121.291 119.362 1.929 25536 6979 1 15 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.172 0.029 25536 6980 1 15 . 1 1 30 30 LYS C C 30 177.557 177.557 178.410 -0.853 25536 6981 1 15 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.454 1.268 25536 6982 1 15 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.257 0.738 25536 6983 1 15 . 1 1 30 30 LYS H H 30 8.476 8.476 8.159 0.317 25536 6984 1 15 . 1 1 31 31 LEU N N 31 121.578 121.578 123.077 -1.499 25536 6985 1 15 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.090 -0.035 25536 6986 1 15 . 1 1 31 31 LEU C C 31 174.261 174.261 176.914 -2.653 25536 6987 1 15 . 1 1 31 31 LEU CA C 31 60.196 60.196 60.097 0.098 25536 6988 1 15 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.437 0.413 25536 6989 1 15 . 1 1 31 31 LEU H H 31 8.584 8.584 8.874 -0.290 25536 6990 1 15 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.293 -0.160 25536 6991 1 15 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.639 0.939 25536 6992 1 15 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.255 0.222 25536 6993 1 15 . 1 1 33 33 LEU N N 33 113.190 113.190 119.614 -6.424 25536 6994 1 15 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.009 -0.034 25536 6995 1 15 . 1 1 33 33 LEU C C 33 177.726 177.726 179.088 -1.362 25536 6996 1 15 . 1 1 33 33 LEU CA C 33 56.140 56.140 58.023 -1.883 25536 6997 1 15 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.623 0.224 25536 6998 1 15 . 1 1 33 33 LEU H H 33 6.605 6.605 7.438 -0.833 25536 6999 1 15 . 1 1 34 34 LEU N N 34 121.683 121.683 119.993 1.690 25536 7000 1 15 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.857 -0.475 25536 7001 1 15 . 1 1 34 34 LEU C C 34 177.321 177.321 178.167 -0.846 25536 7002 1 15 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.735 0.502 25536 7003 1 15 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.397 0.514 25536 7004 1 15 . 1 1 34 34 LEU H H 34 8.399 8.399 8.518 -0.119 25536 7005 1 15 . 1 1 35 35 LYS N N 35 114.524 114.524 119.390 -4.866 25536 7006 1 15 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.972 -0.179 25536 7007 1 15 . 1 1 35 35 LYS C C 35 180.207 180.207 178.755 1.452 25536 7008 1 15 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.726 0.345 25536 7009 1 15 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.872 0.597 25536 7010 1 15 . 1 1 35 35 LYS H H 35 7.940 7.940 8.117 -0.177 25536 7011 1 15 . 1 1 36 36 ILE N N 36 119.857 119.857 119.477 0.380 25536 7012 1 15 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.527 -0.223 25536 7013 1 15 . 1 1 36 36 ILE C C 36 176.418 176.418 177.782 -1.364 25536 7014 1 15 . 1 1 36 36 ILE CA C 36 64.480 64.480 65.002 -0.522 25536 7015 1 15 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.590 0.014 25536 7016 1 15 . 1 1 36 36 ILE H H 36 6.742 6.742 7.336 -0.594 25536 7017 1 15 . 1 1 37 37 LEU N N 37 116.695 116.695 119.072 -2.377 25536 7018 1 15 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.898 -0.376 25536 7019 1 15 . 1 1 37 37 LEU C C 37 180.263 180.263 179.403 0.860 25536 7020 1 15 . 1 1 37 37 LEU CA C 37 58.280 58.280 57.916 0.364 25536 7021 1 15 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.937 -1.799 25536 7022 1 15 . 1 1 37 37 LEU H H 37 7.595 7.595 7.415 0.180 25536 7023 1 15 . 1 1 38 38 HIS N N 38 117.829 117.829 117.444 0.385 25536 7024 1 15 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.197 0.485 25536 7025 1 15 . 1 1 38 38 HIS C C 38 180.133 180.133 178.108 2.025 25536 7026 1 15 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.500 -1.209 25536 7027 1 15 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.251 1.160 25536 7028 1 15 . 1 1 38 38 HIS H H 38 8.955 8.955 8.699 0.256 25536 7029 1 15 . 1 1 39 39 ALA N N 39 124.006 124.006 121.767 2.239 25536 7030 1 15 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.235 0.011 25536 7031 1 15 . 1 1 39 39 ALA C C 39 178.835 178.835 178.207 0.628 25536 7032 1 15 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.446 0.639 25536 7033 1 15 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.566 -0.455 25536 7034 1 15 . 1 1 39 39 ALA H H 39 7.945 7.945 8.327 -0.382 25536 7035 1 15 . 1 1 40 40 ALA N N 40 118.201 118.201 119.306 -1.105 25536 7036 1 15 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.369 0.052 25536 7037 1 15 . 1 1 40 40 ALA C C 40 176.261 176.261 178.049 -1.788 25536 7038 1 15 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.325 -0.189 25536 7039 1 15 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.008 1.104 25536 7040 1 15 . 1 1 40 40 ALA H H 40 7.665 7.665 7.368 0.297 25536 7041 1 15 . 1 1 41 41 GLY N N 41 103.920 103.920 107.653 -3.733 25536 7042 1 15 . 1 1 41 41 GLY C C 41 174.412 174.412 173.902 0.510 25536 7043 1 15 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.702 0.265 25536 7044 1 15 . 1 1 41 41 GLY H H 41 7.683 7.683 7.704 -0.021 25536 7045 1 15 . 1 1 42 42 ALA N N 42 123.582 123.582 121.819 1.763 25536 7046 1 15 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.362 0.273 25536 7047 1 15 . 1 1 42 42 ALA C C 42 175.772 175.772 176.888 -1.116 25536 7048 1 15 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.041 1.639 25536 7049 1 15 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.282 0.074 25536 7050 1 15 . 1 1 42 42 ALA H H 42 7.578 7.578 7.760 -0.182 25536 7051 1 15 . 1 1 43 43 GLN N N 43 116.996 116.996 120.509 -3.513 25536 7052 1 15 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.442 -0.093 25536 7053 1 15 . 1 1 43 43 GLN C C 43 175.528 175.528 175.556 -0.028 25536 7054 1 15 . 1 1 43 43 GLN CA C 43 54.651 54.651 54.779 -0.128 25536 7055 1 15 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.023 3.392 25536 7056 1 15 . 1 1 43 43 GLN H H 43 8.481 8.481 8.476 0.005 25536 7057 1 15 . 1 1 44 44 GLY N N 44 108.128 108.128 107.784 0.344 25536 7058 1 15 . 1 1 44 44 GLY C C 44 173.892 173.892 172.632 1.260 25536 7059 1 15 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.616 -0.918 25536 7060 1 15 . 1 1 44 44 GLY H H 44 8.510 8.510 7.545 0.965 25536 7061 1 15 . 1 1 45 45 GLU N N 45 114.113 114.113 118.615 -4.502 25536 7062 1 15 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.384 0.224 25536 7063 1 15 . 1 1 45 45 GLU C C 45 174.007 174.007 174.595 -0.588 25536 7064 1 15 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.898 0.931 25536 7065 1 15 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.369 1.682 25536 7066 1 15 . 1 1 45 45 GLU H H 45 8.245 8.245 8.251 -0.006 25536 7067 1 15 . 1 1 46 46 MET N N 46 115.322 115.322 117.553 -2.231 25536 7068 1 15 . 1 1 46 46 MET HA H 46 5.051 5.051 4.397 0.654 25536 7069 1 15 . 1 1 46 46 MET C C 46 174.637 174.637 174.438 0.199 25536 7070 1 15 . 1 1 46 46 MET CA C 46 54.264 54.264 54.080 0.184 25536 7071 1 15 . 1 1 46 46 MET CB C 46 35.854 35.854 33.811 2.043 25536 7072 1 15 . 1 1 46 46 MET H H 46 6.872 6.872 7.145 -0.273 25536 7073 1 15 . 1 1 47 47 PHE N N 47 119.008 119.008 119.325 -0.317 25536 7074 1 15 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.247 -0.153 25536 7075 1 15 . 1 1 47 47 PHE C C 47 175.742 175.742 175.186 0.556 25536 7076 1 15 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.524 1.814 25536 7077 1 15 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.380 5.532 25536 7078 1 15 . 1 1 47 47 PHE H H 47 8.623 8.623 8.898 -0.275 25536 7079 1 15 . 1 1 48 48 THR N N 48 110.544 110.544 111.453 -0.909 25536 7080 1 15 . 1 1 48 48 THR HA H 48 4.990 4.990 4.532 0.458 25536 7081 1 15 . 1 1 48 48 THR C C 48 176.666 176.666 175.872 0.794 25536 7082 1 15 . 1 1 48 48 THR CA C 48 61.095 61.095 60.680 0.415 25536 7083 1 15 . 1 1 48 48 THR CB C 48 71.136 71.136 70.856 0.280 25536 7084 1 15 . 1 1 48 48 THR H H 48 9.108 9.108 9.009 0.099 25536 7085 1 15 . 1 1 49 49 VAL N N 49 121.588 121.588 122.622 -1.034 25536 7086 1 15 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.573 -0.192 25536 7087 1 15 . 1 1 49 49 VAL C C 49 177.726 177.726 177.089 0.637 25536 7088 1 15 . 1 1 49 49 VAL CA C 49 68.241 68.241 66.735 1.506 25536 7089 1 15 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.960 -0.405 25536 7090 1 15 . 1 1 49 49 VAL H H 49 9.044 9.044 8.700 0.344 25536 7091 1 15 . 1 1 50 50 LYS N N 50 118.341 118.341 117.405 0.936 25536 7092 1 15 . 1 1 50 50 LYS HA H 50 3.959 3.959 3.966 -0.007 25536 7093 1 15 . 1 1 50 50 LYS C C 50 180.060 180.060 178.883 1.177 25536 7094 1 15 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.789 0.567 25536 7095 1 15 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.913 0.926 25536 7096 1 15 . 1 1 50 50 LYS H H 50 8.132 8.132 8.328 -0.196 25536 7097 1 15 . 1 1 51 51 GLU N N 51 119.521 119.521 119.009 0.512 25536 7098 1 15 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.900 0.146 25536 7099 1 15 . 1 1 51 51 GLU C C 51 178.583 178.583 178.580 0.003 25536 7100 1 15 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.191 0.712 25536 7101 1 15 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.883 1.573 25536 7102 1 15 . 1 1 51 51 GLU H H 51 7.877 7.877 7.539 0.338 25536 7103 1 15 . 1 1 52 52 VAL N N 52 119.044 119.044 118.024 1.020 25536 7104 1 15 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.521 -0.271 25536 7105 1 15 . 1 1 52 52 VAL C C 52 177.546 177.546 177.844 -0.298 25536 7106 1 15 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.775 2.126 25536 7107 1 15 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.060 0.317 25536 7108 1 15 . 1 1 52 52 VAL H H 52 8.245 8.245 8.438 -0.193 25536 7109 1 15 . 1 1 53 53 MET N N 53 114.669 114.669 115.809 -1.140 25536 7110 1 15 . 1 1 53 53 MET HA H 53 4.198 4.198 3.917 0.281 25536 7111 1 15 . 1 1 53 53 MET C C 53 178.699 178.699 176.983 1.716 25536 7112 1 15 . 1 1 53 53 MET CA C 53 57.748 57.748 58.486 -0.738 25536 7113 1 15 . 1 1 53 53 MET CB C 53 32.680 32.680 31.799 0.881 25536 7114 1 15 . 1 1 53 53 MET H H 53 8.188 8.188 7.934 0.254 25536 7115 1 15 . 1 1 54 54 HIS N N 54 118.909 118.909 120.474 -1.565 25536 7116 1 15 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.115 0.002 25536 7117 1 15 . 1 1 54 54 HIS C C 54 178.675 178.675 177.064 1.611 25536 7118 1 15 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.326 -0.054 25536 7119 1 15 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.611 0.986 25536 7120 1 15 . 1 1 54 54 HIS H H 54 8.091 8.091 7.271 0.820 25536 7121 1 15 . 1 1 55 55 TYR N N 55 116.769 116.769 116.888 -0.119 25536 7122 1 15 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.467 -0.615 25536 7123 1 15 . 1 1 55 55 TYR C C 55 177.794 177.794 178.092 -0.298 25536 7124 1 15 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.062 3.655 25536 7125 1 15 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.164 1.965 25536 7126 1 15 . 1 1 55 55 TYR H H 55 8.468 8.468 7.240 1.228 25536 7127 1 15 . 1 1 56 56 LEU N N 56 120.819 120.819 120.341 0.478 25536 7128 1 15 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.931 -0.122 25536 7129 1 15 . 1 1 56 56 LEU C C 56 178.484 178.484 179.158 -0.674 25536 7130 1 15 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.597 1.025 25536 7131 1 15 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.105 1.476 25536 7132 1 15 . 1 1 56 56 LEU H H 56 8.455 8.455 7.236 1.219 25536 7133 1 15 . 1 1 57 57 GLY N N 57 104.896 104.896 106.795 -1.899 25536 7134 1 15 . 1 1 57 57 GLY C C 57 175.647 175.647 175.741 -0.094 25536 7135 1 15 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.218 0.021 25536 7136 1 15 . 1 1 57 57 GLY H H 57 7.691 7.691 7.840 -0.149 25536 7137 1 15 . 1 1 58 58 GLN N N 58 119.080 119.080 121.830 -2.750 25536 7138 1 15 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.989 -0.177 25536 7139 1 15 . 1 1 58 58 GLN C C 58 177.429 177.429 177.769 -0.340 25536 7140 1 15 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.516 0.162 25536 7141 1 15 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.352 0.523 25536 7142 1 15 . 1 1 58 58 GLN H H 58 7.704 7.704 7.651 0.053 25536 7143 1 15 . 1 1 59 59 TYR N N 59 120.995 120.995 122.479 -1.484 25536 7144 1 15 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.232 -0.428 25536 7145 1 15 . 1 1 59 59 TYR C C 59 176.215 176.215 177.509 -1.294 25536 7146 1 15 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.250 0.315 25536 7147 1 15 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.779 -0.160 25536 7148 1 15 . 1 1 59 59 TYR H H 59 8.500 8.500 8.134 0.366 25536 7149 1 15 . 1 1 60 60 ILE N N 60 116.532 116.532 119.400 -2.868 25536 7150 1 15 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.654 -0.350 25536 7151 1 15 . 1 1 60 60 ILE C C 60 177.952 177.952 178.307 -0.355 25536 7152 1 15 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.955 -0.408 25536 7153 1 15 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.983 0.448 25536 7154 1 15 . 1 1 60 60 ILE H H 60 7.585 7.585 8.865 -1.280 25536 7155 1 15 . 1 1 61 61 MET N N 61 115.556 115.556 119.647 -4.091 25536 7156 1 15 . 1 1 61 61 MET HA H 61 4.547 4.547 4.358 0.189 25536 7157 1 15 . 1 1 61 61 MET C C 61 180.579 180.579 178.303 2.276 25536 7158 1 15 . 1 1 61 61 MET CA C 61 57.563 57.563 58.420 -0.857 25536 7159 1 15 . 1 1 61 61 MET CB C 61 31.473 31.473 31.901 -0.428 25536 7160 1 15 . 1 1 61 61 MET H H 61 7.707 7.707 8.160 -0.453 25536 7161 1 15 . 1 1 62 62 VAL N N 62 120.872 120.872 119.212 1.660 25536 7162 1 15 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.844 -0.016 25536 7163 1 15 . 1 1 62 62 VAL C C 62 178.786 178.786 177.544 1.242 25536 7164 1 15 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.850 1.262 25536 7165 1 15 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.021 -0.030 25536 7166 1 15 . 1 1 62 62 VAL H H 62 9.009 9.009 8.322 0.687 25536 7167 1 15 . 1 1 63 63 LYS N N 63 116.652 116.652 117.649 -0.997 25536 7168 1 15 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.139 -0.082 25536 7169 1 15 . 1 1 63 63 LYS C C 63 174.784 174.784 175.893 -1.109 25536 7170 1 15 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.679 0.404 25536 7171 1 15 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.216 -0.755 25536 7172 1 15 . 1 1 63 63 LYS H H 63 7.812 7.812 8.126 -0.314 25536 7173 1 15 . 1 1 64 64 GLN N N 64 115.445 115.445 114.226 1.219 25536 7174 1 15 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.937 -0.331 25536 7175 1 15 . 1 1 64 64 GLN C C 64 175.550 175.550 175.288 0.262 25536 7176 1 15 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.642 0.337 25536 7177 1 15 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.118 1.130 25536 7178 1 15 . 1 1 64 64 GLN H H 64 7.642 7.642 7.928 -0.286 25536 7179 1 15 . 1 1 65 65 LEU N N 65 115.724 115.724 119.260 -3.536 25536 7180 1 15 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.502 -0.045 25536 7181 1 15 . 1 1 65 65 LEU C C 65 175.979 175.979 175.595 0.384 25536 7182 1 15 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.027 0.627 25536 7183 1 15 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.365 0.585 25536 7184 1 15 . 1 1 65 65 LEU H H 65 8.097 8.097 7.684 0.413 25536 7185 1 15 . 1 1 66 66 TYR N N 66 112.953 112.953 114.674 -1.721 25536 7186 1 15 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.222 0.070 25536 7187 1 15 . 1 1 66 66 TYR C C 66 173.941 173.941 174.499 -0.558 25536 7188 1 15 . 1 1 66 66 TYR CA C 66 54.629 54.629 54.026 0.603 25536 7189 1 15 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.919 -1.171 25536 7190 1 15 . 1 1 66 66 TYR H H 66 6.856 6.856 6.716 0.140 25536 7191 1 15 . 1 1 67 67 ASP N N 67 122.196 122.196 120.749 1.447 25536 7192 1 15 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.794 -0.356 25536 7193 1 15 . 1 1 67 67 ASP C C 67 176.779 176.779 177.557 -0.778 25536 7194 1 15 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.057 0.923 25536 7195 1 15 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.888 -0.356 25536 7196 1 15 . 1 1 67 67 ASP H H 67 8.324 8.324 8.465 -0.141 25536 7197 1 15 . 1 1 68 68 GLN N N 68 123.042 123.042 122.514 0.528 25536 7198 1 15 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.181 -0.295 25536 7199 1 15 . 1 1 68 68 GLN C C 68 177.122 177.122 177.213 -0.091 25536 7200 1 15 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.684 0.347 25536 7201 1 15 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.781 0.306 25536 7202 1 15 . 1 1 68 68 GLN H H 68 8.563 8.563 8.688 -0.125 25536 7203 1 15 . 1 1 69 69 GLN N N 69 115.263 115.263 117.884 -2.621 25536 7204 1 15 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.222 0.135 25536 7205 1 15 . 1 1 69 69 GLN C C 69 176.272 176.272 176.060 0.212 25536 7206 1 15 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.200 -0.071 25536 7207 1 15 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.744 0.380 25536 7208 1 15 . 1 1 69 69 GLN H H 69 8.356 8.356 7.843 0.513 25536 7209 1 15 . 1 1 70 70 GLU N N 70 122.549 122.549 117.938 4.611 25536 7210 1 15 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.458 0.061 25536 7211 1 15 . 1 1 70 70 GLU C C 70 175.953 175.953 175.954 -0.001 25536 7212 1 15 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.378 -0.421 25536 7213 1 15 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.877 -0.317 25536 7214 1 15 . 1 1 70 70 GLU H H 70 8.227 8.227 8.258 -0.031 25536 7215 1 15 . 1 1 71 71 GLN N N 71 118.815 118.815 122.796 -3.981 25536 7216 1 15 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.067 0.485 25536 7217 1 15 . 1 1 71 71 GLN C C 71 174.842 174.842 176.512 -1.670 25536 7218 1 15 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.385 1.312 25536 7219 1 15 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.591 -0.661 25536 7220 1 15 . 1 1 71 71 GLN H H 71 8.253 8.253 8.803 -0.550 25536 7221 1 15 . 1 1 72 72 HIS N N 72 111.141 111.141 111.229 -0.088 25536 7222 1 15 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.447 -0.274 25536 7223 1 15 . 1 1 72 72 HIS C C 72 173.749 173.749 174.399 -0.650 25536 7224 1 15 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.039 1.220 25536 7225 1 15 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.272 1.800 25536 7226 1 15 . 1 1 72 72 HIS H H 72 7.412 7.412 7.703 -0.291 25536 7227 1 15 . 1 1 73 73 MET N N 73 119.350 119.350 121.119 -1.769 25536 7228 1 15 . 1 1 73 73 MET HA H 73 4.584 4.584 4.513 0.071 25536 7229 1 15 . 1 1 73 73 MET C C 73 174.311 174.311 173.905 0.406 25536 7230 1 15 . 1 1 73 73 MET CA C 73 53.186 53.186 54.134 -0.948 25536 7231 1 15 . 1 1 73 73 MET CB C 73 31.731 31.731 33.927 -2.196 25536 7232 1 15 . 1 1 73 73 MET H H 73 7.766 7.766 7.376 0.390 25536 7233 1 15 . 1 1 74 74 VAL N N 74 122.542 122.542 126.341 -3.799 25536 7234 1 15 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.426 -0.478 25536 7235 1 15 . 1 1 74 74 VAL C C 74 174.756 174.756 174.135 0.621 25536 7236 1 15 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.847 0.775 25536 7237 1 15 . 1 1 74 74 VAL CB C 74 32.814 32.814 33.234 -0.420 25536 7238 1 15 . 1 1 74 74 VAL H H 74 8.456 8.456 8.588 -0.132 25536 7239 1 15 . 1 1 75 75 TYR N N 75 125.680 125.680 125.298 0.382 25536 7240 1 15 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.191 -0.432 25536 7241 1 15 . 1 1 75 75 TYR C C 75 174.923 174.923 175.182 -0.259 25536 7242 1 15 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.181 0.631 25536 7243 1 15 . 1 1 75 75 TYR CB C 75 38.849 38.849 39.192 -0.343 25536 7244 1 15 . 1 1 75 75 TYR H H 75 8.213 8.213 9.101 -0.888 25536 7245 1 15 . 1 1 76 76 CYS N N 76 116.702 116.702 120.772 -4.070 25536 7246 1 15 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.633 0.106 25536 7247 1 15 . 1 1 76 76 CYS C C 76 174.231 174.231 175.435 -1.204 25536 7248 1 15 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.604 -2.501 25536 7249 1 15 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.732 1.965 25536 7250 1 15 . 1 1 76 76 CYS H H 76 8.307 8.307 8.738 -0.431 25536 7251 1 15 . 1 1 77 77 GLY N N 77 111.569 111.569 109.315 2.254 25536 7252 1 15 . 1 1 77 77 GLY C C 77 174.662 174.662 174.965 -0.303 25536 7253 1 15 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.688 0.461 25536 7254 1 15 . 1 1 77 77 GLY H H 77 8.484 8.484 7.781 0.703 25536 7255 1 15 . 1 1 78 78 GLY N N 78 113.022 113.022 112.967 0.055 25536 7256 1 15 . 1 1 78 78 GLY C C 78 172.811 172.811 174.323 -1.512 25536 7257 1 15 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.858 0.902 25536 7258 1 15 . 1 1 78 78 GLY H H 78 8.889 8.889 8.622 0.267 25536 7259 1 15 . 1 1 79 79 ASP N N 79 119.431 119.431 120.220 -0.789 25536 7260 1 15 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.815 0.073 25536 7261 1 15 . 1 1 79 79 ASP C C 79 176.302 176.302 176.156 0.146 25536 7262 1 15 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.374 -0.281 25536 7263 1 15 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.865 4.399 25536 7264 1 15 . 1 1 79 79 ASP H H 79 7.789 7.789 7.817 -0.028 25536 7265 1 15 . 1 1 80 80 LEU N N 80 128.421 128.421 124.023 4.398 25536 7266 1 15 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.122 -0.058 25536 7267 1 15 . 1 1 80 80 LEU C C 80 179.059 179.059 178.759 0.300 25536 7268 1 15 . 1 1 80 80 LEU CA C 80 58.803 58.803 58.266 0.537 25536 7269 1 15 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.297 0.106 25536 7270 1 15 . 1 1 80 80 LEU H H 80 8.549 8.549 9.028 -0.479 25536 7271 1 15 . 1 1 81 81 LEU N N 81 118.633 118.633 119.969 -1.336 25536 7272 1 15 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.952 -0.085 25536 7273 1 15 . 1 1 81 81 LEU C C 81 178.542 178.542 178.341 0.201 25536 7274 1 15 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.953 0.818 25536 7275 1 15 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.232 1.417 25536 7276 1 15 . 1 1 81 81 LEU H H 81 9.973 9.973 8.848 1.125 25536 7277 1 15 . 1 1 82 82 GLY N N 82 105.564 105.564 106.274 -0.710 25536 7278 1 15 . 1 1 82 82 GLY C C 82 176.907 176.907 175.686 1.221 25536 7279 1 15 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.283 0.780 25536 7280 1 15 . 1 1 82 82 GLY H H 82 7.559 7.559 8.504 -0.945 25536 7281 1 15 . 1 1 83 83 GLU N N 83 121.706 121.706 122.473 -0.767 25536 7282 1 15 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.104 -0.122 25536 7283 1 15 . 1 1 83 83 GLU C C 83 179.215 179.215 178.372 0.843 25536 7284 1 15 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.787 0.374 25536 7285 1 15 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.517 -0.024 25536 7286 1 15 . 1 1 83 83 GLU H H 83 7.536 7.536 8.025 -0.489 25536 7287 1 15 . 1 1 84 84 LEU N N 84 118.455 118.455 120.703 -2.248 25536 7288 1 15 . 1 1 84 84 LEU HA H 84 4.024 4.024 3.995 0.029 25536 7289 1 15 . 1 1 84 84 LEU C C 84 178.842 178.842 178.215 0.627 25536 7290 1 15 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.343 0.132 25536 7291 1 15 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.094 0.393 25536 7292 1 15 . 1 1 84 84 LEU H H 84 7.701 7.701 7.838 -0.137 25536 7293 1 15 . 1 1 85 85 LEU N N 85 115.271 115.271 116.584 -1.313 25536 7294 1 15 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.866 -0.090 25536 7295 1 15 . 1 1 85 85 LEU C C 85 177.773 177.773 178.303 -0.530 25536 7296 1 15 . 1 1 85 85 LEU CA C 85 56.375 56.375 57.008 -0.633 25536 7297 1 15 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.495 1.398 25536 7298 1 15 . 1 1 85 85 LEU H H 85 8.117 8.117 8.169 -0.052 25536 7299 1 15 . 1 1 86 86 GLY N N 86 107.216 107.216 104.058 3.158 25536 7300 1 15 . 1 1 86 86 GLY C C 86 174.090 174.090 173.900 0.190 25536 7301 1 15 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.442 0.873 25536 7302 1 15 . 1 1 86 86 GLY H H 86 7.983 7.983 8.247 -0.264 25536 7303 1 15 . 1 1 87 87 ARG N N 87 113.296 113.296 118.198 -4.902 25536 7304 1 15 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.711 -0.057 25536 7305 1 15 . 1 1 87 87 ARG C C 87 174.720 174.720 175.373 -0.653 25536 7306 1 15 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.703 0.576 25536 7307 1 15 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.557 2.838 25536 7308 1 15 . 1 1 87 87 ARG H H 87 7.411 7.411 7.680 -0.269 25536 7309 1 15 . 1 1 88 88 GLN N N 88 115.575 115.575 120.828 -5.253 25536 7310 1 15 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.296 -0.243 25536 7311 1 15 . 1 1 88 88 GLN C C 88 175.946 175.946 175.273 0.673 25536 7312 1 15 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.551 -0.139 25536 7313 1 15 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.046 0.745 25536 7314 1 15 . 1 1 88 88 GLN H H 88 8.653 8.653 8.829 -0.176 25536 7315 1 15 . 1 1 89 89 SER N N 89 110.451 110.451 112.699 -2.248 25536 7316 1 15 . 1 1 89 89 SER HA H 89 5.428 5.428 5.069 0.359 25536 7317 1 15 . 1 1 89 89 SER C C 89 173.062 173.062 173.037 0.025 25536 7318 1 15 . 1 1 89 89 SER CA C 89 57.011 57.011 57.000 0.011 25536 7319 1 15 . 1 1 89 89 SER CB C 89 66.560 66.560 65.557 1.003 25536 7320 1 15 . 1 1 89 89 SER H H 89 7.625 7.625 7.574 0.051 25536 7321 1 15 . 1 1 90 90 PHE N N 90 115.159 115.159 115.466 -0.307 25536 7322 1 15 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.937 -0.252 25536 7323 1 15 . 1 1 90 90 PHE C C 90 170.337 170.337 172.552 -2.215 25536 7324 1 15 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.066 0.132 25536 7325 1 15 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.054 0.358 25536 7326 1 15 . 1 1 90 90 PHE H H 90 8.549 8.549 7.735 0.814 25536 7327 1 15 . 1 1 91 91 SER N N 91 113.637 113.637 113.865 -0.228 25536 7328 1 15 . 1 1 91 91 SER HA H 91 5.350 5.350 5.007 0.343 25536 7329 1 15 . 1 1 91 91 SER C C 91 178.100 178.100 174.970 3.130 25536 7330 1 15 . 1 1 91 91 SER CA C 91 54.748 54.748 56.127 -1.379 25536 7331 1 15 . 1 1 91 91 SER CB C 91 65.325 65.325 67.112 -1.788 25536 7332 1 15 . 1 1 91 91 SER H H 91 9.010 9.010 8.251 0.759 25536 7333 1 15 . 1 1 92 92 VAL N N 92 120.560 120.560 120.372 0.188 25536 7334 1 15 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.844 0.064 25536 7335 1 15 . 1 1 92 92 VAL C C 92 175.704 175.704 177.259 -1.555 25536 7336 1 15 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.736 -1.736 25536 7337 1 15 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.959 -1.159 25536 7338 1 15 . 1 1 92 92 VAL H H 92 8.948 8.948 9.023 -0.075 25536 7339 1 15 . 1 1 93 93 LYS N N 93 116.481 116.481 118.118 -1.637 25536 7340 1 15 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.320 -0.373 25536 7341 1 15 . 1 1 93 93 LYS C C 93 177.088 177.088 176.270 0.818 25536 7342 1 15 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.882 0.817 25536 7343 1 15 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.428 -1.170 25536 7344 1 15 . 1 1 93 93 LYS H H 93 8.086 8.086 7.669 0.417 25536 7345 1 15 . 1 1 94 94 ASP N N 94 114.885 114.885 119.717 -4.832 25536 7346 1 15 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.111 -0.169 25536 7347 1 15 . 1 1 94 94 ASP C C 94 173.021 173.021 175.232 -2.211 25536 7348 1 15 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.027 0.562 25536 7349 1 15 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.718 -0.273 25536 7350 1 15 . 1 1 94 94 ASP H H 94 7.399 7.399 7.883 -0.484 25536 7351 1 15 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.770 -0.352 25536 7352 1 15 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.567 0.080 25536 7353 1 15 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.850 -0.090 25536 7354 1 15 . 1 1 96 96 SER N N 96 118.790 118.790 116.904 1.886 25536 7355 1 15 . 1 1 96 96 SER HA H 96 4.219 4.219 4.168 0.051 25536 7356 1 15 . 1 1 96 96 SER C C 96 173.615 173.615 173.954 -0.339 25536 7357 1 15 . 1 1 96 96 SER CA C 96 64.525 64.525 63.690 0.835 25536 7358 1 15 . 1 1 96 96 SER CB C 96 61.994 61.994 61.077 0.917 25536 7359 1 15 . 1 1 96 96 SER H H 96 8.052 8.052 8.608 -0.556 25536 7360 1 15 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.307 0.040 25536 7361 1 15 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.073 0.942 25536 7362 1 15 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.316 0.296 25536 7363 1 15 . 1 1 98 98 LEU N N 98 117.938 117.938 120.126 -2.188 25536 7364 1 15 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.842 -0.246 25536 7365 1 15 . 1 1 98 98 LEU C C 98 178.196 178.196 179.003 -0.807 25536 7366 1 15 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.801 -0.517 25536 7367 1 15 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.184 0.224 25536 7368 1 15 . 1 1 98 98 LEU H H 98 7.076 7.076 7.916 -0.840 25536 7369 1 15 . 1 1 99 99 TYR N N 99 117.957 117.957 117.170 0.787 25536 7370 1 15 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.084 0.066 25536 7371 1 15 . 1 1 99 99 TYR C C 99 178.767 178.767 178.198 0.569 25536 7372 1 15 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.539 -0.316 25536 7373 1 15 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.564 -0.526 25536 7374 1 15 . 1 1 99 99 TYR H H 99 7.547 7.547 7.707 -0.160 25536 7375 1 15 . 1 1 100 100 ASP N N 100 119.536 119.536 120.332 -0.796 25536 7376 1 15 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.395 -0.069 25536 7377 1 15 . 1 1 100 100 ASP C C 100 177.737 177.737 178.180 -0.443 25536 7378 1 15 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.082 0.793 25536 7379 1 15 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.945 0.196 25536 7380 1 15 . 1 1 100 100 ASP H H 100 8.292 8.292 8.110 0.182 25536 7381 1 15 . 1 1 101 101 MET N N 101 118.757 118.757 117.313 1.444 25536 7382 1 15 . 1 1 101 101 MET HA H 101 3.964 3.964 4.289 -0.325 25536 7383 1 15 . 1 1 101 101 MET C C 101 180.006 180.006 176.813 3.193 25536 7384 1 15 . 1 1 101 101 MET CA C 101 59.710 59.710 58.271 1.439 25536 7385 1 15 . 1 1 101 101 MET CB C 101 31.642 31.642 32.816 -1.174 25536 7386 1 15 . 1 1 101 101 MET H H 101 7.226 7.226 7.627 -0.401 25536 7387 1 15 . 1 1 102 102 LEU N N 102 121.624 121.624 118.706 2.918 25536 7388 1 15 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.252 -0.556 25536 7389 1 15 . 1 1 102 102 LEU C C 102 178.566 178.566 178.878 -0.312 25536 7390 1 15 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.646 2.281 25536 7391 1 15 . 1 1 102 102 LEU CB C 102 41.485 41.485 42.200 -0.715 25536 7392 1 15 . 1 1 102 102 LEU H H 102 8.472 8.472 7.834 0.638 25536 7393 1 15 . 1 1 103 103 ARG N N 103 117.111 117.111 118.303 -1.192 25536 7394 1 15 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.070 -0.100 25536 7395 1 15 . 1 1 103 103 ARG C C 103 178.818 178.818 177.453 1.365 25536 7396 1 15 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.930 0.573 25536 7397 1 15 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.060 0.235 25536 7398 1 15 . 1 1 103 103 ARG H H 103 7.932 7.932 8.406 -0.474 25536 7399 1 15 . 1 1 104 104 LYS N N 104 114.172 114.172 116.093 -1.921 25536 7400 1 15 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.429 -0.207 25536 7401 1 15 . 1 1 104 104 LYS C C 104 177.556 177.556 177.202 0.354 25536 7402 1 15 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.867 1.093 25536 7403 1 15 . 1 1 104 104 LYS CB C 104 34.227 34.227 31.967 2.260 25536 7404 1 15 . 1 1 104 104 LYS H H 104 7.157 7.157 8.049 -0.892 25536 7405 1 15 . 1 1 105 105 ASN N N 105 114.145 114.145 116.646 -2.501 25536 7406 1 15 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.800 -0.069 25536 7407 1 15 . 1 1 105 105 ASN C C 105 172.822 172.822 174.409 -1.587 25536 7408 1 15 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.039 0.804 25536 7409 1 15 . 1 1 105 105 ASN CB C 105 42.645 42.645 41.096 1.549 25536 7410 1 15 . 1 1 105 105 ASN H H 105 7.665 7.665 7.951 -0.286 25536 7411 1 15 . 1 1 106 106 LEU N N 106 118.600 118.600 122.416 -3.816 25536 7412 1 15 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.507 0.164 25536 7413 1 15 . 1 1 106 106 LEU C C 106 175.658 175.658 175.694 -0.036 25536 7414 1 15 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.154 0.004 25536 7415 1 15 . 1 1 106 106 LEU CB C 106 43.565 43.565 42.744 0.821 25536 7416 1 15 . 1 1 106 106 LEU H H 106 7.439 7.439 8.009 -0.570 25536 7417 1 15 . 1 1 107 107 VAL N N 107 122.739 122.739 126.080 -3.341 25536 7418 1 15 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.290 -0.082 25536 7419 1 15 . 1 1 107 107 VAL C C 107 176.054 176.054 175.088 0.966 25536 7420 1 15 . 1 1 107 107 VAL CA C 107 62.216 62.216 62.032 0.183 25536 7421 1 15 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.737 0.843 25536 7422 1 15 . 1 1 107 107 VAL H H 107 8.182 8.182 8.325 -0.143 25536 7423 1 15 . 1 1 108 108 THR N N 108 120.854 120.854 119.143 1.711 25536 7424 1 15 . 1 1 108 108 THR HA H 108 4.336 4.336 4.593 -0.257 25536 7425 1 15 . 1 1 108 108 THR C C 108 174.216 174.216 174.358 -0.142 25536 7426 1 15 . 1 1 108 108 THR CA C 108 62.726 62.726 59.853 2.873 25536 7427 1 15 . 1 1 108 108 THR CB C 108 70.080 70.080 70.926 -0.846 25536 7428 1 15 . 1 1 108 108 THR H H 108 8.524 8.524 8.190 0.334 25536 7429 1 15 . 1 1 109 109 LEU N N 109 125.529 125.529 122.023 3.506 25536 7430 1 15 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.346 0.006 25536 7431 1 15 . 1 1 109 109 LEU C C 109 176.523 176.523 177.137 -0.614 25536 7432 1 15 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.262 -0.215 25536 7433 1 15 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.186 0.404 25536 7434 1 15 . 1 1 109 109 LEU H H 109 8.313 8.313 8.270 0.043 25536 7435 1 15 . 1 1 110 110 ALA N N 110 125.099 125.099 122.466 2.633 25536 7436 1 15 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.289 0.077 25536 7437 1 15 . 1 1 110 110 ALA C C 110 176.847 176.847 176.684 0.163 25536 7438 1 15 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.674 -0.046 25536 7439 1 15 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.512 0.194 25536 7440 1 15 . 1 1 110 110 ALA H H 110 8.257 8.257 7.674 0.583 25536 7441 1 16 . 1 1 24 24 ILE N N 24 120.668 120.668 121.632 -0.964 25536 7442 1 16 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.072 0.075 25536 7443 1 16 . 1 1 24 24 ILE C C 24 175.650 175.650 176.632 -0.982 25536 7444 1 16 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.786 -0.444 25536 7445 1 16 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.833 0.234 25536 7446 1 16 . 1 1 24 24 ILE H H 24 8.119 8.119 8.888 -0.769 25536 7447 1 16 . 1 1 25 25 ASN N N 25 122.032 122.032 116.428 5.604 25536 7448 1 16 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.379 0.325 25536 7449 1 16 . 1 1 25 25 ASN C C 25 174.775 174.775 173.888 0.887 25536 7450 1 16 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.858 -0.128 25536 7451 1 16 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.166 2.240 25536 7452 1 16 . 1 1 25 25 ASN H H 25 8.446 8.446 8.547 -0.101 25536 7453 1 16 . 1 1 26 26 GLN N N 26 118.655 118.655 117.463 1.192 25536 7454 1 16 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.584 0.003 25536 7455 1 16 . 1 1 26 26 GLN C C 26 175.291 175.291 174.252 1.039 25536 7456 1 16 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.637 1.065 25536 7457 1 16 . 1 1 26 26 GLN CB C 26 32.258 32.258 31.756 0.502 25536 7458 1 16 . 1 1 26 26 GLN H H 26 8.215 8.215 7.788 0.427 25536 7459 1 16 . 1 1 27 27 VAL N N 27 113.749 113.749 117.242 -3.493 25536 7460 1 16 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.434 0.433 25536 7461 1 16 . 1 1 27 27 VAL C C 27 173.900 173.900 174.596 -0.696 25536 7462 1 16 . 1 1 27 27 VAL CA C 27 59.116 59.116 59.378 -0.262 25536 7463 1 16 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.348 1.756 25536 7464 1 16 . 1 1 27 27 VAL H H 27 9.417 9.417 8.375 1.042 25536 7465 1 16 . 1 1 28 28 ARG N N 28 121.515 121.515 123.140 -1.625 25536 7466 1 16 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.210 0.247 25536 7467 1 16 . 1 1 28 28 ARG C C 28 175.090 175.090 175.205 -0.115 25536 7468 1 16 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.542 -0.971 25536 7469 1 16 . 1 1 28 28 ARG CB C 28 33.674 33.674 31.364 2.310 25536 7470 1 16 . 1 1 28 28 ARG H H 28 8.901 8.901 8.435 0.466 25536 7471 1 16 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.531 0.464 25536 7472 1 16 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.432 -0.380 25536 7473 1 16 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.299 -0.038 25536 7474 1 16 . 1 1 30 30 LYS N N 30 121.291 121.291 119.160 2.131 25536 7475 1 16 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.144 0.057 25536 7476 1 16 . 1 1 30 30 LYS C C 30 177.557 177.557 178.341 -0.784 25536 7477 1 16 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.614 1.108 25536 7478 1 16 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.486 0.509 25536 7479 1 16 . 1 1 30 30 LYS H H 30 8.476 8.476 8.325 0.151 25536 7480 1 16 . 1 1 31 31 LEU N N 31 121.578 121.578 124.419 -2.841 25536 7481 1 16 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.149 -0.094 25536 7482 1 16 . 1 1 31 31 LEU C C 31 174.261 174.261 175.825 -1.564 25536 7483 1 16 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.609 0.587 25536 7484 1 16 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.680 0.170 25536 7485 1 16 . 1 1 31 31 LEU H H 31 8.584 8.584 8.940 -0.356 25536 7486 1 16 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.255 -0.122 25536 7487 1 16 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.737 0.841 25536 7488 1 16 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.007 0.470 25536 7489 1 16 . 1 1 33 33 LEU N N 33 113.190 113.190 119.477 -6.287 25536 7490 1 16 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.008 -0.033 25536 7491 1 16 . 1 1 33 33 LEU C C 33 177.726 177.726 179.079 -1.353 25536 7492 1 16 . 1 1 33 33 LEU CA C 33 56.140 56.140 58.256 -2.116 25536 7493 1 16 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.372 0.475 25536 7494 1 16 . 1 1 33 33 LEU H H 33 6.605 6.605 7.475 -0.870 25536 7495 1 16 . 1 1 34 34 LEU N N 34 121.683 121.683 120.007 1.676 25536 7496 1 16 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.866 -0.484 25536 7497 1 16 . 1 1 34 34 LEU C C 34 177.321 177.321 178.163 -0.842 25536 7498 1 16 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.809 0.428 25536 7499 1 16 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.415 0.496 25536 7500 1 16 . 1 1 34 34 LEU H H 34 8.399 8.399 8.517 -0.118 25536 7501 1 16 . 1 1 35 35 LYS N N 35 114.524 114.524 119.561 -5.037 25536 7502 1 16 . 1 1 35 35 LYS HA H 35 3.793 3.793 3.991 -0.198 25536 7503 1 16 . 1 1 35 35 LYS C C 35 180.207 180.207 178.878 1.329 25536 7504 1 16 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.565 0.506 25536 7505 1 16 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.947 0.522 25536 7506 1 16 . 1 1 35 35 LYS H H 35 7.940 7.940 8.010 -0.070 25536 7507 1 16 . 1 1 36 36 ILE N N 36 119.857 119.857 120.000 -0.143 25536 7508 1 16 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.472 -0.168 25536 7509 1 16 . 1 1 36 36 ILE C C 36 176.418 176.418 177.719 -1.301 25536 7510 1 16 . 1 1 36 36 ILE CA C 36 64.480 64.480 65.302 -0.822 25536 7511 1 16 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.614 -0.010 25536 7512 1 16 . 1 1 36 36 ILE H H 36 6.742 6.742 7.319 -0.577 25536 7513 1 16 . 1 1 37 37 LEU N N 37 116.695 116.695 119.359 -2.664 25536 7514 1 16 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.884 -0.362 25536 7515 1 16 . 1 1 37 37 LEU C C 37 180.263 180.263 179.359 0.904 25536 7516 1 16 . 1 1 37 37 LEU CA C 37 58.280 58.280 57.784 0.496 25536 7517 1 16 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.706 -1.568 25536 7518 1 16 . 1 1 37 37 LEU H H 37 7.595 7.595 7.452 0.143 25536 7519 1 16 . 1 1 38 38 HIS N N 38 117.829 117.829 117.546 0.283 25536 7520 1 16 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.187 0.495 25536 7521 1 16 . 1 1 38 38 HIS C C 38 180.133 180.133 178.111 2.022 25536 7522 1 16 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.520 -1.229 25536 7523 1 16 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.275 1.136 25536 7524 1 16 . 1 1 38 38 HIS H H 38 8.955 8.955 8.687 0.268 25536 7525 1 16 . 1 1 39 39 ALA N N 39 124.006 124.006 121.700 2.306 25536 7526 1 16 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.244 0.002 25536 7527 1 16 . 1 1 39 39 ALA C C 39 178.835 178.835 178.476 0.359 25536 7528 1 16 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.405 0.680 25536 7529 1 16 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.433 -0.322 25536 7530 1 16 . 1 1 39 39 ALA H H 39 7.945 7.945 8.279 -0.334 25536 7531 1 16 . 1 1 40 40 ALA N N 40 118.201 118.201 119.489 -1.288 25536 7532 1 16 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.369 0.052 25536 7533 1 16 . 1 1 40 40 ALA C C 40 176.261 176.261 177.515 -1.254 25536 7534 1 16 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.477 -0.341 25536 7535 1 16 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.261 0.851 25536 7536 1 16 . 1 1 40 40 ALA H H 40 7.665 7.665 7.586 0.079 25536 7537 1 16 . 1 1 41 41 GLY N N 41 103.920 103.920 107.278 -3.358 25536 7538 1 16 . 1 1 41 41 GLY C C 41 174.412 174.412 173.810 0.602 25536 7539 1 16 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.612 0.355 25536 7540 1 16 . 1 1 41 41 GLY H H 41 7.683 7.683 7.648 0.035 25536 7541 1 16 . 1 1 42 42 ALA N N 42 123.582 123.582 121.161 2.421 25536 7542 1 16 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.516 0.119 25536 7543 1 16 . 1 1 42 42 ALA C C 42 175.772 175.772 177.143 -1.371 25536 7544 1 16 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.131 1.549 25536 7545 1 16 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.439 -0.083 25536 7546 1 16 . 1 1 42 42 ALA H H 42 7.578 7.578 7.756 -0.178 25536 7547 1 16 . 1 1 43 43 GLN N N 43 116.996 116.996 122.014 -5.018 25536 7548 1 16 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.512 -0.163 25536 7549 1 16 . 1 1 43 43 GLN C C 43 175.528 175.528 175.495 0.033 25536 7550 1 16 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.205 -0.554 25536 7551 1 16 . 1 1 43 43 GLN CB C 43 32.414 32.414 28.960 3.454 25536 7552 1 16 . 1 1 43 43 GLN H H 43 8.481 8.481 8.517 -0.036 25536 7553 1 16 . 1 1 44 44 GLY N N 44 108.128 108.128 106.677 1.451 25536 7554 1 16 . 1 1 44 44 GLY C C 44 173.892 173.892 172.572 1.320 25536 7555 1 16 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.301 -0.603 25536 7556 1 16 . 1 1 44 44 GLY H H 44 8.510 8.510 7.860 0.650 25536 7557 1 16 . 1 1 45 45 GLU N N 45 114.113 114.113 118.948 -4.835 25536 7558 1 16 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.409 0.199 25536 7559 1 16 . 1 1 45 45 GLU C C 45 174.007 174.007 174.776 -0.769 25536 7560 1 16 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.965 0.863 25536 7561 1 16 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.270 1.782 25536 7562 1 16 . 1 1 45 45 GLU H H 45 8.245 8.245 8.238 0.007 25536 7563 1 16 . 1 1 46 46 MET N N 46 115.322 115.322 116.817 -1.495 25536 7564 1 16 . 1 1 46 46 MET HA H 46 5.051 5.051 4.544 0.507 25536 7565 1 16 . 1 1 46 46 MET C C 46 174.637 174.637 174.594 0.043 25536 7566 1 16 . 1 1 46 46 MET CA C 46 54.264 54.264 54.303 -0.039 25536 7567 1 16 . 1 1 46 46 MET CB C 46 35.854 35.854 33.543 2.311 25536 7568 1 16 . 1 1 46 46 MET H H 46 6.872 6.872 7.018 -0.146 25536 7569 1 16 . 1 1 47 47 PHE N N 47 119.008 119.008 119.679 -0.671 25536 7570 1 16 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.183 -0.089 25536 7571 1 16 . 1 1 47 47 PHE C C 47 175.742 175.742 175.455 0.287 25536 7572 1 16 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.672 1.666 25536 7573 1 16 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.324 5.588 25536 7574 1 16 . 1 1 47 47 PHE H H 47 8.623 8.623 8.900 -0.277 25536 7575 1 16 . 1 1 48 48 THR N N 48 110.544 110.544 112.280 -1.736 25536 7576 1 16 . 1 1 48 48 THR HA H 48 4.990 4.990 4.586 0.404 25536 7577 1 16 . 1 1 48 48 THR C C 48 176.666 176.666 176.315 0.351 25536 7578 1 16 . 1 1 48 48 THR CA C 48 61.095 61.095 60.204 0.891 25536 7579 1 16 . 1 1 48 48 THR CB C 48 71.136 71.136 70.612 0.524 25536 7580 1 16 . 1 1 48 48 THR H H 48 9.108 9.108 9.314 -0.206 25536 7581 1 16 . 1 1 49 49 VAL N N 49 121.588 121.588 121.923 -0.335 25536 7582 1 16 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.680 -0.299 25536 7583 1 16 . 1 1 49 49 VAL C C 49 177.726 177.726 177.140 0.586 25536 7584 1 16 . 1 1 49 49 VAL CA C 49 68.241 68.241 66.996 1.245 25536 7585 1 16 . 1 1 49 49 VAL CB C 49 31.555 31.555 32.231 -0.676 25536 7586 1 16 . 1 1 49 49 VAL H H 49 9.044 9.044 8.931 0.113 25536 7587 1 16 . 1 1 50 50 LYS N N 50 118.341 118.341 116.316 2.025 25536 7588 1 16 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.097 -0.138 25536 7589 1 16 . 1 1 50 50 LYS C C 50 180.060 180.060 178.671 1.389 25536 7590 1 16 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.006 1.350 25536 7591 1 16 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.811 1.028 25536 7592 1 16 . 1 1 50 50 LYS H H 50 8.132 8.132 8.530 -0.398 25536 7593 1 16 . 1 1 51 51 GLU N N 51 119.521 119.521 120.460 -0.939 25536 7594 1 16 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.924 0.122 25536 7595 1 16 . 1 1 51 51 GLU C C 51 178.583 178.583 178.443 0.140 25536 7596 1 16 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.038 0.865 25536 7597 1 16 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.071 1.385 25536 7598 1 16 . 1 1 51 51 GLU H H 51 7.877 7.877 7.452 0.425 25536 7599 1 16 . 1 1 52 52 VAL N N 52 119.044 119.044 117.731 1.313 25536 7600 1 16 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.535 -0.285 25536 7601 1 16 . 1 1 52 52 VAL C C 52 177.546 177.546 178.010 -0.464 25536 7602 1 16 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.976 1.925 25536 7603 1 16 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.666 -0.289 25536 7604 1 16 . 1 1 52 52 VAL H H 52 8.245 8.245 8.487 -0.242 25536 7605 1 16 . 1 1 53 53 MET N N 53 114.669 114.669 116.331 -1.662 25536 7606 1 16 . 1 1 53 53 MET HA H 53 4.198 4.198 3.992 0.206 25536 7607 1 16 . 1 1 53 53 MET C C 53 178.699 178.699 176.991 1.708 25536 7608 1 16 . 1 1 53 53 MET CA C 53 57.748 57.748 58.371 -0.623 25536 7609 1 16 . 1 1 53 53 MET CB C 53 32.680 32.680 32.079 0.601 25536 7610 1 16 . 1 1 53 53 MET H H 53 8.188 8.188 8.090 0.098 25536 7611 1 16 . 1 1 54 54 HIS N N 54 118.909 118.909 120.874 -1.965 25536 7612 1 16 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.145 -0.028 25536 7613 1 16 . 1 1 54 54 HIS C C 54 178.675 178.675 177.069 1.606 25536 7614 1 16 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.487 -0.215 25536 7615 1 16 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.696 0.901 25536 7616 1 16 . 1 1 54 54 HIS H H 54 8.091 8.091 7.298 0.793 25536 7617 1 16 . 1 1 55 55 TYR N N 55 116.769 116.769 117.570 -0.801 25536 7618 1 16 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.188 -0.336 25536 7619 1 16 . 1 1 55 55 TYR C C 55 177.794 177.794 178.045 -0.251 25536 7620 1 16 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.999 2.718 25536 7621 1 16 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.160 1.969 25536 7622 1 16 . 1 1 55 55 TYR H H 55 8.468 8.468 7.616 0.852 25536 7623 1 16 . 1 1 56 56 LEU N N 56 120.819 120.819 120.621 0.198 25536 7624 1 16 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.891 -0.082 25536 7625 1 16 . 1 1 56 56 LEU C C 56 178.484 178.484 179.140 -0.656 25536 7626 1 16 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.802 0.820 25536 7627 1 16 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.090 1.491 25536 7628 1 16 . 1 1 56 56 LEU H H 56 8.455 8.455 7.414 1.041 25536 7629 1 16 . 1 1 57 57 GLY N N 57 104.896 104.896 106.806 -1.910 25536 7630 1 16 . 1 1 57 57 GLY C C 57 175.647 175.647 175.730 -0.083 25536 7631 1 16 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.224 0.015 25536 7632 1 16 . 1 1 57 57 GLY H H 57 7.691 7.691 8.062 -0.371 25536 7633 1 16 . 1 1 58 58 GLN N N 58 119.080 119.080 121.886 -2.806 25536 7634 1 16 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.964 -0.152 25536 7635 1 16 . 1 1 58 58 GLN C C 58 177.429 177.429 177.753 -0.324 25536 7636 1 16 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.492 0.186 25536 7637 1 16 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.384 0.491 25536 7638 1 16 . 1 1 58 58 GLN H H 58 7.704 7.704 8.054 -0.350 25536 7639 1 16 . 1 1 59 59 TYR N N 59 120.995 120.995 122.279 -1.284 25536 7640 1 16 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.218 -0.414 25536 7641 1 16 . 1 1 59 59 TYR C C 59 176.215 176.215 177.486 -1.271 25536 7642 1 16 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.193 0.372 25536 7643 1 16 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.754 -0.135 25536 7644 1 16 . 1 1 59 59 TYR H H 59 8.500 8.500 8.144 0.356 25536 7645 1 16 . 1 1 60 60 ILE N N 60 116.532 116.532 119.677 -3.145 25536 7646 1 16 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.631 -0.328 25536 7647 1 16 . 1 1 60 60 ILE C C 60 177.952 177.952 178.148 -0.196 25536 7648 1 16 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.808 -0.261 25536 7649 1 16 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.046 0.385 25536 7650 1 16 . 1 1 60 60 ILE H H 60 7.585 7.585 8.776 -1.191 25536 7651 1 16 . 1 1 61 61 MET N N 61 115.556 115.556 118.916 -3.360 25536 7652 1 16 . 1 1 61 61 MET HA H 61 4.547 4.547 4.260 0.287 25536 7653 1 16 . 1 1 61 61 MET C C 61 180.579 180.579 178.174 2.405 25536 7654 1 16 . 1 1 61 61 MET CA C 61 57.563 57.563 58.347 -0.784 25536 7655 1 16 . 1 1 61 61 MET CB C 61 31.473 31.473 32.599 -1.126 25536 7656 1 16 . 1 1 61 61 MET H H 61 7.707 7.707 7.986 -0.279 25536 7657 1 16 . 1 1 62 62 VAL N N 62 120.872 120.872 119.472 1.400 25536 7658 1 16 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.821 0.007 25536 7659 1 16 . 1 1 62 62 VAL C C 62 178.786 178.786 177.550 1.236 25536 7660 1 16 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.684 1.428 25536 7661 1 16 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.013 -0.022 25536 7662 1 16 . 1 1 62 62 VAL H H 62 9.009 9.009 8.325 0.684 25536 7663 1 16 . 1 1 63 63 LYS N N 63 116.652 116.652 117.794 -1.142 25536 7664 1 16 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.125 -0.068 25536 7665 1 16 . 1 1 63 63 LYS C C 63 174.784 174.784 175.929 -1.145 25536 7666 1 16 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.585 0.498 25536 7667 1 16 . 1 1 63 63 LYS CB C 63 31.461 31.461 31.972 -0.511 25536 7668 1 16 . 1 1 63 63 LYS H H 63 7.812 7.812 8.112 -0.300 25536 7669 1 16 . 1 1 64 64 GLN N N 64 115.445 115.445 114.875 0.570 25536 7670 1 16 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.918 -0.312 25536 7671 1 16 . 1 1 64 64 GLN C C 64 175.550 175.550 175.068 0.482 25536 7672 1 16 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.426 0.553 25536 7673 1 16 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.368 0.880 25536 7674 1 16 . 1 1 64 64 GLN H H 64 7.642 7.642 8.007 -0.365 25536 7675 1 16 . 1 1 65 65 LEU N N 65 115.724 115.724 118.839 -3.115 25536 7676 1 16 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.502 -0.045 25536 7677 1 16 . 1 1 65 65 LEU C C 65 175.979 175.979 175.708 0.271 25536 7678 1 16 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.327 0.327 25536 7679 1 16 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.840 0.110 25536 7680 1 16 . 1 1 65 65 LEU H H 65 8.097 8.097 7.580 0.517 25536 7681 1 16 . 1 1 66 66 TYR N N 66 112.953 112.953 114.555 -1.602 25536 7682 1 16 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.284 0.008 25536 7683 1 16 . 1 1 66 66 TYR C C 66 173.941 173.941 174.111 -0.170 25536 7684 1 16 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.770 0.859 25536 7685 1 16 . 1 1 66 66 TYR CB C 66 39.748 39.748 41.185 -1.437 25536 7686 1 16 . 1 1 66 66 TYR H H 66 6.856 6.856 6.960 -0.104 25536 7687 1 16 . 1 1 67 67 ASP N N 67 122.196 122.196 121.078 1.118 25536 7688 1 16 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.794 -0.356 25536 7689 1 16 . 1 1 67 67 ASP C C 67 176.779 176.779 177.264 -0.485 25536 7690 1 16 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.456 0.524 25536 7691 1 16 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.211 0.321 25536 7692 1 16 . 1 1 67 67 ASP H H 67 8.324 8.324 8.250 0.074 25536 7693 1 16 . 1 1 68 68 GLN N N 68 123.042 123.042 124.322 -1.280 25536 7694 1 16 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.035 -0.149 25536 7695 1 16 . 1 1 68 68 GLN C C 68 177.122 177.122 177.424 -0.302 25536 7696 1 16 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.601 0.430 25536 7697 1 16 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.584 0.503 25536 7698 1 16 . 1 1 68 68 GLN H H 68 8.563 8.563 8.796 -0.233 25536 7699 1 16 . 1 1 69 69 GLN N N 69 115.263 115.263 115.875 -0.612 25536 7700 1 16 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.370 -0.013 25536 7701 1 16 . 1 1 69 69 GLN C C 69 176.272 176.272 176.437 -0.165 25536 7702 1 16 . 1 1 69 69 GLN CA C 69 57.129 57.129 56.283 0.846 25536 7703 1 16 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.826 0.298 25536 7704 1 16 . 1 1 69 69 GLN H H 69 8.356 8.356 8.196 0.160 25536 7705 1 16 . 1 1 70 70 GLU N N 70 122.549 122.549 119.872 2.677 25536 7706 1 16 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.481 0.038 25536 7707 1 16 . 1 1 70 70 GLU C C 70 175.953 175.953 176.098 -0.145 25536 7708 1 16 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.553 -0.596 25536 7709 1 16 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.974 -0.415 25536 7710 1 16 . 1 1 70 70 GLU H H 70 8.227 8.227 7.631 0.596 25536 7711 1 16 . 1 1 71 71 GLN N N 71 118.815 118.815 122.135 -3.320 25536 7712 1 16 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.216 0.336 25536 7713 1 16 . 1 1 71 71 GLN C C 71 174.842 174.842 176.412 -1.570 25536 7714 1 16 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.524 1.173 25536 7715 1 16 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.541 -0.611 25536 7716 1 16 . 1 1 71 71 GLN H H 71 8.253 8.253 8.827 -0.574 25536 7717 1 16 . 1 1 72 72 HIS N N 72 111.141 111.141 110.595 0.546 25536 7718 1 16 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.504 -0.331 25536 7719 1 16 . 1 1 72 72 HIS C C 72 173.749 173.749 174.404 -0.655 25536 7720 1 16 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.148 1.111 25536 7721 1 16 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.299 1.773 25536 7722 1 16 . 1 1 72 72 HIS H H 72 7.412 7.412 7.548 -0.136 25536 7723 1 16 . 1 1 73 73 MET N N 73 119.350 119.350 121.341 -1.991 25536 7724 1 16 . 1 1 73 73 MET HA H 73 4.584 4.584 4.439 0.145 25536 7725 1 16 . 1 1 73 73 MET C C 73 174.311 174.311 173.907 0.404 25536 7726 1 16 . 1 1 73 73 MET CA C 73 53.186 53.186 53.923 -0.737 25536 7727 1 16 . 1 1 73 73 MET CB C 73 31.731 31.731 33.806 -2.075 25536 7728 1 16 . 1 1 73 73 MET H H 73 7.766 7.766 7.516 0.250 25536 7729 1 16 . 1 1 74 74 VAL N N 74 122.542 122.542 126.839 -4.297 25536 7730 1 16 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.535 -0.587 25536 7731 1 16 . 1 1 74 74 VAL C C 74 174.756 174.756 174.250 0.506 25536 7732 1 16 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.107 1.515 25536 7733 1 16 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.699 0.115 25536 7734 1 16 . 1 1 74 74 VAL H H 74 8.456 8.456 8.514 -0.058 25536 7735 1 16 . 1 1 75 75 TYR N N 75 125.680 125.680 125.666 0.014 25536 7736 1 16 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.199 -0.440 25536 7737 1 16 . 1 1 75 75 TYR C C 75 174.923 174.923 175.309 -0.386 25536 7738 1 16 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.216 0.596 25536 7739 1 16 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.624 0.225 25536 7740 1 16 . 1 1 75 75 TYR H H 75 8.213 8.213 8.995 -0.782 25536 7741 1 16 . 1 1 76 76 CYS N N 76 116.702 116.702 121.104 -4.402 25536 7742 1 16 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.648 0.091 25536 7743 1 16 . 1 1 76 76 CYS C C 76 174.231 174.231 175.151 -0.920 25536 7744 1 16 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.603 -2.500 25536 7745 1 16 . 1 1 76 76 CYS CB C 76 29.697 29.697 28.249 1.448 25536 7746 1 16 . 1 1 76 76 CYS H H 76 8.307 8.307 8.810 -0.503 25536 7747 1 16 . 1 1 77 77 GLY N N 77 111.569 111.569 109.335 2.234 25536 7748 1 16 . 1 1 77 77 GLY C C 77 174.662 174.662 174.876 -0.214 25536 7749 1 16 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.512 0.637 25536 7750 1 16 . 1 1 77 77 GLY H H 77 8.484 8.484 7.978 0.506 25536 7751 1 16 . 1 1 78 78 GLY N N 78 113.022 113.022 112.935 0.087 25536 7752 1 16 . 1 1 78 78 GLY C C 78 172.811 172.811 174.330 -1.519 25536 7753 1 16 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.880 0.880 25536 7754 1 16 . 1 1 78 78 GLY H H 78 8.889 8.889 8.633 0.256 25536 7755 1 16 . 1 1 79 79 ASP N N 79 119.431 119.431 120.161 -0.730 25536 7756 1 16 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.809 0.079 25536 7757 1 16 . 1 1 79 79 ASP C C 79 176.302 176.302 176.021 0.281 25536 7758 1 16 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.444 -0.351 25536 7759 1 16 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.865 4.399 25536 7760 1 16 . 1 1 79 79 ASP H H 79 7.789 7.789 7.802 -0.013 25536 7761 1 16 . 1 1 80 80 LEU N N 80 128.421 128.421 125.276 3.145 25536 7762 1 16 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.141 -0.077 25536 7763 1 16 . 1 1 80 80 LEU C C 80 179.059 179.059 178.322 0.737 25536 7764 1 16 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.674 1.129 25536 7765 1 16 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.190 0.213 25536 7766 1 16 . 1 1 80 80 LEU H H 80 8.549 8.549 9.022 -0.473 25536 7767 1 16 . 1 1 81 81 LEU N N 81 118.633 118.633 119.737 -1.104 25536 7768 1 16 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.950 -0.083 25536 7769 1 16 . 1 1 81 81 LEU C C 81 178.542 178.542 178.016 0.526 25536 7770 1 16 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.012 0.759 25536 7771 1 16 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.294 1.355 25536 7772 1 16 . 1 1 81 81 LEU H H 81 9.973 9.973 8.711 1.262 25536 7773 1 16 . 1 1 82 82 GLY N N 82 105.564 105.564 105.160 0.404 25536 7774 1 16 . 1 1 82 82 GLY C C 82 176.907 176.907 175.868 1.039 25536 7775 1 16 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.022 1.041 25536 7776 1 16 . 1 1 82 82 GLY H H 82 7.559 7.559 8.158 -0.599 25536 7777 1 16 . 1 1 83 83 GLU N N 83 121.706 121.706 122.531 -0.825 25536 7778 1 16 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.082 -0.100 25536 7779 1 16 . 1 1 83 83 GLU C C 83 179.215 179.215 178.799 0.416 25536 7780 1 16 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.758 0.404 25536 7781 1 16 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.545 -0.052 25536 7782 1 16 . 1 1 83 83 GLU H H 83 7.536 7.536 8.094 -0.558 25536 7783 1 16 . 1 1 84 84 LEU N N 84 118.455 118.455 121.421 -2.966 25536 7784 1 16 . 1 1 84 84 LEU HA H 84 4.024 4.024 3.999 0.025 25536 7785 1 16 . 1 1 84 84 LEU C C 84 178.842 178.842 178.119 0.723 25536 7786 1 16 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.271 0.204 25536 7787 1 16 . 1 1 84 84 LEU CB C 84 42.487 42.487 41.974 0.513 25536 7788 1 16 . 1 1 84 84 LEU H H 84 7.701 7.701 7.911 -0.210 25536 7789 1 16 . 1 1 85 85 LEU N N 85 115.271 115.271 115.065 0.206 25536 7790 1 16 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.974 -0.198 25536 7791 1 16 . 1 1 85 85 LEU C C 85 177.773 177.773 177.851 -0.078 25536 7792 1 16 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.173 0.202 25536 7793 1 16 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.487 1.406 25536 7794 1 16 . 1 1 85 85 LEU H H 85 8.117 8.117 7.919 0.198 25536 7795 1 16 . 1 1 86 86 GLY N N 86 107.216 107.216 104.923 2.293 25536 7796 1 16 . 1 1 86 86 GLY C C 86 174.090 174.090 173.844 0.246 25536 7797 1 16 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.223 1.092 25536 7798 1 16 . 1 1 86 86 GLY H H 86 7.983 7.983 8.036 -0.053 25536 7799 1 16 . 1 1 87 87 ARG N N 87 113.296 113.296 116.568 -3.272 25536 7800 1 16 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.675 -0.021 25536 7801 1 16 . 1 1 87 87 ARG C C 87 174.720 174.720 174.874 -0.154 25536 7802 1 16 . 1 1 87 87 ARG CA C 87 54.279 54.279 54.060 0.219 25536 7803 1 16 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.703 2.692 25536 7804 1 16 . 1 1 87 87 ARG H H 87 7.411 7.411 7.628 -0.217 25536 7805 1 16 . 1 1 88 88 GLN N N 88 115.575 115.575 119.730 -4.155 25536 7806 1 16 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.263 -0.210 25536 7807 1 16 . 1 1 88 88 GLN C C 88 175.946 175.946 174.970 0.976 25536 7808 1 16 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.396 0.016 25536 7809 1 16 . 1 1 88 88 GLN CB C 88 29.790 29.790 28.932 0.858 25536 7810 1 16 . 1 1 88 88 GLN H H 88 8.653 8.653 8.837 -0.184 25536 7811 1 16 . 1 1 89 89 SER N N 89 110.451 110.451 111.354 -0.903 25536 7812 1 16 . 1 1 89 89 SER HA H 89 5.428 5.428 5.199 0.229 25536 7813 1 16 . 1 1 89 89 SER C C 89 173.062 173.062 172.848 0.214 25536 7814 1 16 . 1 1 89 89 SER CA C 89 57.011 57.011 56.168 0.843 25536 7815 1 16 . 1 1 89 89 SER CB C 89 66.560 66.560 66.312 0.248 25536 7816 1 16 . 1 1 89 89 SER H H 89 7.625 7.625 7.399 0.226 25536 7817 1 16 . 1 1 90 90 PHE N N 90 115.159 115.159 117.055 -1.896 25536 7818 1 16 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.975 -0.290 25536 7819 1 16 . 1 1 90 90 PHE C C 90 170.337 170.337 172.421 -2.084 25536 7820 1 16 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.128 0.070 25536 7821 1 16 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.516 -0.103 25536 7822 1 16 . 1 1 90 90 PHE H H 90 8.549 8.549 8.076 0.473 25536 7823 1 16 . 1 1 91 91 SER N N 91 113.637 113.637 114.445 -0.808 25536 7824 1 16 . 1 1 91 91 SER HA H 91 5.350 5.350 4.981 0.369 25536 7825 1 16 . 1 1 91 91 SER C C 91 178.100 178.100 176.163 1.937 25536 7826 1 16 . 1 1 91 91 SER CA C 91 54.748 54.748 54.707 0.041 25536 7827 1 16 . 1 1 91 91 SER CB C 91 65.325 65.325 65.569 -0.244 25536 7828 1 16 . 1 1 91 91 SER H H 91 9.010 9.010 8.363 0.647 25536 7829 1 16 . 1 1 92 92 VAL N N 92 120.560 120.560 126.984 -6.424 25536 7830 1 16 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.795 0.113 25536 7831 1 16 . 1 1 92 92 VAL C C 92 175.704 175.704 176.800 -1.096 25536 7832 1 16 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.458 -1.458 25536 7833 1 16 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.887 -1.087 25536 7834 1 16 . 1 1 92 92 VAL H H 92 8.948 8.948 9.271 -0.323 25536 7835 1 16 . 1 1 93 93 LYS N N 93 116.481 116.481 118.333 -1.852 25536 7836 1 16 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.338 -0.391 25536 7837 1 16 . 1 1 93 93 LYS C C 93 177.088 177.088 176.071 1.017 25536 7838 1 16 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.398 1.301 25536 7839 1 16 . 1 1 93 93 LYS CB C 93 32.258 32.258 32.671 -0.413 25536 7840 1 16 . 1 1 93 93 LYS H H 93 8.086 8.086 7.779 0.307 25536 7841 1 16 . 1 1 94 94 ASP N N 94 114.885 114.885 119.251 -4.366 25536 7842 1 16 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.076 -0.134 25536 7843 1 16 . 1 1 94 94 ASP C C 94 173.021 173.021 175.011 -1.990 25536 7844 1 16 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.687 -0.098 25536 7845 1 16 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.788 -0.343 25536 7846 1 16 . 1 1 94 94 ASP H H 94 7.399 7.399 7.795 -0.396 25536 7847 1 16 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.922 -0.504 25536 7848 1 16 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.584 0.062 25536 7849 1 16 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.756 0.004 25536 7850 1 16 . 1 1 96 96 SER N N 96 118.790 118.790 117.147 1.643 25536 7851 1 16 . 1 1 96 96 SER HA H 96 4.219 4.219 4.276 -0.057 25536 7852 1 16 . 1 1 96 96 SER C C 96 173.615 173.615 174.071 -0.456 25536 7853 1 16 . 1 1 96 96 SER CA C 96 64.525 64.525 63.839 0.686 25536 7854 1 16 . 1 1 96 96 SER CB C 96 61.994 61.994 61.159 0.835 25536 7855 1 16 . 1 1 96 96 SER H H 96 8.052 8.052 8.775 -0.723 25536 7856 1 16 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.435 -0.088 25536 7857 1 16 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.013 1.003 25536 7858 1 16 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.320 0.292 25536 7859 1 16 . 1 1 98 98 LEU N N 98 117.938 117.938 119.115 -1.177 25536 7860 1 16 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.785 -0.189 25536 7861 1 16 . 1 1 98 98 LEU C C 98 178.196 178.196 177.846 0.350 25536 7862 1 16 . 1 1 98 98 LEU CA C 98 57.284 57.284 58.628 -1.344 25536 7863 1 16 . 1 1 98 98 LEU CB C 98 41.409 41.409 40.490 0.919 25536 7864 1 16 . 1 1 98 98 LEU H H 98 7.076 7.076 7.722 -0.646 25536 7865 1 16 . 1 1 99 99 TYR N N 99 117.957 117.957 118.050 -0.093 25536 7866 1 16 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.053 0.097 25536 7867 1 16 . 1 1 99 99 TYR C C 99 178.767 178.767 178.108 0.659 25536 7868 1 16 . 1 1 99 99 TYR CA C 99 61.223 61.223 62.144 -0.921 25536 7869 1 16 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.619 -0.581 25536 7870 1 16 . 1 1 99 99 TYR H H 99 7.547 7.547 7.448 0.099 25536 7871 1 16 . 1 1 100 100 ASP N N 100 119.536 119.536 120.081 -0.545 25536 7872 1 16 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.381 -0.055 25536 7873 1 16 . 1 1 100 100 ASP C C 100 177.737 177.737 178.125 -0.388 25536 7874 1 16 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.138 0.737 25536 7875 1 16 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.818 0.323 25536 7876 1 16 . 1 1 100 100 ASP H H 100 8.292 8.292 7.967 0.325 25536 7877 1 16 . 1 1 101 101 MET N N 101 118.757 118.757 117.343 1.414 25536 7878 1 16 . 1 1 101 101 MET HA H 101 3.964 3.964 4.334 -0.370 25536 7879 1 16 . 1 1 101 101 MET C C 101 180.006 180.006 177.100 2.906 25536 7880 1 16 . 1 1 101 101 MET CA C 101 59.710 59.710 57.547 2.163 25536 7881 1 16 . 1 1 101 101 MET CB C 101 31.642 31.642 32.155 -0.513 25536 7882 1 16 . 1 1 101 101 MET H H 101 7.226 7.226 7.846 -0.620 25536 7883 1 16 . 1 1 102 102 LEU N N 102 121.624 121.624 119.146 2.478 25536 7884 1 16 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.236 -0.540 25536 7885 1 16 . 1 1 102 102 LEU C C 102 178.566 178.566 179.101 -0.535 25536 7886 1 16 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.884 2.043 25536 7887 1 16 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.975 -0.490 25536 7888 1 16 . 1 1 102 102 LEU H H 102 8.472 8.472 7.795 0.677 25536 7889 1 16 . 1 1 103 103 ARG N N 103 117.111 117.111 118.882 -1.771 25536 7890 1 16 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.073 -0.103 25536 7891 1 16 . 1 1 103 103 ARG C C 103 178.818 178.818 178.009 0.809 25536 7892 1 16 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.532 0.971 25536 7893 1 16 . 1 1 103 103 ARG CB C 103 30.295 30.295 29.625 0.670 25536 7894 1 16 . 1 1 103 103 ARG H H 103 7.932 7.932 8.579 -0.647 25536 7895 1 16 . 1 1 104 104 LYS N N 104 114.172 114.172 116.894 -2.722 25536 7896 1 16 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.342 -0.120 25536 7897 1 16 . 1 1 104 104 LYS C C 104 177.556 177.556 177.687 -0.131 25536 7898 1 16 . 1 1 104 104 LYS CA C 104 57.960 57.960 57.198 0.762 25536 7899 1 16 . 1 1 104 104 LYS CB C 104 34.227 34.227 31.861 2.366 25536 7900 1 16 . 1 1 104 104 LYS H H 104 7.157 7.157 7.849 -0.692 25536 7901 1 16 . 1 1 105 105 ASN N N 105 114.145 114.145 116.494 -2.349 25536 7902 1 16 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.794 -0.063 25536 7903 1 16 . 1 1 105 105 ASN C C 105 172.822 172.822 174.482 -1.660 25536 7904 1 16 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.120 0.723 25536 7905 1 16 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.869 1.776 25536 7906 1 16 . 1 1 105 105 ASN H H 105 7.665 7.665 8.005 -0.340 25536 7907 1 16 . 1 1 106 106 LEU N N 106 118.600 118.600 122.408 -3.808 25536 7908 1 16 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.401 0.270 25536 7909 1 16 . 1 1 106 106 LEU C C 106 175.658 175.658 175.980 -0.322 25536 7910 1 16 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.906 -0.748 25536 7911 1 16 . 1 1 106 106 LEU CB C 106 43.565 43.565 42.000 1.565 25536 7912 1 16 . 1 1 106 106 LEU H H 106 7.439 7.439 8.183 -0.744 25536 7913 1 16 . 1 1 107 107 VAL N N 107 122.739 122.739 127.041 -4.302 25536 7914 1 16 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.262 -0.054 25536 7915 1 16 . 1 1 107 107 VAL C C 107 176.054 176.054 175.279 0.775 25536 7916 1 16 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.377 0.840 25536 7917 1 16 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.016 1.564 25536 7918 1 16 . 1 1 107 107 VAL H H 107 8.182 8.182 8.330 -0.148 25536 7919 1 16 . 1 1 108 108 THR N N 108 120.854 120.854 118.062 2.792 25536 7920 1 16 . 1 1 108 108 THR HA H 108 4.336 4.336 4.470 -0.134 25536 7921 1 16 . 1 1 108 108 THR C C 108 174.216 174.216 175.531 -1.315 25536 7922 1 16 . 1 1 108 108 THR CA C 108 62.726 62.726 61.517 1.209 25536 7923 1 16 . 1 1 108 108 THR CB C 108 70.080 70.080 70.302 -0.222 25536 7924 1 16 . 1 1 108 108 THR H H 108 8.524 8.524 8.067 0.457 25536 7925 1 16 . 1 1 109 109 LEU N N 109 125.529 125.529 122.727 2.802 25536 7926 1 16 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.251 0.101 25536 7927 1 16 . 1 1 109 109 LEU C C 109 176.523 176.523 176.128 0.395 25536 7928 1 16 . 1 1 109 109 LEU CA C 109 55.047 55.047 56.371 -1.324 25536 7929 1 16 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.358 1.232 25536 7930 1 16 . 1 1 109 109 LEU H H 109 8.313 8.313 8.217 0.096 25536 7931 1 16 . 1 1 110 110 ALA N N 110 125.099 125.099 120.912 4.187 25536 7932 1 16 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.337 0.029 25536 7933 1 16 . 1 1 110 110 ALA C C 110 176.847 176.847 177.216 -0.369 25536 7934 1 16 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.913 -0.285 25536 7935 1 16 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.314 0.392 25536 7936 1 16 . 1 1 110 110 ALA H H 110 8.257 8.257 7.805 0.452 25536 7937 1 17 . 1 1 24 24 ILE N N 24 120.668 120.668 120.912 -0.244 25536 7938 1 17 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.127 0.020 25536 7939 1 17 . 1 1 24 24 ILE C C 24 175.650 175.650 175.703 -0.053 25536 7940 1 17 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.904 -0.562 25536 7941 1 17 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.206 0.861 25536 7942 1 17 . 1 1 24 24 ILE H H 24 8.119 8.119 8.862 -0.743 25536 7943 1 17 . 1 1 25 25 ASN N N 25 122.032 122.032 118.244 3.788 25536 7944 1 17 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.431 0.273 25536 7945 1 17 . 1 1 25 25 ASN C C 25 174.775 174.775 173.979 0.796 25536 7946 1 17 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.531 0.199 25536 7947 1 17 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.630 1.776 25536 7948 1 17 . 1 1 25 25 ASN H H 25 8.446 8.446 8.602 -0.156 25536 7949 1 17 . 1 1 26 26 GLN N N 26 118.655 118.655 117.324 1.331 25536 7950 1 17 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.569 0.018 25536 7951 1 17 . 1 1 26 26 GLN C C 26 175.291 175.291 174.304 0.987 25536 7952 1 17 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.158 1.544 25536 7953 1 17 . 1 1 26 26 GLN CB C 26 32.258 32.258 31.024 1.234 25536 7954 1 17 . 1 1 26 26 GLN H H 26 8.215 8.215 7.848 0.367 25536 7955 1 17 . 1 1 27 27 VAL N N 27 113.749 113.749 119.826 -6.077 25536 7956 1 17 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.269 0.598 25536 7957 1 17 . 1 1 27 27 VAL C C 27 173.900 173.900 174.938 -1.038 25536 7958 1 17 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.521 -1.405 25536 7959 1 17 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.614 2.490 25536 7960 1 17 . 1 1 27 27 VAL H H 27 9.417 9.417 8.404 1.013 25536 7961 1 17 . 1 1 28 28 ARG N N 28 121.515 121.515 124.157 -2.642 25536 7962 1 17 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.133 0.324 25536 7963 1 17 . 1 1 28 28 ARG C C 28 175.090 175.090 175.241 -0.151 25536 7964 1 17 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.775 -1.204 25536 7965 1 17 . 1 1 28 28 ARG CB C 28 33.674 33.674 29.665 4.009 25536 7966 1 17 . 1 1 28 28 ARG H H 28 8.901 8.901 8.349 0.552 25536 7967 1 17 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.490 0.505 25536 7968 1 17 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.120 -0.068 25536 7969 1 17 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.910 -0.649 25536 7970 1 17 . 1 1 30 30 LYS N N 30 121.291 121.291 119.130 2.161 25536 7971 1 17 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.176 0.025 25536 7972 1 17 . 1 1 30 30 LYS C C 30 177.557 177.557 178.847 -1.290 25536 7973 1 17 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.190 1.532 25536 7974 1 17 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.680 0.315 25536 7975 1 17 . 1 1 30 30 LYS H H 30 8.476 8.476 8.128 0.348 25536 7976 1 17 . 1 1 31 31 LEU N N 31 121.578 121.578 125.016 -3.438 25536 7977 1 17 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.160 -0.105 25536 7978 1 17 . 1 1 31 31 LEU C C 31 174.261 174.261 176.036 -1.775 25536 7979 1 17 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.943 0.253 25536 7980 1 17 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.161 0.689 25536 7981 1 17 . 1 1 31 31 LEU H H 31 8.584 8.584 8.964 -0.380 25536 7982 1 17 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.229 -0.096 25536 7983 1 17 . 1 1 32 32 PRO CA C 32 66.578 66.578 66.117 0.461 25536 7984 1 17 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.198 0.279 25536 7985 1 17 . 1 1 33 33 LEU N N 33 113.190 113.190 118.481 -5.291 25536 7986 1 17 . 1 1 33 33 LEU HA H 33 3.975 3.975 3.990 -0.015 25536 7987 1 17 . 1 1 33 33 LEU C C 33 177.726 177.726 178.752 -1.026 25536 7988 1 17 . 1 1 33 33 LEU CA C 33 56.140 56.140 58.308 -2.168 25536 7989 1 17 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.400 0.447 25536 7990 1 17 . 1 1 33 33 LEU H H 33 6.605 6.605 7.507 -0.902 25536 7991 1 17 . 1 1 34 34 LEU N N 34 121.683 121.683 120.386 1.297 25536 7992 1 17 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.828 -0.446 25536 7993 1 17 . 1 1 34 34 LEU C C 34 177.321 177.321 178.589 -1.268 25536 7994 1 17 . 1 1 34 34 LEU CA C 34 58.237 58.237 58.262 -0.025 25536 7995 1 17 . 1 1 34 34 LEU CB C 34 41.911 41.911 40.958 0.953 25536 7996 1 17 . 1 1 34 34 LEU H H 34 8.399 8.399 8.408 -0.009 25536 7997 1 17 . 1 1 35 35 LYS N N 35 114.524 114.524 119.232 -4.708 25536 7998 1 17 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.055 -0.262 25536 7999 1 17 . 1 1 35 35 LYS C C 35 180.207 180.207 179.196 1.011 25536 8000 1 17 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.340 0.730 25536 8001 1 17 . 1 1 35 35 LYS CB C 35 32.469 32.469 32.130 0.339 25536 8002 1 17 . 1 1 35 35 LYS H H 35 7.940 7.940 8.216 -0.276 25536 8003 1 17 . 1 1 36 36 ILE N N 36 119.857 119.857 120.431 -0.574 25536 8004 1 17 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.626 -0.322 25536 8005 1 17 . 1 1 36 36 ILE C C 36 176.418 176.418 177.620 -1.202 25536 8006 1 17 . 1 1 36 36 ILE CA C 36 64.480 64.480 65.563 -1.083 25536 8007 1 17 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.669 -0.065 25536 8008 1 17 . 1 1 36 36 ILE H H 36 6.742 6.742 7.529 -0.787 25536 8009 1 17 . 1 1 37 37 LEU N N 37 116.695 116.695 119.459 -2.764 25536 8010 1 17 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.915 -0.393 25536 8011 1 17 . 1 1 37 37 LEU C C 37 180.263 180.263 179.400 0.863 25536 8012 1 17 . 1 1 37 37 LEU CA C 37 58.280 58.280 57.893 0.387 25536 8013 1 17 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.769 -1.631 25536 8014 1 17 . 1 1 37 37 LEU H H 37 7.595 7.595 8.054 -0.459 25536 8015 1 17 . 1 1 38 38 HIS N N 38 117.829 117.829 117.426 0.403 25536 8016 1 17 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.219 0.463 25536 8017 1 17 . 1 1 38 38 HIS C C 38 180.133 180.133 178.107 2.026 25536 8018 1 17 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.494 -1.203 25536 8019 1 17 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.317 1.094 25536 8020 1 17 . 1 1 38 38 HIS H H 38 8.955 8.955 8.660 0.295 25536 8021 1 17 . 1 1 39 39 ALA N N 39 124.006 124.006 122.008 1.998 25536 8022 1 17 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.210 0.036 25536 8023 1 17 . 1 1 39 39 ALA C C 39 178.835 178.835 178.513 0.322 25536 8024 1 17 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.513 0.572 25536 8025 1 17 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.438 -0.327 25536 8026 1 17 . 1 1 39 39 ALA H H 39 7.945 7.945 8.318 -0.373 25536 8027 1 17 . 1 1 40 40 ALA N N 40 118.201 118.201 119.337 -1.136 25536 8028 1 17 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.347 0.074 25536 8029 1 17 . 1 1 40 40 ALA C C 40 176.261 176.261 177.961 -1.700 25536 8030 1 17 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.466 -0.330 25536 8031 1 17 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.276 0.836 25536 8032 1 17 . 1 1 40 40 ALA H H 40 7.665 7.665 7.584 0.081 25536 8033 1 17 . 1 1 41 41 GLY N N 41 103.920 103.920 107.593 -3.673 25536 8034 1 17 . 1 1 41 41 GLY C C 41 174.412 174.412 173.764 0.648 25536 8035 1 17 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.753 0.214 25536 8036 1 17 . 1 1 41 41 GLY H H 41 7.683 7.683 7.718 -0.035 25536 8037 1 17 . 1 1 42 42 ALA N N 42 123.582 123.582 121.419 2.163 25536 8038 1 17 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.431 0.204 25536 8039 1 17 . 1 1 42 42 ALA C C 42 175.772 175.772 176.974 -1.202 25536 8040 1 17 . 1 1 42 42 ALA CA C 42 52.680 52.680 50.830 1.850 25536 8041 1 17 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.508 -0.152 25536 8042 1 17 . 1 1 42 42 ALA H H 42 7.578 7.578 7.665 -0.088 25536 8043 1 17 . 1 1 43 43 GLN N N 43 116.996 116.996 121.369 -4.373 25536 8044 1 17 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.508 -0.159 25536 8045 1 17 . 1 1 43 43 GLN C C 43 175.528 175.528 175.482 0.046 25536 8046 1 17 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.067 -0.416 25536 8047 1 17 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.015 3.399 25536 8048 1 17 . 1 1 43 43 GLN H H 43 8.481 8.481 8.548 -0.067 25536 8049 1 17 . 1 1 44 44 GLY N N 44 108.128 108.128 106.709 1.419 25536 8050 1 17 . 1 1 44 44 GLY C C 44 173.892 173.892 172.579 1.313 25536 8051 1 17 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.283 -0.585 25536 8052 1 17 . 1 1 44 44 GLY H H 44 8.510 8.510 7.805 0.705 25536 8053 1 17 . 1 1 45 45 GLU N N 45 114.113 114.113 118.946 -4.833 25536 8054 1 17 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.467 0.141 25536 8055 1 17 . 1 1 45 45 GLU C C 45 174.007 174.007 174.555 -0.548 25536 8056 1 17 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.773 1.056 25536 8057 1 17 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.213 1.838 25536 8058 1 17 . 1 1 45 45 GLU H H 45 8.245 8.245 8.311 -0.066 25536 8059 1 17 . 1 1 46 46 MET N N 46 115.322 115.322 117.351 -2.029 25536 8060 1 17 . 1 1 46 46 MET HA H 46 5.051 5.051 4.319 0.732 25536 8061 1 17 . 1 1 46 46 MET C C 46 174.637 174.637 174.124 0.513 25536 8062 1 17 . 1 1 46 46 MET CA C 46 54.264 54.264 54.130 0.134 25536 8063 1 17 . 1 1 46 46 MET CB C 46 35.854 35.854 34.241 1.613 25536 8064 1 17 . 1 1 46 46 MET H H 46 6.872 6.872 7.018 -0.146 25536 8065 1 17 . 1 1 47 47 PHE N N 47 119.008 119.008 119.905 -0.897 25536 8066 1 17 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.000 0.094 25536 8067 1 17 . 1 1 47 47 PHE C C 47 175.742 175.742 174.031 1.711 25536 8068 1 17 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.800 1.538 25536 8069 1 17 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.258 5.654 25536 8070 1 17 . 1 1 47 47 PHE H H 47 8.623 8.623 8.943 -0.320 25536 8071 1 17 . 1 1 48 48 THR N N 48 110.544 110.544 111.788 -1.244 25536 8072 1 17 . 1 1 48 48 THR HA H 48 4.990 4.990 4.524 0.466 25536 8073 1 17 . 1 1 48 48 THR C C 48 176.666 176.666 176.150 0.516 25536 8074 1 17 . 1 1 48 48 THR CA C 48 61.095 61.095 60.253 0.842 25536 8075 1 17 . 1 1 48 48 THR CB C 48 71.136 71.136 70.652 0.484 25536 8076 1 17 . 1 1 48 48 THR H H 48 9.108 9.108 8.268 0.840 25536 8077 1 17 . 1 1 49 49 VAL N N 49 121.588 121.588 121.802 -0.214 25536 8078 1 17 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.605 -0.224 25536 8079 1 17 . 1 1 49 49 VAL C C 49 177.726 177.726 177.737 -0.011 25536 8080 1 17 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.357 0.884 25536 8081 1 17 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.414 0.141 25536 8082 1 17 . 1 1 49 49 VAL H H 49 9.044 9.044 9.003 0.041 25536 8083 1 17 . 1 1 50 50 LYS N N 50 118.341 118.341 116.574 1.767 25536 8084 1 17 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.022 -0.063 25536 8085 1 17 . 1 1 50 50 LYS C C 50 180.060 180.060 178.348 1.712 25536 8086 1 17 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.113 1.243 25536 8087 1 17 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.817 1.022 25536 8088 1 17 . 1 1 50 50 LYS H H 50 8.132 8.132 8.620 -0.488 25536 8089 1 17 . 1 1 51 51 GLU N N 51 119.521 119.521 119.959 -0.438 25536 8090 1 17 . 1 1 51 51 GLU HA H 51 4.046 4.046 4.040 0.006 25536 8091 1 17 . 1 1 51 51 GLU C C 51 178.583 178.583 178.559 0.024 25536 8092 1 17 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.367 1.536 25536 8093 1 17 . 1 1 51 51 GLU CB C 51 31.456 31.456 29.844 1.612 25536 8094 1 17 . 1 1 51 51 GLU H H 51 7.877 7.877 7.629 0.248 25536 8095 1 17 . 1 1 52 52 VAL N N 52 119.044 119.044 118.558 0.486 25536 8096 1 17 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.537 -0.287 25536 8097 1 17 . 1 1 52 52 VAL C C 52 177.546 177.546 178.026 -0.480 25536 8098 1 17 . 1 1 52 52 VAL CA C 52 67.901 67.901 66.070 1.831 25536 8099 1 17 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.252 0.125 25536 8100 1 17 . 1 1 52 52 VAL H H 52 8.245 8.245 8.356 -0.111 25536 8101 1 17 . 1 1 53 53 MET N N 53 114.669 114.669 116.444 -1.775 25536 8102 1 17 . 1 1 53 53 MET HA H 53 4.198 4.198 4.082 0.116 25536 8103 1 17 . 1 1 53 53 MET C C 53 178.699 178.699 177.411 1.288 25536 8104 1 17 . 1 1 53 53 MET CA C 53 57.748 57.748 58.538 -0.790 25536 8105 1 17 . 1 1 53 53 MET CB C 53 32.680 32.680 31.982 0.699 25536 8106 1 17 . 1 1 53 53 MET H H 53 8.188 8.188 8.107 0.081 25536 8107 1 17 . 1 1 54 54 HIS N N 54 118.909 118.909 121.034 -2.125 25536 8108 1 17 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.151 -0.034 25536 8109 1 17 . 1 1 54 54 HIS C C 54 178.675 178.675 177.064 1.611 25536 8110 1 17 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.566 -0.294 25536 8111 1 17 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.732 0.865 25536 8112 1 17 . 1 1 54 54 HIS H H 54 8.091 8.091 7.350 0.741 25536 8113 1 17 . 1 1 55 55 TYR N N 55 116.769 116.769 117.537 -0.768 25536 8114 1 17 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.212 -0.360 25536 8115 1 17 . 1 1 55 55 TYR C C 55 177.794 177.794 178.053 -0.259 25536 8116 1 17 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.875 2.842 25536 8117 1 17 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.135 1.994 25536 8118 1 17 . 1 1 55 55 TYR H H 55 8.468 8.468 7.512 0.956 25536 8119 1 17 . 1 1 56 56 LEU N N 56 120.819 120.819 120.584 0.235 25536 8120 1 17 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.884 -0.075 25536 8121 1 17 . 1 1 56 56 LEU C C 56 178.484 178.484 179.139 -0.655 25536 8122 1 17 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.701 0.921 25536 8123 1 17 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.078 1.503 25536 8124 1 17 . 1 1 56 56 LEU H H 56 8.455 8.455 7.388 1.067 25536 8125 1 17 . 1 1 57 57 GLY N N 57 104.896 104.896 106.933 -2.037 25536 8126 1 17 . 1 1 57 57 GLY C C 57 175.647 175.647 175.770 -0.123 25536 8127 1 17 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.283 -0.044 25536 8128 1 17 . 1 1 57 57 GLY H H 57 7.691 7.691 8.222 -0.531 25536 8129 1 17 . 1 1 58 58 GLN N N 58 119.080 119.080 121.798 -2.718 25536 8130 1 17 . 1 1 58 58 GLN HA H 58 3.812 3.812 4.011 -0.199 25536 8131 1 17 . 1 1 58 58 GLN C C 58 177.429 177.429 177.700 -0.271 25536 8132 1 17 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.469 0.209 25536 8133 1 17 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.422 0.453 25536 8134 1 17 . 1 1 58 58 GLN H H 58 7.704 7.704 8.129 -0.425 25536 8135 1 17 . 1 1 59 59 TYR N N 59 120.995 120.995 122.544 -1.549 25536 8136 1 17 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.216 -0.412 25536 8137 1 17 . 1 1 59 59 TYR C C 59 176.215 176.215 177.435 -1.220 25536 8138 1 17 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.113 0.452 25536 8139 1 17 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.676 -0.057 25536 8140 1 17 . 1 1 59 59 TYR H H 59 8.500 8.500 8.100 0.400 25536 8141 1 17 . 1 1 60 60 ILE N N 60 116.532 116.532 119.445 -2.913 25536 8142 1 17 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.669 -0.366 25536 8143 1 17 . 1 1 60 60 ILE C C 60 177.952 177.952 178.383 -0.431 25536 8144 1 17 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.834 -0.287 25536 8145 1 17 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.941 0.490 25536 8146 1 17 . 1 1 60 60 ILE H H 60 7.585 7.585 8.765 -1.180 25536 8147 1 17 . 1 1 61 61 MET N N 61 115.556 115.556 119.802 -4.246 25536 8148 1 17 . 1 1 61 61 MET HA H 61 4.547 4.547 4.404 0.143 25536 8149 1 17 . 1 1 61 61 MET C C 61 180.579 180.579 178.476 2.103 25536 8150 1 17 . 1 1 61 61 MET CA C 61 57.563 57.563 58.439 -0.876 25536 8151 1 17 . 1 1 61 61 MET CB C 61 31.473 31.473 31.944 -0.471 25536 8152 1 17 . 1 1 61 61 MET H H 61 7.707 7.707 8.206 -0.499 25536 8153 1 17 . 1 1 62 62 VAL N N 62 120.872 120.872 119.286 1.586 25536 8154 1 17 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.817 0.011 25536 8155 1 17 . 1 1 62 62 VAL C C 62 178.786 178.786 177.512 1.274 25536 8156 1 17 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.895 1.217 25536 8157 1 17 . 1 1 62 62 VAL CB C 62 31.991 31.991 31.926 0.065 25536 8158 1 17 . 1 1 62 62 VAL H H 62 9.009 9.009 8.384 0.625 25536 8159 1 17 . 1 1 63 63 LYS N N 63 116.652 116.652 117.580 -0.928 25536 8160 1 17 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.136 -0.079 25536 8161 1 17 . 1 1 63 63 LYS C C 63 174.784 174.784 175.824 -1.040 25536 8162 1 17 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.709 0.374 25536 8163 1 17 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.322 -0.861 25536 8164 1 17 . 1 1 63 63 LYS H H 63 7.812 7.812 8.180 -0.368 25536 8165 1 17 . 1 1 64 64 GLN N N 64 115.445 115.445 114.155 1.290 25536 8166 1 17 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.485 0.121 25536 8167 1 17 . 1 1 64 64 GLN C C 64 175.550 175.550 175.070 0.480 25536 8168 1 17 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.410 0.569 25536 8169 1 17 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.000 1.248 25536 8170 1 17 . 1 1 64 64 GLN H H 64 7.642 7.642 7.826 -0.184 25536 8171 1 17 . 1 1 65 65 LEU N N 65 115.724 115.724 119.187 -3.463 25536 8172 1 17 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.462 -0.005 25536 8173 1 17 . 1 1 65 65 LEU C C 65 175.979 175.979 175.531 0.448 25536 8174 1 17 . 1 1 65 65 LEU CA C 65 54.654 54.654 53.750 0.904 25536 8175 1 17 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.199 0.751 25536 8176 1 17 . 1 1 65 65 LEU H H 65 8.097 8.097 7.498 0.599 25536 8177 1 17 . 1 1 66 66 TYR N N 66 112.953 112.953 115.168 -2.215 25536 8178 1 17 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.273 0.019 25536 8179 1 17 . 1 1 66 66 TYR C C 66 173.941 173.941 174.849 -0.908 25536 8180 1 17 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.565 1.064 25536 8181 1 17 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.614 -0.866 25536 8182 1 17 . 1 1 66 66 TYR H H 66 6.856 6.856 6.605 0.251 25536 8183 1 17 . 1 1 67 67 ASP N N 67 122.196 122.196 120.996 1.200 25536 8184 1 17 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.779 -0.341 25536 8185 1 17 . 1 1 67 67 ASP C C 67 176.779 176.779 177.638 -0.859 25536 8186 1 17 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.509 0.471 25536 8187 1 17 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.720 -0.188 25536 8188 1 17 . 1 1 67 67 ASP H H 67 8.324 8.324 8.402 -0.078 25536 8189 1 17 . 1 1 68 68 GLN N N 68 123.042 123.042 122.818 0.224 25536 8190 1 17 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.195 -0.309 25536 8191 1 17 . 1 1 68 68 GLN C C 68 177.122 177.122 177.266 -0.144 25536 8192 1 17 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.671 0.360 25536 8193 1 17 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.790 0.297 25536 8194 1 17 . 1 1 68 68 GLN H H 68 8.563 8.563 8.730 -0.167 25536 8195 1 17 . 1 1 69 69 GLN N N 69 115.263 115.263 117.762 -2.499 25536 8196 1 17 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.244 0.113 25536 8197 1 17 . 1 1 69 69 GLN C C 69 176.272 176.272 175.990 0.282 25536 8198 1 17 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.076 0.053 25536 8199 1 17 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.825 0.300 25536 8200 1 17 . 1 1 69 69 GLN H H 69 8.356 8.356 7.941 0.415 25536 8201 1 17 . 1 1 70 70 GLU N N 70 122.549 122.549 118.043 4.506 25536 8202 1 17 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.413 0.106 25536 8203 1 17 . 1 1 70 70 GLU C C 70 175.953 175.953 175.871 0.082 25536 8204 1 17 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.383 -0.426 25536 8205 1 17 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.617 -0.057 25536 8206 1 17 . 1 1 70 70 GLU H H 70 8.227 8.227 8.144 0.083 25536 8207 1 17 . 1 1 71 71 GLN N N 71 118.815 118.815 122.336 -3.521 25536 8208 1 17 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.674 0.878 25536 8209 1 17 . 1 1 71 71 GLN C C 71 174.842 174.842 176.513 -1.671 25536 8210 1 17 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.360 1.337 25536 8211 1 17 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.363 -0.433 25536 8212 1 17 . 1 1 71 71 GLN H H 71 8.253 8.253 8.721 -0.468 25536 8213 1 17 . 1 1 72 72 HIS N N 72 111.141 111.141 111.318 -0.177 25536 8214 1 17 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.429 -0.256 25536 8215 1 17 . 1 1 72 72 HIS C C 72 173.749 173.749 174.590 -0.841 25536 8216 1 17 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.316 0.943 25536 8217 1 17 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.367 1.705 25536 8218 1 17 . 1 1 72 72 HIS H H 72 7.412 7.412 7.709 -0.297 25536 8219 1 17 . 1 1 73 73 MET N N 73 119.350 119.350 121.451 -2.101 25536 8220 1 17 . 1 1 73 73 MET HA H 73 4.584 4.584 4.433 0.151 25536 8221 1 17 . 1 1 73 73 MET C C 73 174.311 174.311 173.959 0.352 25536 8222 1 17 . 1 1 73 73 MET CA C 73 53.186 53.186 53.948 -0.762 25536 8223 1 17 . 1 1 73 73 MET CB C 73 31.731 31.731 33.352 -1.621 25536 8224 1 17 . 1 1 73 73 MET H H 73 7.766 7.766 7.336 0.430 25536 8225 1 17 . 1 1 74 74 VAL N N 74 122.542 122.542 127.088 -4.546 25536 8226 1 17 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.344 -0.396 25536 8227 1 17 . 1 1 74 74 VAL C C 74 174.756 174.756 174.521 0.235 25536 8228 1 17 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.176 0.446 25536 8229 1 17 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.731 0.083 25536 8230 1 17 . 1 1 74 74 VAL H H 74 8.456 8.456 8.493 -0.037 25536 8231 1 17 . 1 1 75 75 TYR N N 75 125.680 125.680 125.262 0.418 25536 8232 1 17 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.082 -0.323 25536 8233 1 17 . 1 1 75 75 TYR C C 75 174.923 174.923 175.216 -0.293 25536 8234 1 17 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.264 0.548 25536 8235 1 17 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.204 0.645 25536 8236 1 17 . 1 1 75 75 TYR H H 75 8.213 8.213 9.048 -0.835 25536 8237 1 17 . 1 1 76 76 CYS N N 76 116.702 116.702 120.816 -4.114 25536 8238 1 17 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.483 0.256 25536 8239 1 17 . 1 1 76 76 CYS C C 76 174.231 174.231 175.172 -0.941 25536 8240 1 17 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.853 -2.750 25536 8241 1 17 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.020 2.677 25536 8242 1 17 . 1 1 76 76 CYS H H 76 8.307 8.307 8.890 -0.583 25536 8243 1 17 . 1 1 77 77 GLY N N 77 111.569 111.569 108.842 2.727 25536 8244 1 17 . 1 1 77 77 GLY C C 77 174.662 174.662 175.013 -0.351 25536 8245 1 17 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.243 0.906 25536 8246 1 17 . 1 1 77 77 GLY H H 77 8.484 8.484 8.003 0.481 25536 8247 1 17 . 1 1 78 78 GLY N N 78 113.022 113.022 113.110 -0.088 25536 8248 1 17 . 1 1 78 78 GLY C C 78 172.811 172.811 174.269 -1.458 25536 8249 1 17 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.922 0.838 25536 8250 1 17 . 1 1 78 78 GLY H H 78 8.889 8.889 8.590 0.299 25536 8251 1 17 . 1 1 79 79 ASP N N 79 119.431 119.431 120.329 -0.898 25536 8252 1 17 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.911 -0.023 25536 8253 1 17 . 1 1 79 79 ASP C C 79 176.302 176.302 175.533 0.769 25536 8254 1 17 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.572 -0.478 25536 8255 1 17 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.978 4.286 25536 8256 1 17 . 1 1 79 79 ASP H H 79 7.789 7.789 7.819 -0.029 25536 8257 1 17 . 1 1 80 80 LEU N N 80 128.421 128.421 124.704 3.717 25536 8258 1 17 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.208 -0.144 25536 8259 1 17 . 1 1 80 80 LEU C C 80 179.059 179.059 178.073 0.986 25536 8260 1 17 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.824 0.979 25536 8261 1 17 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.294 0.109 25536 8262 1 17 . 1 1 80 80 LEU H H 80 8.549 8.549 8.950 -0.401 25536 8263 1 17 . 1 1 81 81 LEU N N 81 118.633 118.633 119.711 -1.078 25536 8264 1 17 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.909 -0.042 25536 8265 1 17 . 1 1 81 81 LEU C C 81 178.542 178.542 178.015 0.527 25536 8266 1 17 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.855 0.916 25536 8267 1 17 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.227 1.422 25536 8268 1 17 . 1 1 81 81 LEU H H 81 9.973 9.973 7.639 2.334 25536 8269 1 17 . 1 1 82 82 GLY N N 82 105.564 105.564 105.505 0.059 25536 8270 1 17 . 1 1 82 82 GLY C C 82 176.907 176.907 175.765 1.142 25536 8271 1 17 . 1 1 82 82 GLY CA C 82 48.063 48.063 46.984 1.079 25536 8272 1 17 . 1 1 82 82 GLY H H 82 7.559 7.559 7.604 -0.045 25536 8273 1 17 . 1 1 83 83 GLU N N 83 121.706 121.706 122.604 -0.898 25536 8274 1 17 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.070 -0.088 25536 8275 1 17 . 1 1 83 83 GLU C C 83 179.215 179.215 178.779 0.436 25536 8276 1 17 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.806 0.355 25536 8277 1 17 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.556 -0.063 25536 8278 1 17 . 1 1 83 83 GLU H H 83 7.536 7.536 8.099 -0.563 25536 8279 1 17 . 1 1 84 84 LEU N N 84 118.455 118.455 120.904 -2.449 25536 8280 1 17 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.035 -0.011 25536 8281 1 17 . 1 1 84 84 LEU C C 84 178.842 178.842 178.793 0.049 25536 8282 1 17 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.387 0.088 25536 8283 1 17 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.038 0.449 25536 8284 1 17 . 1 1 84 84 LEU H H 84 7.701 7.701 8.106 -0.405 25536 8285 1 17 . 1 1 85 85 LEU N N 85 115.271 115.271 115.715 -0.444 25536 8286 1 17 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.988 -0.212 25536 8287 1 17 . 1 1 85 85 LEU C C 85 177.773 177.773 177.894 -0.121 25536 8288 1 17 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.112 0.263 25536 8289 1 17 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.425 1.468 25536 8290 1 17 . 1 1 85 85 LEU H H 85 8.117 8.117 8.020 0.097 25536 8291 1 17 . 1 1 86 86 GLY N N 86 107.216 107.216 104.915 2.301 25536 8292 1 17 . 1 1 86 86 GLY C C 86 174.090 174.090 173.843 0.247 25536 8293 1 17 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.182 1.133 25536 8294 1 17 . 1 1 86 86 GLY H H 86 7.983 7.983 8.045 -0.062 25536 8295 1 17 . 1 1 87 87 ARG N N 87 113.296 113.296 116.433 -3.137 25536 8296 1 17 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.663 -0.009 25536 8297 1 17 . 1 1 87 87 ARG C C 87 174.720 174.720 174.818 -0.098 25536 8298 1 17 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.991 0.288 25536 8299 1 17 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.753 2.642 25536 8300 1 17 . 1 1 87 87 ARG H H 87 7.411 7.411 7.589 -0.178 25536 8301 1 17 . 1 1 88 88 GLN N N 88 115.575 115.575 119.485 -3.910 25536 8302 1 17 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.284 -0.231 25536 8303 1 17 . 1 1 88 88 GLN C C 88 175.946 175.946 175.510 0.436 25536 8304 1 17 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.545 -0.133 25536 8305 1 17 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.412 0.378 25536 8306 1 17 . 1 1 88 88 GLN H H 88 8.653 8.653 8.821 -0.168 25536 8307 1 17 . 1 1 89 89 SER N N 89 110.451 110.451 110.862 -0.411 25536 8308 1 17 . 1 1 89 89 SER HA H 89 5.428 5.428 5.164 0.264 25536 8309 1 17 . 1 1 89 89 SER C C 89 173.062 173.062 172.981 0.081 25536 8310 1 17 . 1 1 89 89 SER CA C 89 57.011 57.011 56.322 0.689 25536 8311 1 17 . 1 1 89 89 SER CB C 89 66.560 66.560 65.913 0.647 25536 8312 1 17 . 1 1 89 89 SER H H 89 7.625 7.625 7.708 -0.083 25536 8313 1 17 . 1 1 90 90 PHE N N 90 115.159 115.159 117.628 -2.469 25536 8314 1 17 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.910 -0.225 25536 8315 1 17 . 1 1 90 90 PHE C C 90 170.337 170.337 172.416 -2.079 25536 8316 1 17 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.243 -0.045 25536 8317 1 17 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.595 -0.183 25536 8318 1 17 . 1 1 90 90 PHE H H 90 8.549 8.549 7.911 0.638 25536 8319 1 17 . 1 1 91 91 SER N N 91 113.637 113.637 113.909 -0.272 25536 8320 1 17 . 1 1 91 91 SER HA H 91 5.350 5.350 5.062 0.288 25536 8321 1 17 . 1 1 91 91 SER C C 91 178.100 178.100 176.138 1.962 25536 8322 1 17 . 1 1 91 91 SER CA C 91 54.748 54.748 54.819 -0.071 25536 8323 1 17 . 1 1 91 91 SER CB C 91 65.325 65.325 65.829 -0.504 25536 8324 1 17 . 1 1 91 91 SER H H 91 9.010 9.010 8.188 0.822 25536 8325 1 17 . 1 1 92 92 VAL N N 92 120.560 120.560 127.278 -6.718 25536 8326 1 17 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.834 0.074 25536 8327 1 17 . 1 1 92 92 VAL C C 92 175.704 175.704 176.621 -0.917 25536 8328 1 17 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.701 -1.701 25536 8329 1 17 . 1 1 92 92 VAL CB C 92 30.800 30.800 32.061 -1.261 25536 8330 1 17 . 1 1 92 92 VAL H H 92 8.948 8.948 9.085 -0.137 25536 8331 1 17 . 1 1 93 93 LYS N N 93 116.481 116.481 118.268 -1.787 25536 8332 1 17 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.335 -0.388 25536 8333 1 17 . 1 1 93 93 LYS C C 93 177.088 177.088 175.875 1.213 25536 8334 1 17 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.760 0.939 25536 8335 1 17 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.447 -1.189 25536 8336 1 17 . 1 1 93 93 LYS H H 93 8.086 8.086 7.752 0.334 25536 8337 1 17 . 1 1 94 94 ASP N N 94 114.885 114.885 119.233 -4.348 25536 8338 1 17 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.079 -0.137 25536 8339 1 17 . 1 1 94 94 ASP C C 94 173.021 173.021 174.743 -1.722 25536 8340 1 17 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.879 -0.290 25536 8341 1 17 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.986 -0.541 25536 8342 1 17 . 1 1 94 94 ASP H H 94 7.399 7.399 7.824 -0.425 25536 8343 1 17 . 1 1 95 95 PRO HA H 95 4.418 4.418 5.056 -0.638 25536 8344 1 17 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.318 0.329 25536 8345 1 17 . 1 1 95 95 PRO CB C 95 32.760 32.760 33.270 -0.510 25536 8346 1 17 . 1 1 96 96 SER N N 96 118.790 118.790 117.769 1.021 25536 8347 1 17 . 1 1 96 96 SER HA H 96 4.219 4.219 4.168 0.051 25536 8348 1 17 . 1 1 96 96 SER C C 96 173.615 173.615 173.940 -0.325 25536 8349 1 17 . 1 1 96 96 SER CA C 96 64.525 64.525 64.034 0.491 25536 8350 1 17 . 1 1 96 96 SER CB C 96 61.994 61.994 61.014 0.980 25536 8351 1 17 . 1 1 96 96 SER H H 96 8.052 8.052 8.767 -0.715 25536 8352 1 17 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.411 -0.064 25536 8353 1 17 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.135 0.881 25536 8354 1 17 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.331 0.281 25536 8355 1 17 . 1 1 98 98 LEU N N 98 117.938 117.938 119.178 -1.240 25536 8356 1 17 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.846 -0.250 25536 8357 1 17 . 1 1 98 98 LEU C C 98 178.196 178.196 178.085 0.111 25536 8358 1 17 . 1 1 98 98 LEU CA C 98 57.284 57.284 58.296 -1.012 25536 8359 1 17 . 1 1 98 98 LEU CB C 98 41.409 41.409 40.712 0.697 25536 8360 1 17 . 1 1 98 98 LEU H H 98 7.076 7.076 8.057 -0.981 25536 8361 1 17 . 1 1 99 99 TYR N N 99 117.957 117.957 118.634 -0.677 25536 8362 1 17 . 1 1 99 99 TYR HA H 99 4.150 4.150 3.975 0.175 25536 8363 1 17 . 1 1 99 99 TYR C C 99 178.767 178.767 178.145 0.622 25536 8364 1 17 . 1 1 99 99 TYR CA C 99 61.223 61.223 62.490 -1.267 25536 8365 1 17 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.683 -0.645 25536 8366 1 17 . 1 1 99 99 TYR H H 99 7.547 7.547 7.545 0.002 25536 8367 1 17 . 1 1 100 100 ASP N N 100 119.536 119.536 119.587 -0.051 25536 8368 1 17 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.368 -0.042 25536 8369 1 17 . 1 1 100 100 ASP C C 100 177.737 177.737 178.087 -0.350 25536 8370 1 17 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.257 0.618 25536 8371 1 17 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.861 0.280 25536 8372 1 17 . 1 1 100 100 ASP H H 100 8.292 8.292 8.235 0.057 25536 8373 1 17 . 1 1 101 101 MET N N 101 118.757 118.757 117.841 0.916 25536 8374 1 17 . 1 1 101 101 MET HA H 101 3.964 3.964 4.260 -0.296 25536 8375 1 17 . 1 1 101 101 MET C C 101 180.006 180.006 177.676 2.330 25536 8376 1 17 . 1 1 101 101 MET CA C 101 59.710 59.710 57.769 1.941 25536 8377 1 17 . 1 1 101 101 MET CB C 101 31.642 31.642 31.965 -0.323 25536 8378 1 17 . 1 1 101 101 MET H H 101 7.226 7.226 7.764 -0.538 25536 8379 1 17 . 1 1 102 102 LEU N N 102 121.624 121.624 120.334 1.290 25536 8380 1 17 . 1 1 102 102 LEU HA H 102 3.696 3.696 3.928 -0.232 25536 8381 1 17 . 1 1 102 102 LEU C C 102 178.566 178.566 179.162 -0.596 25536 8382 1 17 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.339 1.588 25536 8383 1 17 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.011 0.474 25536 8384 1 17 . 1 1 102 102 LEU H H 102 8.472 8.472 7.862 0.610 25536 8385 1 17 . 1 1 103 103 ARG N N 103 117.111 117.111 118.286 -1.175 25536 8386 1 17 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.001 -0.031 25536 8387 1 17 . 1 1 103 103 ARG C C 103 178.818 178.818 177.908 0.910 25536 8388 1 17 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.397 0.106 25536 8389 1 17 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.357 -0.062 25536 8390 1 17 . 1 1 103 103 ARG H H 103 7.932 7.932 8.321 -0.389 25536 8391 1 17 . 1 1 104 104 LYS N N 104 114.172 114.172 113.658 0.514 25536 8392 1 17 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.476 -0.254 25536 8393 1 17 . 1 1 104 104 LYS C C 104 177.556 177.556 177.171 0.385 25536 8394 1 17 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.412 1.548 25536 8395 1 17 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.207 2.020 25536 8396 1 17 . 1 1 104 104 LYS H H 104 7.157 7.157 7.665 -0.508 25536 8397 1 17 . 1 1 105 105 ASN N N 105 114.145 114.145 116.873 -2.728 25536 8398 1 17 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.810 -0.079 25536 8399 1 17 . 1 1 105 105 ASN C C 105 172.822 172.822 174.387 -1.565 25536 8400 1 17 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.667 0.176 25536 8401 1 17 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.848 1.797 25536 8402 1 17 . 1 1 105 105 ASN H H 105 7.665 7.665 7.850 -0.185 25536 8403 1 17 . 1 1 106 106 LEU N N 106 118.600 118.600 120.023 -1.423 25536 8404 1 17 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.748 -0.077 25536 8405 1 17 . 1 1 106 106 LEU C C 106 175.658 175.658 175.066 0.592 25536 8406 1 17 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.448 -0.290 25536 8407 1 17 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.578 -1.013 25536 8408 1 17 . 1 1 106 106 LEU H H 106 7.439 7.439 7.921 -0.482 25536 8409 1 17 . 1 1 107 107 VAL N N 107 122.739 122.739 125.444 -2.705 25536 8410 1 17 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.335 -0.127 25536 8411 1 17 . 1 1 107 107 VAL C C 107 176.054 176.054 175.834 0.220 25536 8412 1 17 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.253 0.963 25536 8413 1 17 . 1 1 107 107 VAL CB C 107 33.580 33.580 34.128 -0.548 25536 8414 1 17 . 1 1 107 107 VAL H H 107 8.182 8.182 8.221 -0.039 25536 8415 1 17 . 1 1 108 108 THR N N 108 120.854 120.854 119.655 1.199 25536 8416 1 17 . 1 1 108 108 THR HA H 108 4.336 4.336 4.452 -0.116 25536 8417 1 17 . 1 1 108 108 THR C C 108 174.216 174.216 175.456 -1.240 25536 8418 1 17 . 1 1 108 108 THR CA C 108 62.726 62.726 60.651 2.075 25536 8419 1 17 . 1 1 108 108 THR CB C 108 70.080 70.080 69.686 0.394 25536 8420 1 17 . 1 1 108 108 THR H H 108 8.524 8.524 8.059 0.465 25536 8421 1 17 . 1 1 109 109 LEU N N 109 125.529 125.529 124.752 0.777 25536 8422 1 17 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.405 -0.053 25536 8423 1 17 . 1 1 109 109 LEU C C 109 176.523 176.523 176.877 -0.354 25536 8424 1 17 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.528 -0.481 25536 8425 1 17 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.355 0.235 25536 8426 1 17 . 1 1 109 109 LEU H H 109 8.313 8.313 8.547 -0.234 25536 8427 1 17 . 1 1 110 110 ALA N N 110 125.099 125.099 122.512 2.587 25536 8428 1 17 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.296 0.070 25536 8429 1 17 . 1 1 110 110 ALA C C 110 176.847 176.847 176.356 0.491 25536 8430 1 17 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.872 -0.244 25536 8431 1 17 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.589 0.117 25536 8432 1 17 . 1 1 110 110 ALA H H 110 8.257 8.257 7.498 0.759 25536 8433 1 18 . 1 1 24 24 ILE N N 24 120.668 120.668 120.088 0.580 25536 8434 1 18 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.446 0.701 25536 8435 1 18 . 1 1 24 24 ILE C C 24 175.650 175.650 175.491 0.159 25536 8436 1 18 . 1 1 24 24 ILE CA C 24 61.342 61.342 63.639 -2.297 25536 8437 1 18 . 1 1 24 24 ILE CB C 24 39.067 39.067 37.347 1.720 25536 8438 1 18 . 1 1 24 24 ILE H H 24 8.119 8.119 8.367 -0.248 25536 8439 1 18 . 1 1 25 25 ASN N N 25 122.032 122.032 116.260 5.772 25536 8440 1 18 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.246 0.458 25536 8441 1 18 . 1 1 25 25 ASN C C 25 174.775 174.775 174.005 0.770 25536 8442 1 18 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.842 -0.112 25536 8443 1 18 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.913 1.493 25536 8444 1 18 . 1 1 25 25 ASN H H 25 8.446 8.446 8.314 0.132 25536 8445 1 18 . 1 1 26 26 GLN N N 26 118.655 118.655 116.432 2.223 25536 8446 1 18 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.841 -0.254 25536 8447 1 18 . 1 1 26 26 GLN C C 26 175.291 175.291 174.746 0.545 25536 8448 1 18 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.427 1.275 25536 8449 1 18 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.203 0.055 25536 8450 1 18 . 1 1 26 26 GLN H H 26 8.215 8.215 7.959 0.256 25536 8451 1 18 . 1 1 27 27 VAL N N 27 113.749 113.749 114.728 -0.979 25536 8452 1 18 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.440 0.427 25536 8453 1 18 . 1 1 27 27 VAL C C 27 173.900 173.900 174.217 -0.317 25536 8454 1 18 . 1 1 27 27 VAL CA C 27 59.116 59.116 59.744 -0.628 25536 8455 1 18 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.700 2.404 25536 8456 1 18 . 1 1 27 27 VAL H H 27 9.417 9.417 8.306 1.111 25536 8457 1 18 . 1 1 28 28 ARG N N 28 121.515 121.515 123.149 -1.634 25536 8458 1 18 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.266 0.191 25536 8459 1 18 . 1 1 28 28 ARG C C 28 175.090 175.090 174.819 0.271 25536 8460 1 18 . 1 1 28 28 ARG CA C 28 52.571 52.571 52.828 -0.257 25536 8461 1 18 . 1 1 28 28 ARG CB C 28 33.674 33.674 32.173 1.501 25536 8462 1 18 . 1 1 28 28 ARG H H 28 8.901 8.901 8.596 0.305 25536 8463 1 18 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.584 0.411 25536 8464 1 18 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.325 -0.273 25536 8465 1 18 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.836 -0.575 25536 8466 1 18 . 1 1 30 30 LYS N N 30 121.291 121.291 119.833 1.458 25536 8467 1 18 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.145 0.056 25536 8468 1 18 . 1 1 30 30 LYS C C 30 177.557 177.557 178.509 -0.952 25536 8469 1 18 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.170 1.552 25536 8470 1 18 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.656 0.339 25536 8471 1 18 . 1 1 30 30 LYS H H 30 8.476 8.476 8.353 0.123 25536 8472 1 18 . 1 1 31 31 LEU N N 31 121.578 121.578 123.307 -1.729 25536 8473 1 18 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.067 -0.012 25536 8474 1 18 . 1 1 31 31 LEU C C 31 174.261 174.261 176.833 -2.572 25536 8475 1 18 . 1 1 31 31 LEU CA C 31 60.196 60.196 60.180 0.016 25536 8476 1 18 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.291 0.559 25536 8477 1 18 . 1 1 31 31 LEU H H 31 8.584 8.584 8.875 -0.291 25536 8478 1 18 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.175 -0.042 25536 8479 1 18 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.851 0.727 25536 8480 1 18 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.164 0.313 25536 8481 1 18 . 1 1 33 33 LEU N N 33 113.190 113.190 119.385 -6.195 25536 8482 1 18 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.085 -0.110 25536 8483 1 18 . 1 1 33 33 LEU C C 33 177.726 177.726 178.487 -0.761 25536 8484 1 18 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.298 -1.158 25536 8485 1 18 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.545 0.302 25536 8486 1 18 . 1 1 33 33 LEU H H 33 6.605 6.605 7.415 -0.810 25536 8487 1 18 . 1 1 34 34 LEU N N 34 121.683 121.683 120.500 1.183 25536 8488 1 18 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.816 -0.434 25536 8489 1 18 . 1 1 34 34 LEU C C 34 177.321 177.321 178.152 -0.831 25536 8490 1 18 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.949 0.288 25536 8491 1 18 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.306 0.605 25536 8492 1 18 . 1 1 34 34 LEU H H 34 8.399 8.399 8.522 -0.123 25536 8493 1 18 . 1 1 35 35 LYS N N 35 114.524 114.524 119.522 -4.998 25536 8494 1 18 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.003 -0.210 25536 8495 1 18 . 1 1 35 35 LYS C C 35 180.207 180.207 178.952 1.255 25536 8496 1 18 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.572 0.499 25536 8497 1 18 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.968 0.501 25536 8498 1 18 . 1 1 35 35 LYS H H 35 7.940 7.940 8.235 -0.295 25536 8499 1 18 . 1 1 36 36 ILE N N 36 119.857 119.857 120.107 -0.250 25536 8500 1 18 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.651 -0.347 25536 8501 1 18 . 1 1 36 36 ILE C C 36 176.418 176.418 178.127 -1.709 25536 8502 1 18 . 1 1 36 36 ILE CA C 36 64.480 64.480 65.120 -0.640 25536 8503 1 18 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.680 -0.076 25536 8504 1 18 . 1 1 36 36 ILE H H 36 6.742 6.742 7.440 -0.698 25536 8505 1 18 . 1 1 37 37 LEU N N 37 116.695 116.695 119.501 -2.806 25536 8506 1 18 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.885 -0.363 25536 8507 1 18 . 1 1 37 37 LEU C C 37 180.263 180.263 179.387 0.876 25536 8508 1 18 . 1 1 37 37 LEU CA C 37 58.280 58.280 57.690 0.590 25536 8509 1 18 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.594 -1.456 25536 8510 1 18 . 1 1 37 37 LEU H H 37 7.595 7.595 7.584 0.011 25536 8511 1 18 . 1 1 38 38 HIS N N 38 117.829 117.829 117.482 0.347 25536 8512 1 18 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.194 0.488 25536 8513 1 18 . 1 1 38 38 HIS C C 38 180.133 180.133 178.170 1.963 25536 8514 1 18 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.407 -1.116 25536 8515 1 18 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.215 1.196 25536 8516 1 18 . 1 1 38 38 HIS H H 38 8.955 8.955 8.516 0.439 25536 8517 1 18 . 1 1 39 39 ALA N N 39 124.006 124.006 122.026 1.980 25536 8518 1 18 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.213 0.033 25536 8519 1 18 . 1 1 39 39 ALA C C 39 178.835 178.835 178.559 0.276 25536 8520 1 18 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.544 0.541 25536 8521 1 18 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.429 -0.318 25536 8522 1 18 . 1 1 39 39 ALA H H 39 7.945 7.945 8.395 -0.450 25536 8523 1 18 . 1 1 40 40 ALA N N 40 118.201 118.201 119.312 -1.111 25536 8524 1 18 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.341 0.080 25536 8525 1 18 . 1 1 40 40 ALA C C 40 176.261 176.261 177.473 -1.212 25536 8526 1 18 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.404 -0.268 25536 8527 1 18 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.267 0.845 25536 8528 1 18 . 1 1 40 40 ALA H H 40 7.665 7.665 7.614 0.051 25536 8529 1 18 . 1 1 41 41 GLY N N 41 103.920 103.920 106.934 -3.014 25536 8530 1 18 . 1 1 41 41 GLY C C 41 174.412 174.412 173.502 0.910 25536 8531 1 18 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.703 0.264 25536 8532 1 18 . 1 1 41 41 GLY H H 41 7.683 7.683 7.674 0.009 25536 8533 1 18 . 1 1 42 42 ALA N N 42 123.582 123.582 121.974 1.608 25536 8534 1 18 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.481 0.154 25536 8535 1 18 . 1 1 42 42 ALA C C 42 175.772 175.772 176.907 -1.135 25536 8536 1 18 . 1 1 42 42 ALA CA C 42 52.680 52.680 50.669 2.011 25536 8537 1 18 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.516 -0.160 25536 8538 1 18 . 1 1 42 42 ALA H H 42 7.578 7.578 7.708 -0.130 25536 8539 1 18 . 1 1 43 43 GLN N N 43 116.996 116.996 120.846 -3.850 25536 8540 1 18 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.500 -0.151 25536 8541 1 18 . 1 1 43 43 GLN C C 43 175.528 175.528 175.367 0.161 25536 8542 1 18 . 1 1 43 43 GLN CA C 43 54.651 54.651 54.459 0.192 25536 8543 1 18 . 1 1 43 43 GLN CB C 43 32.414 32.414 28.978 3.436 25536 8544 1 18 . 1 1 43 43 GLN H H 43 8.481 8.481 8.599 -0.118 25536 8545 1 18 . 1 1 44 44 GLY N N 44 108.128 108.128 106.598 1.530 25536 8546 1 18 . 1 1 44 44 GLY C C 44 173.892 173.892 172.957 0.935 25536 8547 1 18 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.333 -0.635 25536 8548 1 18 . 1 1 44 44 GLY H H 44 8.510 8.510 7.814 0.696 25536 8549 1 18 . 1 1 45 45 GLU N N 45 114.113 114.113 119.654 -5.541 25536 8550 1 18 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.468 0.140 25536 8551 1 18 . 1 1 45 45 GLU C C 45 174.007 174.007 174.674 -0.667 25536 8552 1 18 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.748 1.081 25536 8553 1 18 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.232 1.819 25536 8554 1 18 . 1 1 45 45 GLU H H 45 8.245 8.245 8.292 -0.047 25536 8555 1 18 . 1 1 46 46 MET N N 46 115.322 115.322 117.911 -2.589 25536 8556 1 18 . 1 1 46 46 MET HA H 46 5.051 5.051 4.306 0.745 25536 8557 1 18 . 1 1 46 46 MET C C 46 174.637 174.637 174.315 0.322 25536 8558 1 18 . 1 1 46 46 MET CA C 46 54.264 54.264 54.202 0.062 25536 8559 1 18 . 1 1 46 46 MET CB C 46 35.854 35.854 34.121 1.732 25536 8560 1 18 . 1 1 46 46 MET H H 46 6.872 6.872 7.046 -0.174 25536 8561 1 18 . 1 1 47 47 PHE N N 47 119.008 119.008 119.403 -0.395 25536 8562 1 18 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.270 -0.176 25536 8563 1 18 . 1 1 47 47 PHE C C 47 175.742 175.742 175.489 0.253 25536 8564 1 18 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.746 1.591 25536 8565 1 18 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.169 5.743 25536 8566 1 18 . 1 1 47 47 PHE H H 47 8.623 8.623 8.889 -0.266 25536 8567 1 18 . 1 1 48 48 THR N N 48 110.544 110.544 112.519 -1.975 25536 8568 1 18 . 1 1 48 48 THR HA H 48 4.990 4.990 4.728 0.263 25536 8569 1 18 . 1 1 48 48 THR C C 48 176.666 176.666 176.213 0.453 25536 8570 1 18 . 1 1 48 48 THR CA C 48 61.095 61.095 60.565 0.530 25536 8571 1 18 . 1 1 48 48 THR CB C 48 71.136 71.136 70.789 0.347 25536 8572 1 18 . 1 1 48 48 THR H H 48 9.108 9.108 8.867 0.241 25536 8573 1 18 . 1 1 49 49 VAL N N 49 121.588 121.588 121.760 -0.172 25536 8574 1 18 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.537 -0.156 25536 8575 1 18 . 1 1 49 49 VAL C C 49 177.726 177.726 177.432 0.294 25536 8576 1 18 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.208 1.033 25536 8577 1 18 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.380 0.175 25536 8578 1 18 . 1 1 49 49 VAL H H 49 9.044 9.044 8.961 0.083 25536 8579 1 18 . 1 1 50 50 LYS N N 50 118.341 118.341 116.706 1.635 25536 8580 1 18 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.025 -0.066 25536 8581 1 18 . 1 1 50 50 LYS C C 50 180.060 180.060 178.094 1.966 25536 8582 1 18 . 1 1 50 50 LYS CA C 50 60.356 60.356 58.793 1.563 25536 8583 1 18 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.563 1.276 25536 8584 1 18 . 1 1 50 50 LYS H H 50 8.132 8.132 8.206 -0.074 25536 8585 1 18 . 1 1 51 51 GLU N N 51 119.521 119.521 120.058 -0.537 25536 8586 1 18 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.946 0.100 25536 8587 1 18 . 1 1 51 51 GLU C C 51 178.583 178.583 178.487 0.096 25536 8588 1 18 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.966 0.937 25536 8589 1 18 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.242 1.214 25536 8590 1 18 . 1 1 51 51 GLU H H 51 7.877 7.877 7.651 0.226 25536 8591 1 18 . 1 1 52 52 VAL N N 52 119.044 119.044 117.765 1.279 25536 8592 1 18 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.531 -0.281 25536 8593 1 18 . 1 1 52 52 VAL C C 52 177.546 177.546 177.918 -0.372 25536 8594 1 18 . 1 1 52 52 VAL CA C 52 67.901 67.901 66.074 1.827 25536 8595 1 18 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.620 -0.243 25536 8596 1 18 . 1 1 52 52 VAL H H 52 8.245 8.245 8.391 -0.146 25536 8597 1 18 . 1 1 53 53 MET N N 53 114.669 114.669 116.870 -2.201 25536 8598 1 18 . 1 1 53 53 MET HA H 53 4.198 4.198 4.064 0.134 25536 8599 1 18 . 1 1 53 53 MET C C 53 178.699 178.699 177.225 1.474 25536 8600 1 18 . 1 1 53 53 MET CA C 53 57.748 57.748 58.450 -0.702 25536 8601 1 18 . 1 1 53 53 MET CB C 53 32.680 32.680 31.876 0.804 25536 8602 1 18 . 1 1 53 53 MET H H 53 8.188 8.188 8.237 -0.049 25536 8603 1 18 . 1 1 54 54 HIS N N 54 118.909 118.909 121.074 -2.165 25536 8604 1 18 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.139 -0.022 25536 8605 1 18 . 1 1 54 54 HIS C C 54 178.675 178.675 177.029 1.646 25536 8606 1 18 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.592 -0.320 25536 8607 1 18 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.822 0.775 25536 8608 1 18 . 1 1 54 54 HIS H H 54 8.091 8.091 7.483 0.608 25536 8609 1 18 . 1 1 55 55 TYR N N 55 116.769 116.769 117.812 -1.043 25536 8610 1 18 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.201 -0.349 25536 8611 1 18 . 1 1 55 55 TYR C C 55 177.794 177.794 178.006 -0.212 25536 8612 1 18 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.828 2.889 25536 8613 1 18 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.241 1.888 25536 8614 1 18 . 1 1 55 55 TYR H H 55 8.468 8.468 7.504 0.964 25536 8615 1 18 . 1 1 56 56 LEU N N 56 120.819 120.819 120.843 -0.024 25536 8616 1 18 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.878 -0.069 25536 8617 1 18 . 1 1 56 56 LEU C C 56 178.484 178.484 179.237 -0.753 25536 8618 1 18 . 1 1 56 56 LEU CA C 56 58.622 58.622 58.661 -0.039 25536 8619 1 18 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.178 1.403 25536 8620 1 18 . 1 1 56 56 LEU H H 56 8.455 8.455 7.797 0.658 25536 8621 1 18 . 1 1 57 57 GLY N N 57 104.896 104.896 106.325 -1.429 25536 8622 1 18 . 1 1 57 57 GLY C C 57 175.647 175.647 175.742 -0.095 25536 8623 1 18 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.264 -0.026 25536 8624 1 18 . 1 1 57 57 GLY H H 57 7.691 7.691 8.286 -0.595 25536 8625 1 18 . 1 1 58 58 GLN N N 58 119.080 119.080 121.960 -2.880 25536 8626 1 18 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.979 -0.167 25536 8627 1 18 . 1 1 58 58 GLN C C 58 177.429 177.429 177.725 -0.296 25536 8628 1 18 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.475 0.203 25536 8629 1 18 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.384 0.490 25536 8630 1 18 . 1 1 58 58 GLN H H 58 7.704 7.704 8.066 -0.362 25536 8631 1 18 . 1 1 59 59 TYR N N 59 120.995 120.995 122.513 -1.518 25536 8632 1 18 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.222 -0.418 25536 8633 1 18 . 1 1 59 59 TYR C C 59 176.215 176.215 177.405 -1.190 25536 8634 1 18 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.102 0.463 25536 8635 1 18 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.657 -0.038 25536 8636 1 18 . 1 1 59 59 TYR H H 59 8.500 8.500 8.207 0.293 25536 8637 1 18 . 1 1 60 60 ILE N N 60 116.532 116.532 119.364 -2.832 25536 8638 1 18 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.708 -0.405 25536 8639 1 18 . 1 1 60 60 ILE C C 60 177.952 177.952 178.364 -0.412 25536 8640 1 18 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.945 -0.398 25536 8641 1 18 . 1 1 60 60 ILE CB C 60 38.431 38.431 37.977 0.454 25536 8642 1 18 . 1 1 60 60 ILE H H 60 7.585 7.585 8.668 -1.083 25536 8643 1 18 . 1 1 61 61 MET N N 61 115.556 115.556 119.640 -4.084 25536 8644 1 18 . 1 1 61 61 MET HA H 61 4.547 4.547 4.309 0.238 25536 8645 1 18 . 1 1 61 61 MET C C 61 180.579 180.579 178.161 2.418 25536 8646 1 18 . 1 1 61 61 MET CA C 61 57.563 57.563 58.428 -0.865 25536 8647 1 18 . 1 1 61 61 MET CB C 61 31.473 31.473 32.052 -0.579 25536 8648 1 18 . 1 1 61 61 MET H H 61 7.707 7.707 8.147 -0.440 25536 8649 1 18 . 1 1 62 62 VAL N N 62 120.872 120.872 118.094 2.778 25536 8650 1 18 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.865 -0.037 25536 8651 1 18 . 1 1 62 62 VAL C C 62 178.786 178.786 177.804 0.982 25536 8652 1 18 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.599 1.513 25536 8653 1 18 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.097 -0.106 25536 8654 1 18 . 1 1 62 62 VAL H H 62 9.009 9.009 8.292 0.717 25536 8655 1 18 . 1 1 63 63 LYS N N 63 116.652 116.652 117.747 -1.095 25536 8656 1 18 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.153 -0.096 25536 8657 1 18 . 1 1 63 63 LYS C C 63 174.784 174.784 175.943 -1.159 25536 8658 1 18 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.820 0.263 25536 8659 1 18 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.317 -0.856 25536 8660 1 18 . 1 1 63 63 LYS H H 63 7.812 7.812 8.175 -0.363 25536 8661 1 18 . 1 1 64 64 GLN N N 64 115.445 115.445 115.069 0.376 25536 8662 1 18 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.976 -0.370 25536 8663 1 18 . 1 1 64 64 GLN C C 64 175.550 175.550 175.119 0.431 25536 8664 1 18 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.386 0.593 25536 8665 1 18 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.319 0.929 25536 8666 1 18 . 1 1 64 64 GLN H H 64 7.642 7.642 7.957 -0.315 25536 8667 1 18 . 1 1 65 65 LEU N N 65 115.724 115.724 118.567 -2.843 25536 8668 1 18 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.486 -0.029 25536 8669 1 18 . 1 1 65 65 LEU C C 65 175.979 175.979 175.609 0.370 25536 8670 1 18 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.387 0.267 25536 8671 1 18 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.719 0.230 25536 8672 1 18 . 1 1 65 65 LEU H H 65 8.097 8.097 7.697 0.400 25536 8673 1 18 . 1 1 66 66 TYR N N 66 112.953 112.953 114.438 -1.485 25536 8674 1 18 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.373 -0.082 25536 8675 1 18 . 1 1 66 66 TYR C C 66 173.941 173.941 174.210 -0.269 25536 8676 1 18 . 1 1 66 66 TYR CA C 66 54.629 54.629 54.112 0.517 25536 8677 1 18 . 1 1 66 66 TYR CB C 66 39.748 39.748 41.075 -1.327 25536 8678 1 18 . 1 1 66 66 TYR H H 66 6.856 6.856 6.952 -0.096 25536 8679 1 18 . 1 1 67 67 ASP N N 67 122.196 122.196 120.845 1.351 25536 8680 1 18 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.855 -0.417 25536 8681 1 18 . 1 1 67 67 ASP C C 67 176.779 176.779 177.641 -0.862 25536 8682 1 18 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.135 0.845 25536 8683 1 18 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.936 -0.404 25536 8684 1 18 . 1 1 67 67 ASP H H 67 8.324 8.324 8.602 -0.278 25536 8685 1 18 . 1 1 68 68 GLN N N 68 123.042 123.042 122.332 0.710 25536 8686 1 18 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.227 -0.341 25536 8687 1 18 . 1 1 68 68 GLN C C 68 177.122 177.122 177.255 -0.133 25536 8688 1 18 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.735 0.296 25536 8689 1 18 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.897 0.190 25536 8690 1 18 . 1 1 68 68 GLN H H 68 8.563 8.563 8.723 -0.160 25536 8691 1 18 . 1 1 69 69 GLN N N 69 115.263 115.263 117.959 -2.696 25536 8692 1 18 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.214 0.143 25536 8693 1 18 . 1 1 69 69 GLN C C 69 176.272 176.272 175.898 0.374 25536 8694 1 18 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.259 -0.130 25536 8695 1 18 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.602 0.522 25536 8696 1 18 . 1 1 69 69 GLN H H 69 8.356 8.356 7.851 0.505 25536 8697 1 18 . 1 1 70 70 GLU N N 70 122.549 122.549 117.647 4.902 25536 8698 1 18 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.534 -0.015 25536 8699 1 18 . 1 1 70 70 GLU C C 70 175.953 175.953 176.251 -0.298 25536 8700 1 18 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.920 -0.963 25536 8701 1 18 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.761 -0.201 25536 8702 1 18 . 1 1 70 70 GLU H H 70 8.227 8.227 8.246 -0.019 25536 8703 1 18 . 1 1 71 71 GLN N N 71 118.815 118.815 125.394 -6.579 25536 8704 1 18 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.328 0.224 25536 8705 1 18 . 1 1 71 71 GLN C C 71 174.842 174.842 176.402 -1.560 25536 8706 1 18 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.211 1.486 25536 8707 1 18 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.222 -0.292 25536 8708 1 18 . 1 1 71 71 GLN H H 71 8.253 8.253 8.911 -0.658 25536 8709 1 18 . 1 1 72 72 HIS N N 72 111.141 111.141 115.014 -3.873 25536 8710 1 18 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.263 -0.090 25536 8711 1 18 . 1 1 72 72 HIS C C 72 173.749 173.749 175.717 -1.968 25536 8712 1 18 . 1 1 72 72 HIS CA C 72 56.259 56.259 57.127 -0.868 25536 8713 1 18 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.233 1.839 25536 8714 1 18 . 1 1 72 72 HIS H H 72 7.412 7.412 8.366 -0.954 25536 8715 1 18 . 1 1 73 73 MET N N 73 119.350 119.350 120.861 -1.511 25536 8716 1 18 . 1 1 73 73 MET HA H 73 4.584 4.584 4.386 0.198 25536 8717 1 18 . 1 1 73 73 MET C C 73 174.311 174.311 174.342 -0.031 25536 8718 1 18 . 1 1 73 73 MET CA C 73 53.186 53.186 54.508 -1.322 25536 8719 1 18 . 1 1 73 73 MET CB C 73 31.731 31.731 32.820 -1.089 25536 8720 1 18 . 1 1 73 73 MET H H 73 7.766 7.766 7.765 0.001 25536 8721 1 18 . 1 1 74 74 VAL N N 74 122.542 122.542 126.967 -4.425 25536 8722 1 18 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.470 -0.522 25536 8723 1 18 . 1 1 74 74 VAL C C 74 174.756 174.756 174.340 0.416 25536 8724 1 18 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.893 0.729 25536 8725 1 18 . 1 1 74 74 VAL CB C 74 32.814 32.814 33.109 -0.296 25536 8726 1 18 . 1 1 74 74 VAL H H 74 8.456 8.456 8.402 0.054 25536 8727 1 18 . 1 1 75 75 TYR N N 75 125.680 125.680 125.062 0.618 25536 8728 1 18 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.212 -0.453 25536 8729 1 18 . 1 1 75 75 TYR C C 75 174.923 174.923 175.362 -0.439 25536 8730 1 18 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.975 0.837 25536 8731 1 18 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.582 0.267 25536 8732 1 18 . 1 1 75 75 TYR H H 75 8.213 8.213 9.090 -0.877 25536 8733 1 18 . 1 1 76 76 CYS N N 76 116.702 116.702 120.630 -3.928 25536 8734 1 18 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.605 0.134 25536 8735 1 18 . 1 1 76 76 CYS C C 76 174.231 174.231 175.484 -1.253 25536 8736 1 18 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.780 -2.677 25536 8737 1 18 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.394 2.303 25536 8738 1 18 . 1 1 76 76 CYS H H 76 8.307 8.307 8.672 -0.365 25536 8739 1 18 . 1 1 77 77 GLY N N 77 111.569 111.569 109.178 2.391 25536 8740 1 18 . 1 1 77 77 GLY C C 77 174.662 174.662 175.105 -0.443 25536 8741 1 18 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.967 0.182 25536 8742 1 18 . 1 1 77 77 GLY H H 77 8.484 8.484 7.870 0.614 25536 8743 1 18 . 1 1 78 78 GLY N N 78 113.022 113.022 112.952 0.070 25536 8744 1 18 . 1 1 78 78 GLY C C 78 172.811 172.811 174.168 -1.357 25536 8745 1 18 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.850 0.910 25536 8746 1 18 . 1 1 78 78 GLY H H 78 8.889 8.889 8.472 0.417 25536 8747 1 18 . 1 1 79 79 ASP N N 79 119.431 119.431 120.492 -1.061 25536 8748 1 18 . 1 1 79 79 ASP HA H 79 4.888 4.888 5.199 -0.311 25536 8749 1 18 . 1 1 79 79 ASP C C 79 176.302 176.302 176.196 0.106 25536 8750 1 18 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.114 -0.021 25536 8751 1 18 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.698 4.566 25536 8752 1 18 . 1 1 79 79 ASP H H 79 7.789 7.789 7.888 -0.099 25536 8753 1 18 . 1 1 80 80 LEU N N 80 128.421 128.421 123.722 4.699 25536 8754 1 18 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.215 -0.151 25536 8755 1 18 . 1 1 80 80 LEU C C 80 179.059 179.059 178.249 0.810 25536 8756 1 18 . 1 1 80 80 LEU CA C 80 58.803 58.803 58.019 0.784 25536 8757 1 18 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.008 0.395 25536 8758 1 18 . 1 1 80 80 LEU H H 80 8.549 8.549 8.964 -0.415 25536 8759 1 18 . 1 1 81 81 LEU N N 81 118.633 118.633 119.278 -0.645 25536 8760 1 18 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.979 -0.112 25536 8761 1 18 . 1 1 81 81 LEU C C 81 178.542 178.542 178.115 0.427 25536 8762 1 18 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.827 0.944 25536 8763 1 18 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.213 1.436 25536 8764 1 18 . 1 1 81 81 LEU H H 81 9.973 9.973 7.657 2.316 25536 8765 1 18 . 1 1 82 82 GLY N N 82 105.564 105.564 105.890 -0.326 25536 8766 1 18 . 1 1 82 82 GLY C C 82 176.907 176.907 175.679 1.228 25536 8767 1 18 . 1 1 82 82 GLY CA C 82 48.063 48.063 46.971 1.092 25536 8768 1 18 . 1 1 82 82 GLY H H 82 7.559 7.559 7.783 -0.224 25536 8769 1 18 . 1 1 83 83 GLU N N 83 121.706 121.706 122.685 -0.979 25536 8770 1 18 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.083 -0.101 25536 8771 1 18 . 1 1 83 83 GLU C C 83 179.215 179.215 178.769 0.446 25536 8772 1 18 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.860 0.301 25536 8773 1 18 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.578 -0.085 25536 8774 1 18 . 1 1 83 83 GLU H H 83 7.536 7.536 8.114 -0.578 25536 8775 1 18 . 1 1 84 84 LEU N N 84 118.455 118.455 120.716 -2.261 25536 8776 1 18 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.055 -0.031 25536 8777 1 18 . 1 1 84 84 LEU C C 84 178.842 178.842 178.270 0.572 25536 8778 1 18 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.289 0.186 25536 8779 1 18 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.035 0.452 25536 8780 1 18 . 1 1 84 84 LEU H H 84 7.701 7.701 8.102 -0.401 25536 8781 1 18 . 1 1 85 85 LEU N N 85 115.271 115.271 115.376 -0.105 25536 8782 1 18 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.977 -0.201 25536 8783 1 18 . 1 1 85 85 LEU C C 85 177.773 177.773 177.936 -0.163 25536 8784 1 18 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.217 0.158 25536 8785 1 18 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.572 1.321 25536 8786 1 18 . 1 1 85 85 LEU H H 85 8.117 8.117 7.934 0.183 25536 8787 1 18 . 1 1 86 86 GLY N N 86 107.216 107.216 104.905 2.311 25536 8788 1 18 . 1 1 86 86 GLY C C 86 174.090 174.090 173.814 0.276 25536 8789 1 18 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.234 1.081 25536 8790 1 18 . 1 1 86 86 GLY H H 86 7.983 7.983 8.068 -0.085 25536 8791 1 18 . 1 1 87 87 ARG N N 87 113.296 113.296 116.742 -3.446 25536 8792 1 18 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.692 -0.038 25536 8793 1 18 . 1 1 87 87 ARG C C 87 174.720 174.720 175.005 -0.285 25536 8794 1 18 . 1 1 87 87 ARG CA C 87 54.279 54.279 54.007 0.272 25536 8795 1 18 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.763 2.632 25536 8796 1 18 . 1 1 87 87 ARG H H 87 7.411 7.411 7.559 -0.148 25536 8797 1 18 . 1 1 88 88 GLN N N 88 115.575 115.575 120.731 -5.156 25536 8798 1 18 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.259 -0.206 25536 8799 1 18 . 1 1 88 88 GLN C C 88 175.946 175.946 175.098 0.848 25536 8800 1 18 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.449 -0.037 25536 8801 1 18 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.198 0.592 25536 8802 1 18 . 1 1 88 88 GLN H H 88 8.653 8.653 8.823 -0.170 25536 8803 1 18 . 1 1 89 89 SER N N 89 110.451 110.451 112.103 -1.652 25536 8804 1 18 . 1 1 89 89 SER HA H 89 5.428 5.428 5.377 0.051 25536 8805 1 18 . 1 1 89 89 SER C C 89 173.062 173.062 172.972 0.090 25536 8806 1 18 . 1 1 89 89 SER CA C 89 57.011 57.011 56.545 0.466 25536 8807 1 18 . 1 1 89 89 SER CB C 89 66.560 66.560 66.166 0.394 25536 8808 1 18 . 1 1 89 89 SER H H 89 7.625 7.625 7.661 -0.036 25536 8809 1 18 . 1 1 90 90 PHE N N 90 115.159 115.159 116.708 -1.549 25536 8810 1 18 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.975 -0.290 25536 8811 1 18 . 1 1 90 90 PHE C C 90 170.337 170.337 172.767 -2.430 25536 8812 1 18 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.370 -0.172 25536 8813 1 18 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.654 -0.242 25536 8814 1 18 . 1 1 90 90 PHE H H 90 8.549 8.549 7.790 0.759 25536 8815 1 18 . 1 1 91 91 SER N N 91 113.637 113.637 113.188 0.449 25536 8816 1 18 . 1 1 91 91 SER HA H 91 5.350 5.350 5.184 0.167 25536 8817 1 18 . 1 1 91 91 SER C C 91 178.100 178.100 174.914 3.186 25536 8818 1 18 . 1 1 91 91 SER CA C 91 54.748 54.748 56.114 -1.366 25536 8819 1 18 . 1 1 91 91 SER CB C 91 65.325 65.325 67.232 -1.907 25536 8820 1 18 . 1 1 91 91 SER H H 91 9.010 9.010 8.140 0.870 25536 8821 1 18 . 1 1 92 92 VAL N N 92 120.560 120.560 119.808 0.752 25536 8822 1 18 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.838 0.070 25536 8823 1 18 . 1 1 92 92 VAL C C 92 175.704 175.704 177.423 -1.719 25536 8824 1 18 . 1 1 92 92 VAL CA C 92 64.000 64.000 66.088 -2.088 25536 8825 1 18 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.834 -1.034 25536 8826 1 18 . 1 1 92 92 VAL H H 92 8.948 8.948 8.662 0.286 25536 8827 1 18 . 1 1 93 93 LYS N N 93 116.481 116.481 118.333 -1.852 25536 8828 1 18 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.211 -0.264 25536 8829 1 18 . 1 1 93 93 LYS C C 93 177.088 177.088 176.161 0.927 25536 8830 1 18 . 1 1 93 93 LYS CA C 93 57.699 57.699 57.984 -0.285 25536 8831 1 18 . 1 1 93 93 LYS CB C 93 32.258 32.258 32.643 -0.385 25536 8832 1 18 . 1 1 93 93 LYS H H 93 8.086 8.086 8.027 0.059 25536 8833 1 18 . 1 1 94 94 ASP N N 94 114.885 114.885 118.769 -3.884 25536 8834 1 18 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.116 -0.174 25536 8835 1 18 . 1 1 94 94 ASP C C 94 173.021 173.021 175.398 -2.377 25536 8836 1 18 . 1 1 94 94 ASP CA C 94 51.589 51.589 50.871 0.718 25536 8837 1 18 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.454 -0.009 25536 8838 1 18 . 1 1 94 94 ASP H H 94 7.399 7.399 7.762 -0.363 25536 8839 1 18 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.649 -0.231 25536 8840 1 18 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.822 -0.175 25536 8841 1 18 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.837 -0.077 25536 8842 1 18 . 1 1 96 96 SER N N 96 118.790 118.790 116.579 2.211 25536 8843 1 18 . 1 1 96 96 SER HA H 96 4.219 4.219 4.167 0.052 25536 8844 1 18 . 1 1 96 96 SER C C 96 173.615 173.615 173.978 -0.363 25536 8845 1 18 . 1 1 96 96 SER CA C 96 64.525 64.525 63.607 0.918 25536 8846 1 18 . 1 1 96 96 SER CB C 96 61.994 61.994 61.111 0.883 25536 8847 1 18 . 1 1 96 96 SER H H 96 8.052 8.052 8.600 -0.548 25536 8848 1 18 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.373 -0.026 25536 8849 1 18 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.022 0.994 25536 8850 1 18 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.353 0.259 25536 8851 1 18 . 1 1 98 98 LEU N N 98 117.938 117.938 120.258 -2.320 25536 8852 1 18 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.754 -0.158 25536 8853 1 18 . 1 1 98 98 LEU C C 98 178.196 178.196 178.653 -0.457 25536 8854 1 18 . 1 1 98 98 LEU CA C 98 57.284 57.284 58.182 -0.898 25536 8855 1 18 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.140 0.269 25536 8856 1 18 . 1 1 98 98 LEU H H 98 7.076 7.076 7.936 -0.860 25536 8857 1 18 . 1 1 99 99 TYR N N 99 117.957 117.957 117.600 0.357 25536 8858 1 18 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.054 0.096 25536 8859 1 18 . 1 1 99 99 TYR C C 99 178.767 178.767 178.255 0.512 25536 8860 1 18 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.704 -0.481 25536 8861 1 18 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.632 -0.594 25536 8862 1 18 . 1 1 99 99 TYR H H 99 7.547 7.547 7.698 -0.151 25536 8863 1 18 . 1 1 100 100 ASP N N 100 119.536 119.536 119.866 -0.330 25536 8864 1 18 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.381 -0.055 25536 8865 1 18 . 1 1 100 100 ASP C C 100 177.737 177.737 178.062 -0.325 25536 8866 1 18 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.231 0.644 25536 8867 1 18 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.906 0.235 25536 8868 1 18 . 1 1 100 100 ASP H H 100 8.292 8.292 8.025 0.267 25536 8869 1 18 . 1 1 101 101 MET N N 101 118.757 118.757 117.379 1.378 25536 8870 1 18 . 1 1 101 101 MET HA H 101 3.964 3.964 4.357 -0.393 25536 8871 1 18 . 1 1 101 101 MET C C 101 180.006 180.006 177.469 2.537 25536 8872 1 18 . 1 1 101 101 MET CA C 101 59.710 59.710 57.479 2.231 25536 8873 1 18 . 1 1 101 101 MET CB C 101 31.642 31.642 32.162 -0.520 25536 8874 1 18 . 1 1 101 101 MET H H 101 7.226 7.226 7.608 -0.382 25536 8875 1 18 . 1 1 102 102 LEU N N 102 121.624 121.624 120.747 0.877 25536 8876 1 18 . 1 1 102 102 LEU HA H 102 3.696 3.696 3.957 -0.261 25536 8877 1 18 . 1 1 102 102 LEU C C 102 178.566 178.566 179.016 -0.450 25536 8878 1 18 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.300 1.627 25536 8879 1 18 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.264 0.221 25536 8880 1 18 . 1 1 102 102 LEU H H 102 8.472 8.472 8.130 0.342 25536 8881 1 18 . 1 1 103 103 ARG N N 103 117.111 117.111 117.725 -0.614 25536 8882 1 18 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.080 -0.110 25536 8883 1 18 . 1 1 103 103 ARG C C 103 178.818 178.818 177.366 1.452 25536 8884 1 18 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.858 0.645 25536 8885 1 18 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.096 0.199 25536 8886 1 18 . 1 1 103 103 ARG H H 103 7.932 7.932 8.398 -0.466 25536 8887 1 18 . 1 1 104 104 LYS N N 104 114.172 114.172 114.394 -0.222 25536 8888 1 18 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.431 -0.209 25536 8889 1 18 . 1 1 104 104 LYS C C 104 177.556 177.556 177.084 0.472 25536 8890 1 18 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.424 1.536 25536 8891 1 18 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.046 2.181 25536 8892 1 18 . 1 1 104 104 LYS H H 104 7.157 7.157 7.943 -0.786 25536 8893 1 18 . 1 1 105 105 ASN N N 105 114.145 114.145 116.940 -2.795 25536 8894 1 18 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.833 -0.102 25536 8895 1 18 . 1 1 105 105 ASN C C 105 172.822 172.822 173.757 -0.935 25536 8896 1 18 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.454 0.389 25536 8897 1 18 . 1 1 105 105 ASN CB C 105 42.645 42.645 41.678 0.967 25536 8898 1 18 . 1 1 105 105 ASN H H 105 7.665 7.665 7.827 -0.162 25536 8899 1 18 . 1 1 106 106 LEU N N 106 118.600 118.600 119.678 -1.078 25536 8900 1 18 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.729 -0.058 25536 8901 1 18 . 1 1 106 106 LEU C C 106 175.658 175.658 174.742 0.916 25536 8902 1 18 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.263 -0.105 25536 8903 1 18 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.760 -1.195 25536 8904 1 18 . 1 1 106 106 LEU H H 106 7.439 7.439 8.216 -0.777 25536 8905 1 18 . 1 1 107 107 VAL N N 107 122.739 122.739 127.468 -4.729 25536 8906 1 18 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.280 -0.072 25536 8907 1 18 . 1 1 107 107 VAL C C 107 176.054 176.054 175.872 0.182 25536 8908 1 18 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.548 0.668 25536 8909 1 18 . 1 1 107 107 VAL CB C 107 33.580 33.580 31.232 2.348 25536 8910 1 18 . 1 1 107 107 VAL H H 107 8.182 8.182 8.360 -0.178 25536 8911 1 18 . 1 1 108 108 THR N N 108 120.854 120.854 119.075 1.779 25536 8912 1 18 . 1 1 108 108 THR HA H 108 4.336 4.336 4.569 -0.233 25536 8913 1 18 . 1 1 108 108 THR C C 108 174.216 174.216 175.623 -1.407 25536 8914 1 18 . 1 1 108 108 THR CA C 108 62.726 62.726 60.465 2.261 25536 8915 1 18 . 1 1 108 108 THR CB C 108 70.080 70.080 70.492 -0.412 25536 8916 1 18 . 1 1 108 108 THR H H 108 8.524 8.524 8.148 0.376 25536 8917 1 18 . 1 1 109 109 LEU N N 109 125.529 125.529 123.819 1.710 25536 8918 1 18 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.203 0.149 25536 8919 1 18 . 1 1 109 109 LEU C C 109 176.523 176.523 176.887 -0.364 25536 8920 1 18 . 1 1 109 109 LEU CA C 109 55.047 55.047 56.061 -1.014 25536 8921 1 18 . 1 1 109 109 LEU CB C 109 42.590 42.590 42.217 0.373 25536 8922 1 18 . 1 1 109 109 LEU H H 109 8.313 8.313 8.772 -0.459 25536 8923 1 18 . 1 1 110 110 ALA N N 110 125.099 125.099 119.073 6.026 25536 8924 1 18 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.076 0.290 25536 8925 1 18 . 1 1 110 110 ALA C C 110 176.847 176.847 176.852 -0.005 25536 8926 1 18 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.756 -0.128 25536 8927 1 18 . 1 1 110 110 ALA CB C 110 19.706 19.706 18.001 1.705 25536 8928 1 18 . 1 1 110 110 ALA H H 110 8.257 8.257 7.901 0.356 25536 8929 1 19 . 1 1 24 24 ILE N N 24 120.668 120.668 121.431 -0.763 25536 8930 1 19 . 1 1 24 24 ILE HA H 24 4.147 4.147 4.023 0.124 25536 8931 1 19 . 1 1 24 24 ILE C C 24 175.650 175.650 176.194 -0.544 25536 8932 1 19 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.785 -0.443 25536 8933 1 19 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.197 0.871 25536 8934 1 19 . 1 1 24 24 ILE H H 24 8.119 8.119 8.742 -0.623 25536 8935 1 19 . 1 1 25 25 ASN N N 25 122.032 122.032 115.760 6.272 25536 8936 1 19 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.401 0.303 25536 8937 1 19 . 1 1 25 25 ASN C C 25 174.775 174.775 173.809 0.966 25536 8938 1 19 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.840 -0.110 25536 8939 1 19 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.529 1.877 25536 8940 1 19 . 1 1 25 25 ASN H H 25 8.446 8.446 8.627 -0.181 25536 8941 1 19 . 1 1 26 26 GLN N N 26 118.655 118.655 117.223 1.432 25536 8942 1 19 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.572 0.015 25536 8943 1 19 . 1 1 26 26 GLN C C 26 175.291 175.291 174.646 0.645 25536 8944 1 19 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.438 1.264 25536 8945 1 19 . 1 1 26 26 GLN CB C 26 32.258 32.258 30.972 1.286 25536 8946 1 19 . 1 1 26 26 GLN H H 26 8.215 8.215 7.858 0.357 25536 8947 1 19 . 1 1 27 27 VAL N N 27 113.749 113.749 115.676 -1.927 25536 8948 1 19 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.429 0.438 25536 8949 1 19 . 1 1 27 27 VAL C C 27 173.900 173.900 174.795 -0.895 25536 8950 1 19 . 1 1 27 27 VAL CA C 27 59.116 59.116 59.775 -0.659 25536 8951 1 19 . 1 1 27 27 VAL CB C 27 36.104 36.104 33.983 2.121 25536 8952 1 19 . 1 1 27 27 VAL H H 27 9.417 9.417 8.279 1.138 25536 8953 1 19 . 1 1 28 28 ARG N N 28 121.515 121.515 124.557 -3.042 25536 8954 1 19 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.136 0.321 25536 8955 1 19 . 1 1 28 28 ARG C C 28 175.090 175.090 175.402 -0.312 25536 8956 1 19 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.255 -0.684 25536 8957 1 19 . 1 1 28 28 ARG CB C 28 33.674 33.674 31.286 2.388 25536 8958 1 19 . 1 1 28 28 ARG H H 28 8.901 8.901 8.500 0.401 25536 8959 1 19 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.556 0.439 25536 8960 1 19 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.286 -0.234 25536 8961 1 19 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.815 -0.554 25536 8962 1 19 . 1 1 30 30 LYS N N 30 121.291 121.291 119.413 1.878 25536 8963 1 19 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.130 0.071 25536 8964 1 19 . 1 1 30 30 LYS C C 30 177.557 177.557 178.368 -0.811 25536 8965 1 19 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.458 1.264 25536 8966 1 19 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.609 0.386 25536 8967 1 19 . 1 1 30 30 LYS H H 30 8.476 8.476 8.321 0.155 25536 8968 1 19 . 1 1 31 31 LEU N N 31 121.578 121.578 125.196 -3.618 25536 8969 1 19 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.170 -0.115 25536 8970 1 19 . 1 1 31 31 LEU C C 31 174.261 174.261 175.557 -1.296 25536 8971 1 19 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.422 0.774 25536 8972 1 19 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.855 -0.005 25536 8973 1 19 . 1 1 31 31 LEU H H 31 8.584 8.584 8.972 -0.388 25536 8974 1 19 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.200 -0.067 25536 8975 1 19 . 1 1 32 32 PRO CA C 32 66.578 66.578 66.020 0.558 25536 8976 1 19 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.076 0.401 25536 8977 1 19 . 1 1 33 33 LEU N N 33 113.190 113.190 118.158 -4.968 25536 8978 1 19 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.015 -0.040 25536 8979 1 19 . 1 1 33 33 LEU C C 33 177.726 177.726 178.636 -0.910 25536 8980 1 19 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.986 -1.846 25536 8981 1 19 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.352 0.495 25536 8982 1 19 . 1 1 33 33 LEU H H 33 6.605 6.605 7.598 -0.993 25536 8983 1 19 . 1 1 34 34 LEU N N 34 121.683 121.683 120.304 1.379 25536 8984 1 19 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.814 -0.432 25536 8985 1 19 . 1 1 34 34 LEU C C 34 177.321 177.321 178.253 -0.932 25536 8986 1 19 . 1 1 34 34 LEU CA C 34 58.237 58.237 58.001 0.236 25536 8987 1 19 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.395 0.516 25536 8988 1 19 . 1 1 34 34 LEU H H 34 8.399 8.399 8.473 -0.074 25536 8989 1 19 . 1 1 35 35 LYS N N 35 114.524 114.524 119.185 -4.661 25536 8990 1 19 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.023 -0.230 25536 8991 1 19 . 1 1 35 35 LYS C C 35 180.207 180.207 178.814 1.393 25536 8992 1 19 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.439 0.632 25536 8993 1 19 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.910 0.559 25536 8994 1 19 . 1 1 35 35 LYS H H 35 7.940 7.940 8.172 -0.232 25536 8995 1 19 . 1 1 36 36 ILE N N 36 119.857 119.857 119.987 -0.130 25536 8996 1 19 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.501 -0.197 25536 8997 1 19 . 1 1 36 36 ILE C C 36 176.418 176.418 177.793 -1.375 25536 8998 1 19 . 1 1 36 36 ILE CA C 36 64.480 64.480 65.005 -0.525 25536 8999 1 19 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.589 0.015 25536 9000 1 19 . 1 1 36 36 ILE H H 36 6.742 6.742 7.321 -0.579 25536 9001 1 19 . 1 1 37 37 LEU N N 37 116.695 116.695 119.035 -2.340 25536 9002 1 19 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.878 -0.356 25536 9003 1 19 . 1 1 37 37 LEU C C 37 180.263 180.263 179.341 0.922 25536 9004 1 19 . 1 1 37 37 LEU CA C 37 58.280 58.280 57.858 0.422 25536 9005 1 19 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.920 -1.782 25536 9006 1 19 . 1 1 37 37 LEU H H 37 7.595 7.595 7.656 -0.061 25536 9007 1 19 . 1 1 38 38 HIS N N 38 117.829 117.829 117.508 0.321 25536 9008 1 19 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.178 0.504 25536 9009 1 19 . 1 1 38 38 HIS C C 38 180.133 180.133 178.080 2.053 25536 9010 1 19 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.493 -1.202 25536 9011 1 19 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.210 1.200 25536 9012 1 19 . 1 1 38 38 HIS H H 38 8.955 8.955 8.561 0.394 25536 9013 1 19 . 1 1 39 39 ALA N N 39 124.006 124.006 121.373 2.633 25536 9014 1 19 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.241 0.005 25536 9015 1 19 . 1 1 39 39 ALA C C 39 178.835 178.835 178.187 0.648 25536 9016 1 19 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.345 0.740 25536 9017 1 19 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.515 -0.404 25536 9018 1 19 . 1 1 39 39 ALA H H 39 7.945 7.945 8.308 -0.363 25536 9019 1 19 . 1 1 40 40 ALA N N 40 118.201 118.201 119.385 -1.184 25536 9020 1 19 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.387 0.034 25536 9021 1 19 . 1 1 40 40 ALA C C 40 176.261 176.261 178.060 -1.799 25536 9022 1 19 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.348 -0.212 25536 9023 1 19 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.112 1.000 25536 9024 1 19 . 1 1 40 40 ALA H H 40 7.665 7.665 7.327 0.338 25536 9025 1 19 . 1 1 41 41 GLY N N 41 103.920 103.920 107.693 -3.773 25536 9026 1 19 . 1 1 41 41 GLY C C 41 174.412 174.412 173.881 0.531 25536 9027 1 19 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.763 0.204 25536 9028 1 19 . 1 1 41 41 GLY H H 41 7.683 7.683 7.737 -0.054 25536 9029 1 19 . 1 1 42 42 ALA N N 42 123.582 123.582 121.111 2.471 25536 9030 1 19 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.367 0.268 25536 9031 1 19 . 1 1 42 42 ALA C C 42 175.772 175.772 177.062 -1.290 25536 9032 1 19 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.072 1.607 25536 9033 1 19 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.407 -0.051 25536 9034 1 19 . 1 1 42 42 ALA H H 42 7.578 7.578 7.737 -0.159 25536 9035 1 19 . 1 1 43 43 GLN N N 43 116.996 116.996 121.031 -4.035 25536 9036 1 19 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.428 -0.079 25536 9037 1 19 . 1 1 43 43 GLN C C 43 175.528 175.528 175.582 -0.054 25536 9038 1 19 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.375 -0.724 25536 9039 1 19 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.003 3.411 25536 9040 1 19 . 1 1 43 43 GLN H H 43 8.481 8.481 8.548 -0.067 25536 9041 1 19 . 1 1 44 44 GLY N N 44 108.128 108.128 108.201 -0.073 25536 9042 1 19 . 1 1 44 44 GLY C C 44 173.892 173.892 172.572 1.320 25536 9043 1 19 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.624 -0.926 25536 9044 1 19 . 1 1 44 44 GLY H H 44 8.510 8.510 7.694 0.816 25536 9045 1 19 . 1 1 45 45 GLU N N 45 114.113 114.113 118.594 -4.481 25536 9046 1 19 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.428 0.180 25536 9047 1 19 . 1 1 45 45 GLU C C 45 174.007 174.007 174.511 -0.504 25536 9048 1 19 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.883 0.945 25536 9049 1 19 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.506 1.545 25536 9050 1 19 . 1 1 45 45 GLU H H 45 8.245 8.245 8.231 0.014 25536 9051 1 19 . 1 1 46 46 MET N N 46 115.322 115.322 117.419 -2.097 25536 9052 1 19 . 1 1 46 46 MET HA H 46 5.051 5.051 4.464 0.587 25536 9053 1 19 . 1 1 46 46 MET C C 46 174.637 174.637 174.280 0.357 25536 9054 1 19 . 1 1 46 46 MET CA C 46 54.264 54.264 54.067 0.197 25536 9055 1 19 . 1 1 46 46 MET CB C 46 35.854 35.854 34.143 1.711 25536 9056 1 19 . 1 1 46 46 MET H H 46 6.872 6.872 7.071 -0.199 25536 9057 1 19 . 1 1 47 47 PHE N N 47 119.008 119.008 120.347 -1.339 25536 9058 1 19 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.038 0.056 25536 9059 1 19 . 1 1 47 47 PHE C C 47 175.742 175.742 174.946 0.796 25536 9060 1 19 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.515 1.823 25536 9061 1 19 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.510 5.402 25536 9062 1 19 . 1 1 47 47 PHE H H 47 8.623 8.623 9.062 -0.439 25536 9063 1 19 . 1 1 48 48 THR N N 48 110.544 110.544 112.593 -2.049 25536 9064 1 19 . 1 1 48 48 THR HA H 48 4.990 4.990 4.575 0.415 25536 9065 1 19 . 1 1 48 48 THR C C 48 176.666 176.666 176.153 0.513 25536 9066 1 19 . 1 1 48 48 THR CA C 48 61.095 61.095 59.992 1.103 25536 9067 1 19 . 1 1 48 48 THR CB C 48 71.136 71.136 70.964 0.172 25536 9068 1 19 . 1 1 48 48 THR H H 48 9.108 9.108 9.289 -0.181 25536 9069 1 19 . 1 1 49 49 VAL N N 49 121.588 121.588 122.532 -0.944 25536 9070 1 19 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.663 -0.282 25536 9071 1 19 . 1 1 49 49 VAL C C 49 177.726 177.726 176.942 0.784 25536 9072 1 19 . 1 1 49 49 VAL CA C 49 68.241 68.241 66.046 2.196 25536 9073 1 19 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.826 -0.271 25536 9074 1 19 . 1 1 49 49 VAL H H 49 9.044 9.044 8.953 0.091 25536 9075 1 19 . 1 1 50 50 LYS N N 50 118.341 118.341 115.353 2.988 25536 9076 1 19 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.106 -0.147 25536 9077 1 19 . 1 1 50 50 LYS C C 50 180.060 180.060 178.244 1.816 25536 9078 1 19 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.003 1.353 25536 9079 1 19 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.741 1.098 25536 9080 1 19 . 1 1 50 50 LYS H H 50 8.132 8.132 8.346 -0.214 25536 9081 1 19 . 1 1 51 51 GLU N N 51 119.521 119.521 120.466 -0.945 25536 9082 1 19 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.913 0.133 25536 9083 1 19 . 1 1 51 51 GLU C C 51 178.583 178.583 178.402 0.181 25536 9084 1 19 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.045 0.857 25536 9085 1 19 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.027 1.429 25536 9086 1 19 . 1 1 51 51 GLU H H 51 7.877 7.877 7.439 0.438 25536 9087 1 19 . 1 1 52 52 VAL N N 52 119.044 119.044 118.230 0.814 25536 9088 1 19 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.501 -0.251 25536 9089 1 19 . 1 1 52 52 VAL C C 52 177.546 177.546 177.876 -0.330 25536 9090 1 19 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.829 2.072 25536 9091 1 19 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.526 -0.149 25536 9092 1 19 . 1 1 52 52 VAL H H 52 8.245 8.245 8.421 -0.176 25536 9093 1 19 . 1 1 53 53 MET N N 53 114.669 114.669 115.805 -1.136 25536 9094 1 19 . 1 1 53 53 MET HA H 53 4.198 4.198 4.071 0.127 25536 9095 1 19 . 1 1 53 53 MET C C 53 178.699 178.699 177.215 1.484 25536 9096 1 19 . 1 1 53 53 MET CA C 53 57.748 57.748 57.254 0.494 25536 9097 1 19 . 1 1 53 53 MET CB C 53 32.680 32.680 31.529 1.151 25536 9098 1 19 . 1 1 53 53 MET H H 53 8.188 8.188 7.950 0.238 25536 9099 1 19 . 1 1 54 54 HIS N N 54 118.909 118.909 120.528 -1.619 25536 9100 1 19 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.160 -0.043 25536 9101 1 19 . 1 1 54 54 HIS C C 54 178.675 178.675 177.073 1.602 25536 9102 1 19 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.266 0.006 25536 9103 1 19 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.784 0.813 25536 9104 1 19 . 1 1 54 54 HIS H H 54 8.091 8.091 7.409 0.682 25536 9105 1 19 . 1 1 55 55 TYR N N 55 116.769 116.769 116.775 -0.006 25536 9106 1 19 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.258 -0.406 25536 9107 1 19 . 1 1 55 55 TYR C C 55 177.794 177.794 177.858 -0.064 25536 9108 1 19 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.325 3.392 25536 9109 1 19 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.102 2.027 25536 9110 1 19 . 1 1 55 55 TYR H H 55 8.468 8.468 7.430 1.038 25536 9111 1 19 . 1 1 56 56 LEU N N 56 120.819 120.819 119.608 1.211 25536 9112 1 19 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.953 -0.144 25536 9113 1 19 . 1 1 56 56 LEU C C 56 178.484 178.484 179.166 -0.682 25536 9114 1 19 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.647 0.975 25536 9115 1 19 . 1 1 56 56 LEU CB C 56 42.581 42.581 40.977 1.605 25536 9116 1 19 . 1 1 56 56 LEU H H 56 8.455 8.455 7.492 0.963 25536 9117 1 19 . 1 1 57 57 GLY N N 57 104.896 104.896 106.702 -1.806 25536 9118 1 19 . 1 1 57 57 GLY C C 57 175.647 175.647 175.833 -0.186 25536 9119 1 19 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.085 0.154 25536 9120 1 19 . 1 1 57 57 GLY H H 57 7.691 7.691 7.737 -0.046 25536 9121 1 19 . 1 1 58 58 GLN N N 58 119.080 119.080 121.875 -2.795 25536 9122 1 19 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.996 -0.184 25536 9123 1 19 . 1 1 58 58 GLN C C 58 177.429 177.429 177.767 -0.338 25536 9124 1 19 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.504 0.174 25536 9125 1 19 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.353 0.522 25536 9126 1 19 . 1 1 58 58 GLN H H 58 7.704 7.704 7.659 0.045 25536 9127 1 19 . 1 1 59 59 TYR N N 59 120.995 120.995 122.471 -1.476 25536 9128 1 19 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.228 -0.424 25536 9129 1 19 . 1 1 59 59 TYR C C 59 176.215 176.215 177.508 -1.293 25536 9130 1 19 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.272 0.293 25536 9131 1 19 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.782 -0.163 25536 9132 1 19 . 1 1 59 59 TYR H H 59 8.500 8.500 8.165 0.335 25536 9133 1 19 . 1 1 60 60 ILE N N 60 116.532 116.532 119.496 -2.964 25536 9134 1 19 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.607 -0.304 25536 9135 1 19 . 1 1 60 60 ILE C C 60 177.952 177.952 178.152 -0.200 25536 9136 1 19 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.844 -0.297 25536 9137 1 19 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.066 0.365 25536 9138 1 19 . 1 1 60 60 ILE H H 60 7.585 7.585 8.802 -1.217 25536 9139 1 19 . 1 1 61 61 MET N N 61 115.556 115.556 119.328 -3.772 25536 9140 1 19 . 1 1 61 61 MET HA H 61 4.547 4.547 4.305 0.242 25536 9141 1 19 . 1 1 61 61 MET C C 61 180.579 180.579 178.574 2.005 25536 9142 1 19 . 1 1 61 61 MET CA C 61 57.563 57.563 58.355 -0.792 25536 9143 1 19 . 1 1 61 61 MET CB C 61 31.473 31.473 31.910 -0.437 25536 9144 1 19 . 1 1 61 61 MET H H 61 7.707 7.707 8.100 -0.393 25536 9145 1 19 . 1 1 62 62 VAL N N 62 120.872 120.872 118.023 2.849 25536 9146 1 19 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.751 0.077 25536 9147 1 19 . 1 1 62 62 VAL C C 62 178.786 178.786 177.731 1.055 25536 9148 1 19 . 1 1 62 62 VAL CA C 62 66.112 66.112 65.237 0.874 25536 9149 1 19 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.057 -0.066 25536 9150 1 19 . 1 1 62 62 VAL H H 62 9.009 9.009 8.201 0.808 25536 9151 1 19 . 1 1 63 63 LYS N N 63 116.652 116.652 117.514 -0.862 25536 9152 1 19 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.111 -0.054 25536 9153 1 19 . 1 1 63 63 LYS C C 63 174.784 174.784 175.733 -0.949 25536 9154 1 19 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.505 0.578 25536 9155 1 19 . 1 1 63 63 LYS CB C 63 31.461 31.461 31.981 -0.520 25536 9156 1 19 . 1 1 63 63 LYS H H 63 7.812 7.812 8.058 -0.246 25536 9157 1 19 . 1 1 64 64 GLN N N 64 115.445 115.445 114.917 0.528 25536 9158 1 19 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.772 -0.166 25536 9159 1 19 . 1 1 64 64 GLN C C 64 175.550 175.550 174.998 0.552 25536 9160 1 19 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.308 0.671 25536 9161 1 19 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.320 0.928 25536 9162 1 19 . 1 1 64 64 GLN H H 64 7.642 7.642 7.852 -0.210 25536 9163 1 19 . 1 1 65 65 LEU N N 65 115.724 115.724 118.777 -3.053 25536 9164 1 19 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.431 0.026 25536 9165 1 19 . 1 1 65 65 LEU C C 65 175.979 175.979 175.711 0.268 25536 9166 1 19 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.271 0.383 25536 9167 1 19 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.679 0.271 25536 9168 1 19 . 1 1 65 65 LEU H H 65 8.097 8.097 7.464 0.633 25536 9169 1 19 . 1 1 66 66 TYR N N 66 112.953 112.953 114.638 -1.685 25536 9170 1 19 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.278 0.014 25536 9171 1 19 . 1 1 66 66 TYR C C 66 173.941 173.941 174.320 -0.379 25536 9172 1 19 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.842 0.787 25536 9173 1 19 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.955 -1.207 25536 9174 1 19 . 1 1 66 66 TYR H H 66 6.856 6.856 6.882 -0.026 25536 9175 1 19 . 1 1 67 67 ASP N N 67 122.196 122.196 120.787 1.409 25536 9176 1 19 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.766 -0.328 25536 9177 1 19 . 1 1 67 67 ASP C C 67 176.779 176.779 177.565 -0.786 25536 9178 1 19 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.144 0.836 25536 9179 1 19 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.777 -0.245 25536 9180 1 19 . 1 1 67 67 ASP H H 67 8.324 8.324 8.334 -0.010 25536 9181 1 19 . 1 1 68 68 GLN N N 68 123.042 123.042 122.765 0.277 25536 9182 1 19 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.172 -0.286 25536 9183 1 19 . 1 1 68 68 GLN C C 68 177.122 177.122 177.237 -0.115 25536 9184 1 19 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.669 0.362 25536 9185 1 19 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.754 0.333 25536 9186 1 19 . 1 1 68 68 GLN H H 68 8.563 8.563 8.701 -0.138 25536 9187 1 19 . 1 1 69 69 GLN N N 69 115.263 115.263 117.834 -2.571 25536 9188 1 19 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.241 0.116 25536 9189 1 19 . 1 1 69 69 GLN C C 69 176.272 176.272 176.031 0.241 25536 9190 1 19 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.125 0.004 25536 9191 1 19 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.836 0.288 25536 9192 1 19 . 1 1 69 69 GLN H H 69 8.356 8.356 7.908 0.448 25536 9193 1 19 . 1 1 70 70 GLU N N 70 122.549 122.549 118.079 4.470 25536 9194 1 19 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.430 0.089 25536 9195 1 19 . 1 1 70 70 GLU C C 70 175.953 175.953 175.908 0.045 25536 9196 1 19 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.394 -0.437 25536 9197 1 19 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.652 -0.092 25536 9198 1 19 . 1 1 70 70 GLU H H 70 8.227 8.227 8.176 0.051 25536 9199 1 19 . 1 1 71 71 GLN N N 71 118.815 118.815 122.152 -3.337 25536 9200 1 19 . 1 1 71 71 GLN HA H 71 4.552 4.552 4.031 0.521 25536 9201 1 19 . 1 1 71 71 GLN C C 71 174.842 174.842 176.434 -1.592 25536 9202 1 19 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.347 1.350 25536 9203 1 19 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.545 -0.615 25536 9204 1 19 . 1 1 71 71 GLN H H 71 8.253 8.253 8.781 -0.528 25536 9205 1 19 . 1 1 72 72 HIS N N 72 111.141 111.141 111.037 0.104 25536 9206 1 19 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.517 -0.344 25536 9207 1 19 . 1 1 72 72 HIS C C 72 173.749 173.749 174.671 -0.922 25536 9208 1 19 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.316 0.943 25536 9209 1 19 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.450 1.622 25536 9210 1 19 . 1 1 72 72 HIS H H 72 7.412 7.412 7.403 0.009 25536 9211 1 19 . 1 1 73 73 MET N N 73 119.350 119.350 120.100 -0.750 25536 9212 1 19 . 1 1 73 73 MET HA H 73 4.584 4.584 4.566 0.018 25536 9213 1 19 . 1 1 73 73 MET C C 73 174.311 174.311 174.653 -0.342 25536 9214 1 19 . 1 1 73 73 MET CA C 73 53.186 53.186 53.619 -0.433 25536 9215 1 19 . 1 1 73 73 MET CB C 73 31.731 31.731 32.325 -0.594 25536 9216 1 19 . 1 1 73 73 MET H H 73 7.766 7.766 7.410 0.356 25536 9217 1 19 . 1 1 74 74 VAL N N 74 122.542 122.542 123.498 -0.956 25536 9218 1 19 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.244 -0.296 25536 9219 1 19 . 1 1 74 74 VAL C C 74 174.756 174.756 174.393 0.363 25536 9220 1 19 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.093 0.530 25536 9221 1 19 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.452 0.362 25536 9222 1 19 . 1 1 74 74 VAL H H 74 8.456 8.456 8.384 0.072 25536 9223 1 19 . 1 1 75 75 TYR N N 75 125.680 125.680 126.323 -0.643 25536 9224 1 19 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.200 -0.441 25536 9225 1 19 . 1 1 75 75 TYR C C 75 174.923 174.923 175.135 -0.212 25536 9226 1 19 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.889 0.923 25536 9227 1 19 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.400 0.449 25536 9228 1 19 . 1 1 75 75 TYR H H 75 8.213 8.213 9.009 -0.796 25536 9229 1 19 . 1 1 76 76 CYS N N 76 116.702 116.702 120.690 -3.988 25536 9230 1 19 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.580 0.159 25536 9231 1 19 . 1 1 76 76 CYS C C 76 174.231 174.231 175.103 -0.872 25536 9232 1 19 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.494 -2.391 25536 9233 1 19 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.572 2.125 25536 9234 1 19 . 1 1 76 76 CYS H H 76 8.307 8.307 8.804 -0.497 25536 9235 1 19 . 1 1 77 77 GLY N N 77 111.569 111.569 109.112 2.457 25536 9236 1 19 . 1 1 77 77 GLY C C 77 174.662 174.662 175.262 -0.600 25536 9237 1 19 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.625 0.524 25536 9238 1 19 . 1 1 77 77 GLY H H 77 8.484 8.484 7.843 0.641 25536 9239 1 19 . 1 1 78 78 GLY N N 78 113.022 113.022 112.499 0.523 25536 9240 1 19 . 1 1 78 78 GLY C C 78 172.811 172.811 174.207 -1.396 25536 9241 1 19 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.846 0.914 25536 9242 1 19 . 1 1 78 78 GLY H H 78 8.889 8.889 8.417 0.472 25536 9243 1 19 . 1 1 79 79 ASP N N 79 119.431 119.431 120.145 -0.714 25536 9244 1 19 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.832 0.056 25536 9245 1 19 . 1 1 79 79 ASP C C 79 176.302 176.302 175.906 0.396 25536 9246 1 19 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.299 -0.206 25536 9247 1 19 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.982 4.282 25536 9248 1 19 . 1 1 79 79 ASP H H 79 7.789 7.789 7.798 -0.009 25536 9249 1 19 . 1 1 80 80 LEU N N 80 128.421 128.421 125.619 2.802 25536 9250 1 19 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.310 -0.246 25536 9251 1 19 . 1 1 80 80 LEU C C 80 179.059 179.059 178.361 0.698 25536 9252 1 19 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.696 1.107 25536 9253 1 19 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.199 0.204 25536 9254 1 19 . 1 1 80 80 LEU H H 80 8.549 8.549 9.033 -0.484 25536 9255 1 19 . 1 1 81 81 LEU N N 81 118.633 118.633 119.833 -1.200 25536 9256 1 19 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.930 -0.063 25536 9257 1 19 . 1 1 81 81 LEU C C 81 178.542 178.542 178.311 0.231 25536 9258 1 19 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.157 0.614 25536 9259 1 19 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.241 1.408 25536 9260 1 19 . 1 1 81 81 LEU H H 81 9.973 9.973 8.866 1.107 25536 9261 1 19 . 1 1 82 82 GLY N N 82 105.564 105.564 105.822 -0.258 25536 9262 1 19 . 1 1 82 82 GLY C C 82 176.907 176.907 175.756 1.151 25536 9263 1 19 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.074 0.989 25536 9264 1 19 . 1 1 82 82 GLY H H 82 7.559 7.559 8.311 -0.752 25536 9265 1 19 . 1 1 83 83 GLU N N 83 121.706 121.706 122.415 -0.709 25536 9266 1 19 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.082 -0.100 25536 9267 1 19 . 1 1 83 83 GLU C C 83 179.215 179.215 178.756 0.459 25536 9268 1 19 . 1 1 83 83 GLU CA C 83 59.161 59.161 59.018 0.143 25536 9269 1 19 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.567 -0.074 25536 9270 1 19 . 1 1 83 83 GLU H H 83 7.536 7.536 8.238 -0.702 25536 9271 1 19 . 1 1 84 84 LEU N N 84 118.455 118.455 121.384 -2.929 25536 9272 1 19 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.071 -0.047 25536 9273 1 19 . 1 1 84 84 LEU C C 84 178.842 178.842 178.959 -0.117 25536 9274 1 19 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.273 0.202 25536 9275 1 19 . 1 1 84 84 LEU CB C 84 42.487 42.487 41.638 0.849 25536 9276 1 19 . 1 1 84 84 LEU H H 84 7.701 7.701 8.168 -0.467 25536 9277 1 19 . 1 1 85 85 LEU N N 85 115.271 115.271 116.779 -1.508 25536 9278 1 19 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.910 -0.134 25536 9279 1 19 . 1 1 85 85 LEU C C 85 177.773 177.773 177.730 0.043 25536 9280 1 19 . 1 1 85 85 LEU CA C 85 56.375 56.375 57.042 -0.667 25536 9281 1 19 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.272 1.621 25536 9282 1 19 . 1 1 85 85 LEU H H 85 8.117 8.117 8.214 -0.097 25536 9283 1 19 . 1 1 86 86 GLY N N 86 107.216 107.216 104.106 3.110 25536 9284 1 19 . 1 1 86 86 GLY C C 86 174.090 174.090 173.842 0.248 25536 9285 1 19 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.276 1.039 25536 9286 1 19 . 1 1 86 86 GLY H H 86 7.983 7.983 8.021 -0.038 25536 9287 1 19 . 1 1 87 87 ARG N N 87 113.296 113.296 117.021 -3.725 25536 9288 1 19 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.701 -0.047 25536 9289 1 19 . 1 1 87 87 ARG C C 87 174.720 174.720 174.732 -0.012 25536 9290 1 19 . 1 1 87 87 ARG CA C 87 54.279 54.279 54.127 0.152 25536 9291 1 19 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.913 2.482 25536 9292 1 19 . 1 1 87 87 ARG H H 87 7.411 7.411 7.721 -0.310 25536 9293 1 19 . 1 1 88 88 GLN N N 88 115.575 115.575 119.355 -3.780 25536 9294 1 19 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.280 -0.227 25536 9295 1 19 . 1 1 88 88 GLN C C 88 175.946 175.946 174.843 1.103 25536 9296 1 19 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.456 -0.044 25536 9297 1 19 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.012 0.778 25536 9298 1 19 . 1 1 88 88 GLN H H 88 8.653 8.653 8.837 -0.184 25536 9299 1 19 . 1 1 89 89 SER N N 89 110.451 110.451 111.892 -1.441 25536 9300 1 19 . 1 1 89 89 SER HA H 89 5.428 5.428 5.102 0.326 25536 9301 1 19 . 1 1 89 89 SER C C 89 173.062 173.062 173.172 -0.110 25536 9302 1 19 . 1 1 89 89 SER CA C 89 57.011 57.011 56.589 0.422 25536 9303 1 19 . 1 1 89 89 SER CB C 89 66.560 66.560 66.118 0.442 25536 9304 1 19 . 1 1 89 89 SER H H 89 7.625 7.625 7.367 0.258 25536 9305 1 19 . 1 1 90 90 PHE N N 90 115.159 115.159 115.760 -0.601 25536 9306 1 19 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.982 -0.297 25536 9307 1 19 . 1 1 90 90 PHE C C 90 170.337 170.337 172.751 -2.414 25536 9308 1 19 . 1 1 90 90 PHE CA C 90 57.198 57.198 56.826 0.372 25536 9309 1 19 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.430 -0.018 25536 9310 1 19 . 1 1 90 90 PHE H H 90 8.549 8.549 7.622 0.927 25536 9311 1 19 . 1 1 91 91 SER N N 91 113.637 113.637 114.608 -0.971 25536 9312 1 19 . 1 1 91 91 SER HA H 91 5.350 5.350 5.269 0.081 25536 9313 1 19 . 1 1 91 91 SER C C 91 178.100 178.100 176.424 1.676 25536 9314 1 19 . 1 1 91 91 SER CA C 91 54.748 54.748 55.873 -1.125 25536 9315 1 19 . 1 1 91 91 SER CB C 91 65.325 65.325 67.087 -1.762 25536 9316 1 19 . 1 1 91 91 SER H H 91 9.010 9.010 8.327 0.683 25536 9317 1 19 . 1 1 92 92 VAL N N 92 120.560 120.560 116.894 3.666 25536 9318 1 19 . 1 1 92 92 VAL HA H 92 3.908 3.908 4.135 -0.227 25536 9319 1 19 . 1 1 92 92 VAL C C 92 175.704 175.704 176.124 -0.420 25536 9320 1 19 . 1 1 92 92 VAL CA C 92 64.000 64.000 64.680 -0.680 25536 9321 1 19 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.468 -0.668 25536 9322 1 19 . 1 1 92 92 VAL H H 92 8.948 8.948 8.690 0.258 25536 9323 1 19 . 1 1 93 93 LYS N N 93 116.481 116.481 119.378 -2.897 25536 9324 1 19 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.378 -0.431 25536 9325 1 19 . 1 1 93 93 LYS C C 93 177.088 177.088 175.862 1.226 25536 9326 1 19 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.480 1.219 25536 9327 1 19 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.214 -0.956 25536 9328 1 19 . 1 1 93 93 LYS H H 93 8.086 8.086 7.669 0.417 25536 9329 1 19 . 1 1 94 94 ASP N N 94 114.885 114.885 119.711 -4.826 25536 9330 1 19 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.096 -0.154 25536 9331 1 19 . 1 1 94 94 ASP C C 94 173.021 173.021 175.370 -2.349 25536 9332 1 19 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.091 0.498 25536 9333 1 19 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.706 -0.261 25536 9334 1 19 . 1 1 94 94 ASP H H 94 7.399 7.399 7.684 -0.285 25536 9335 1 19 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.573 -0.155 25536 9336 1 19 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.788 -0.141 25536 9337 1 19 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.722 0.038 25536 9338 1 19 . 1 1 96 96 SER N N 96 118.790 118.790 116.576 2.214 25536 9339 1 19 . 1 1 96 96 SER HA H 96 4.219 4.219 4.175 0.044 25536 9340 1 19 . 1 1 96 96 SER C C 96 173.615 173.615 174.018 -0.403 25536 9341 1 19 . 1 1 96 96 SER CA C 96 64.525 64.525 63.553 0.972 25536 9342 1 19 . 1 1 96 96 SER CB C 96 61.994 61.994 61.088 0.906 25536 9343 1 19 . 1 1 96 96 SER H H 96 8.052 8.052 8.566 -0.514 25536 9344 1 19 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.346 0.001 25536 9345 1 19 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.236 0.780 25536 9346 1 19 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.363 0.249 25536 9347 1 19 . 1 1 98 98 LEU N N 98 117.938 117.938 119.931 -1.993 25536 9348 1 19 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.835 -0.239 25536 9349 1 19 . 1 1 98 98 LEU C C 98 178.196 178.196 179.146 -0.950 25536 9350 1 19 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.697 -0.413 25536 9351 1 19 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.193 0.216 25536 9352 1 19 . 1 1 98 98 LEU H H 98 7.076 7.076 7.815 -0.739 25536 9353 1 19 . 1 1 99 99 TYR N N 99 117.957 117.957 117.481 0.476 25536 9354 1 19 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.032 0.118 25536 9355 1 19 . 1 1 99 99 TYR C C 99 178.767 178.767 178.208 0.559 25536 9356 1 19 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.893 -0.670 25536 9357 1 19 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.583 -0.545 25536 9358 1 19 . 1 1 99 99 TYR H H 99 7.547 7.547 7.734 -0.187 25536 9359 1 19 . 1 1 100 100 ASP N N 100 119.536 119.536 120.447 -0.911 25536 9360 1 19 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.377 -0.051 25536 9361 1 19 . 1 1 100 100 ASP C C 100 177.737 177.737 178.138 -0.401 25536 9362 1 19 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.226 0.649 25536 9363 1 19 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.941 0.200 25536 9364 1 19 . 1 1 100 100 ASP H H 100 8.292 8.292 7.992 0.300 25536 9365 1 19 . 1 1 101 101 MET N N 101 118.757 118.757 117.858 0.899 25536 9366 1 19 . 1 1 101 101 MET HA H 101 3.964 3.964 4.172 -0.208 25536 9367 1 19 . 1 1 101 101 MET C C 101 180.006 180.006 177.146 2.860 25536 9368 1 19 . 1 1 101 101 MET CA C 101 59.710 59.710 58.598 1.112 25536 9369 1 19 . 1 1 101 101 MET CB C 101 31.642 31.642 32.660 -1.018 25536 9370 1 19 . 1 1 101 101 MET H H 101 7.226 7.226 7.737 -0.511 25536 9371 1 19 . 1 1 102 102 LEU N N 102 121.624 121.624 118.991 2.633 25536 9372 1 19 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.099 -0.403 25536 9373 1 19 . 1 1 102 102 LEU C C 102 178.566 178.566 178.837 -0.271 25536 9374 1 19 . 1 1 102 102 LEU CA C 102 58.927 58.927 56.914 2.013 25536 9375 1 19 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.775 -0.290 25536 9376 1 19 . 1 1 102 102 LEU H H 102 8.472 8.472 7.826 0.646 25536 9377 1 19 . 1 1 103 103 ARG N N 103 117.111 117.111 119.919 -2.808 25536 9378 1 19 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.205 -0.235 25536 9379 1 19 . 1 1 103 103 ARG C C 103 178.818 178.818 177.787 1.031 25536 9380 1 19 . 1 1 103 103 ARG CA C 103 59.503 59.503 58.882 0.621 25536 9381 1 19 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.022 0.273 25536 9382 1 19 . 1 1 103 103 ARG H H 103 7.932 7.932 8.628 -0.696 25536 9383 1 19 . 1 1 104 104 LYS N N 104 114.172 114.172 115.683 -1.511 25536 9384 1 19 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.346 -0.124 25536 9385 1 19 . 1 1 104 104 LYS C C 104 177.556 177.556 177.700 -0.144 25536 9386 1 19 . 1 1 104 104 LYS CA C 104 57.960 57.960 57.021 0.939 25536 9387 1 19 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.342 1.885 25536 9388 1 19 . 1 1 104 104 LYS H H 104 7.157 7.157 7.830 -0.673 25536 9389 1 19 . 1 1 105 105 ASN N N 105 114.145 114.145 116.959 -2.814 25536 9390 1 19 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.820 -0.089 25536 9391 1 19 . 1 1 105 105 ASN C C 105 172.822 172.822 174.577 -1.755 25536 9392 1 19 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.672 0.171 25536 9393 1 19 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.922 1.723 25536 9394 1 19 . 1 1 105 105 ASN H H 105 7.665 7.665 7.960 -0.295 25536 9395 1 19 . 1 1 106 106 LEU N N 106 118.600 118.600 119.771 -1.171 25536 9396 1 19 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.799 -0.128 25536 9397 1 19 . 1 1 106 106 LEU C C 106 175.658 175.658 174.463 1.195 25536 9398 1 19 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.368 -0.210 25536 9399 1 19 . 1 1 106 106 LEU CB C 106 43.565 43.565 45.212 -1.647 25536 9400 1 19 . 1 1 106 106 LEU H H 106 7.439 7.439 8.139 -0.700 25536 9401 1 19 . 1 1 107 107 VAL N N 107 122.739 122.739 123.931 -1.192 25536 9402 1 19 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.329 -0.121 25536 9403 1 19 . 1 1 107 107 VAL C C 107 176.054 176.054 174.716 1.338 25536 9404 1 19 . 1 1 107 107 VAL CA C 107 62.216 62.216 61.347 0.869 25536 9405 1 19 . 1 1 107 107 VAL CB C 107 33.580 33.580 33.898 -0.318 25536 9406 1 19 . 1 1 107 107 VAL H H 107 8.182 8.182 8.093 0.089 25536 9407 1 19 . 1 1 108 108 THR N N 108 120.854 120.854 117.511 3.343 25536 9408 1 19 . 1 1 108 108 THR HA H 108 4.336 4.336 4.523 -0.187 25536 9409 1 19 . 1 1 108 108 THR C C 108 174.216 174.216 175.243 -1.027 25536 9410 1 19 . 1 1 108 108 THR CA C 108 62.726 62.726 60.588 2.138 25536 9411 1 19 . 1 1 108 108 THR CB C 108 70.080 70.080 70.176 -0.096 25536 9412 1 19 . 1 1 108 108 THR H H 108 8.524 8.524 8.027 0.497 25536 9413 1 19 . 1 1 109 109 LEU N N 109 125.529 125.529 124.425 1.104 25536 9414 1 19 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.500 -0.148 25536 9415 1 19 . 1 1 109 109 LEU C C 109 176.523 176.523 177.040 -0.517 25536 9416 1 19 . 1 1 109 109 LEU CA C 109 55.047 55.047 54.865 0.182 25536 9417 1 19 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.999 0.591 25536 9418 1 19 . 1 1 109 109 LEU H H 109 8.313 8.313 8.559 -0.246 25536 9419 1 19 . 1 1 110 110 ALA N N 110 125.099 125.099 123.327 1.772 25536 9420 1 19 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.213 0.153 25536 9421 1 19 . 1 1 110 110 ALA C C 110 176.847 176.847 176.730 0.117 25536 9422 1 19 . 1 1 110 110 ALA CA C 110 52.628 52.628 53.203 -0.575 25536 9423 1 19 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.408 0.298 25536 9424 1 19 . 1 1 110 110 ALA H H 110 8.257 8.257 7.532 0.725 25536 9425 1 20 . 1 1 24 24 ILE N N 24 120.668 120.668 119.728 0.940 25536 9426 1 20 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.477 0.670 25536 9427 1 20 . 1 1 24 24 ILE C C 24 175.650 175.650 175.536 0.114 25536 9428 1 20 . 1 1 24 24 ILE CA C 24 61.342 61.342 63.119 -1.777 25536 9429 1 20 . 1 1 24 24 ILE CB C 24 39.067 39.067 37.274 1.793 25536 9430 1 20 . 1 1 24 24 ILE H H 24 8.119 8.119 8.350 -0.231 25536 9431 1 20 . 1 1 25 25 ASN N N 25 122.032 122.032 117.052 4.980 25536 9432 1 20 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.289 0.415 25536 9433 1 20 . 1 1 25 25 ASN C C 25 174.775 174.775 173.957 0.818 25536 9434 1 20 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.850 -0.120 25536 9435 1 20 . 1 1 25 25 ASN CB C 25 39.406 39.406 37.722 1.683 25536 9436 1 20 . 1 1 25 25 ASN H H 25 8.446 8.446 8.339 0.107 25536 9437 1 20 . 1 1 26 26 GLN N N 26 118.655 118.655 116.711 1.944 25536 9438 1 20 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.836 -0.249 25536 9439 1 20 . 1 1 26 26 GLN C C 26 175.291 175.291 174.446 0.845 25536 9440 1 20 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.572 1.130 25536 9441 1 20 . 1 1 26 26 GLN CB C 26 32.258 32.258 32.288 -0.030 25536 9442 1 20 . 1 1 26 26 GLN H H 26 8.215 8.215 7.825 0.390 25536 9443 1 20 . 1 1 27 27 VAL N N 27 113.749 113.749 116.071 -2.322 25536 9444 1 20 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.528 0.339 25536 9445 1 20 . 1 1 27 27 VAL C C 27 173.900 173.900 174.552 -0.652 25536 9446 1 20 . 1 1 27 27 VAL CA C 27 59.116 59.116 59.595 -0.479 25536 9447 1 20 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.441 1.663 25536 9448 1 20 . 1 1 27 27 VAL H H 27 9.417 9.417 8.488 0.929 25536 9449 1 20 . 1 1 28 28 ARG N N 28 121.515 121.515 120.979 0.536 25536 9450 1 20 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.253 0.204 25536 9451 1 20 . 1 1 28 28 ARG C C 28 175.090 175.090 175.284 -0.194 25536 9452 1 20 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.499 -0.928 25536 9453 1 20 . 1 1 28 28 ARG CB C 28 33.674 33.674 30.323 3.351 25536 9454 1 20 . 1 1 28 28 ARG H H 28 8.901 8.901 8.363 0.538 25536 9455 1 20 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.567 0.428 25536 9456 1 20 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.194 -0.142 25536 9457 1 20 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.709 -0.448 25536 9458 1 20 . 1 1 30 30 LYS N N 30 121.291 121.291 118.972 2.319 25536 9459 1 20 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.170 0.031 25536 9460 1 20 . 1 1 30 30 LYS C C 30 177.557 177.557 178.623 -1.066 25536 9461 1 20 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.259 1.463 25536 9462 1 20 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.461 0.534 25536 9463 1 20 . 1 1 30 30 LYS H H 30 8.476 8.476 8.349 0.127 25536 9464 1 20 . 1 1 31 31 LEU N N 31 121.578 121.578 123.766 -2.188 25536 9465 1 20 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.083 -0.028 25536 9466 1 20 . 1 1 31 31 LEU C C 31 174.261 174.261 176.630 -2.369 25536 9467 1 20 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.913 0.284 25536 9468 1 20 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.680 0.170 25536 9469 1 20 . 1 1 31 31 LEU H H 31 8.584 8.584 8.898 -0.314 25536 9470 1 20 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.205 -0.072 25536 9471 1 20 . 1 1 32 32 PRO CA C 32 66.578 66.578 66.019 0.559 25536 9472 1 20 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.262 0.215 25536 9473 1 20 . 1 1 33 33 LEU N N 33 113.190 113.190 117.952 -4.762 25536 9474 1 20 . 1 1 33 33 LEU HA H 33 3.975 3.975 3.953 0.022 25536 9475 1 20 . 1 1 33 33 LEU C C 33 177.726 177.726 178.672 -0.946 25536 9476 1 20 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.535 -1.395 25536 9477 1 20 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.726 0.121 25536 9478 1 20 . 1 1 33 33 LEU H H 33 6.605 6.605 7.498 -0.893 25536 9479 1 20 . 1 1 34 34 LEU N N 34 121.683 121.683 120.132 1.551 25536 9480 1 20 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.884 -0.502 25536 9481 1 20 . 1 1 34 34 LEU C C 34 177.321 177.321 178.546 -1.225 25536 9482 1 20 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.920 0.316 25536 9483 1 20 . 1 1 34 34 LEU CB C 34 41.911 41.911 40.988 0.923 25536 9484 1 20 . 1 1 34 34 LEU H H 34 8.399 8.399 8.471 -0.072 25536 9485 1 20 . 1 1 35 35 LYS N N 35 114.524 114.524 118.781 -4.257 25536 9486 1 20 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.001 -0.208 25536 9487 1 20 . 1 1 35 35 LYS C C 35 180.207 180.207 178.995 1.212 25536 9488 1 20 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.461 0.610 25536 9489 1 20 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.961 0.508 25536 9490 1 20 . 1 1 35 35 LYS H H 35 7.940 7.940 8.364 -0.424 25536 9491 1 20 . 1 1 36 36 ILE N N 36 119.857 119.857 119.702 0.155 25536 9492 1 20 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.766 -0.462 25536 9493 1 20 . 1 1 36 36 ILE C C 36 176.418 176.418 178.263 -1.845 25536 9494 1 20 . 1 1 36 36 ILE CA C 36 64.480 64.480 63.648 0.832 25536 9495 1 20 . 1 1 36 36 ILE CB C 36 37.604 37.604 36.783 0.821 25536 9496 1 20 . 1 1 36 36 ILE H H 36 6.742 6.742 7.464 -0.722 25536 9497 1 20 . 1 1 37 37 LEU N N 37 116.695 116.695 119.694 -2.999 25536 9498 1 20 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.905 -0.383 25536 9499 1 20 . 1 1 37 37 LEU C C 37 180.263 180.263 179.591 0.672 25536 9500 1 20 . 1 1 37 37 LEU CA C 37 58.280 58.280 57.946 0.334 25536 9501 1 20 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.764 -1.626 25536 9502 1 20 . 1 1 37 37 LEU H H 37 7.595 7.595 7.724 -0.129 25536 9503 1 20 . 1 1 38 38 HIS N N 38 117.829 117.829 117.122 0.707 25536 9504 1 20 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.242 0.440 25536 9505 1 20 . 1 1 38 38 HIS C C 38 180.133 180.133 178.093 2.040 25536 9506 1 20 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.418 -1.127 25536 9507 1 20 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.413 0.997 25536 9508 1 20 . 1 1 38 38 HIS H H 38 8.955 8.955 8.723 0.232 25536 9509 1 20 . 1 1 39 39 ALA N N 39 124.006 124.006 122.357 1.649 25536 9510 1 20 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.212 0.034 25536 9511 1 20 . 1 1 39 39 ALA C C 39 178.835 178.835 178.530 0.305 25536 9512 1 20 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.571 0.514 25536 9513 1 20 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.477 -0.365 25536 9514 1 20 . 1 1 39 39 ALA H H 39 7.945 7.945 8.312 -0.367 25536 9515 1 20 . 1 1 40 40 ALA N N 40 118.201 118.201 119.115 -0.914 25536 9516 1 20 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.339 0.082 25536 9517 1 20 . 1 1 40 40 ALA C C 40 176.261 176.261 177.438 -1.177 25536 9518 1 20 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.326 -0.190 25536 9519 1 20 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.295 0.817 25536 9520 1 20 . 1 1 40 40 ALA H H 40 7.665 7.665 7.689 -0.024 25536 9521 1 20 . 1 1 41 41 GLY N N 41 103.920 103.920 107.240 -3.320 25536 9522 1 20 . 1 1 41 41 GLY C C 41 174.412 174.412 173.598 0.814 25536 9523 1 20 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.624 0.342 25536 9524 1 20 . 1 1 41 41 GLY H H 41 7.683 7.683 7.637 0.046 25536 9525 1 20 . 1 1 42 42 ALA N N 42 123.582 123.582 122.283 1.299 25536 9526 1 20 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.687 -0.052 25536 9527 1 20 . 1 1 42 42 ALA C C 42 175.772 175.772 176.879 -1.107 25536 9528 1 20 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.016 1.664 25536 9529 1 20 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.361 -0.005 25536 9530 1 20 . 1 1 42 42 ALA H H 42 7.578 7.578 7.779 -0.201 25536 9531 1 20 . 1 1 43 43 GLN N N 43 116.996 116.996 120.955 -3.959 25536 9532 1 20 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.481 -0.132 25536 9533 1 20 . 1 1 43 43 GLN C C 43 175.528 175.528 175.646 -0.118 25536 9534 1 20 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.339 -0.688 25536 9535 1 20 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.031 3.383 25536 9536 1 20 . 1 1 43 43 GLN H H 43 8.481 8.481 8.546 -0.065 25536 9537 1 20 . 1 1 44 44 GLY N N 44 108.128 108.128 107.586 0.542 25536 9538 1 20 . 1 1 44 44 GLY C C 44 173.892 173.892 172.717 1.175 25536 9539 1 20 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.214 -0.516 25536 9540 1 20 . 1 1 44 44 GLY H H 44 8.510 8.510 7.760 0.750 25536 9541 1 20 . 1 1 45 45 GLU N N 45 114.113 114.113 118.130 -4.017 25536 9542 1 20 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.339 0.269 25536 9543 1 20 . 1 1 45 45 GLU C C 45 174.007 174.007 174.885 -0.878 25536 9544 1 20 . 1 1 45 45 GLU CA C 45 56.829 56.829 56.293 0.536 25536 9545 1 20 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.142 1.909 25536 9546 1 20 . 1 1 45 45 GLU H H 45 8.245 8.245 8.425 -0.180 25536 9547 1 20 . 1 1 46 46 MET N N 46 115.322 115.322 118.628 -3.306 25536 9548 1 20 . 1 1 46 46 MET HA H 46 5.051 5.051 4.284 0.767 25536 9549 1 20 . 1 1 46 46 MET C C 46 174.637 174.637 174.875 -0.238 25536 9550 1 20 . 1 1 46 46 MET CA C 46 54.264 54.264 55.031 -0.767 25536 9551 1 20 . 1 1 46 46 MET CB C 46 35.854 35.854 33.363 2.491 25536 9552 1 20 . 1 1 46 46 MET H H 46 6.872 6.872 7.225 -0.353 25536 9553 1 20 . 1 1 47 47 PHE N N 47 119.008 119.008 119.578 -0.570 25536 9554 1 20 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.188 -0.094 25536 9555 1 20 . 1 1 47 47 PHE C C 47 175.742 175.742 174.927 0.815 25536 9556 1 20 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.619 1.719 25536 9557 1 20 . 1 1 47 47 PHE CB C 47 46.912 46.912 40.809 6.103 25536 9558 1 20 . 1 1 47 47 PHE H H 47 8.623 8.623 8.802 -0.179 25536 9559 1 20 . 1 1 48 48 THR N N 48 110.544 110.544 111.720 -1.176 25536 9560 1 20 . 1 1 48 48 THR HA H 48 4.990 4.990 4.587 0.403 25536 9561 1 20 . 1 1 48 48 THR C C 48 176.666 176.666 175.908 0.758 25536 9562 1 20 . 1 1 48 48 THR CA C 48 61.095 61.095 60.509 0.586 25536 9563 1 20 . 1 1 48 48 THR CB C 48 71.136 71.136 70.933 0.203 25536 9564 1 20 . 1 1 48 48 THR H H 48 9.108 9.108 9.287 -0.179 25536 9565 1 20 . 1 1 49 49 VAL N N 49 121.588 121.588 122.475 -0.887 25536 9566 1 20 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.566 -0.185 25536 9567 1 20 . 1 1 49 49 VAL C C 49 177.726 177.726 176.945 0.781 25536 9568 1 20 . 1 1 49 49 VAL CA C 49 68.241 68.241 66.791 1.450 25536 9569 1 20 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.918 -0.363 25536 9570 1 20 . 1 1 49 49 VAL H H 49 9.044 9.044 9.108 -0.064 25536 9571 1 20 . 1 1 50 50 LYS N N 50 118.341 118.341 115.794 2.547 25536 9572 1 20 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.073 -0.114 25536 9573 1 20 . 1 1 50 50 LYS C C 50 180.060 180.060 177.962 2.098 25536 9574 1 20 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.172 1.183 25536 9575 1 20 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.573 1.266 25536 9576 1 20 . 1 1 50 50 LYS H H 50 8.132 8.132 8.370 -0.238 25536 9577 1 20 . 1 1 51 51 GLU N N 51 119.521 119.521 120.354 -0.833 25536 9578 1 20 . 1 1 51 51 GLU HA H 51 4.046 4.046 4.006 0.040 25536 9579 1 20 . 1 1 51 51 GLU C C 51 178.583 178.583 178.405 0.178 25536 9580 1 20 . 1 1 51 51 GLU CA C 51 59.903 59.903 59.008 0.895 25536 9581 1 20 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.078 1.378 25536 9582 1 20 . 1 1 51 51 GLU H H 51 7.877 7.877 7.538 0.339 25536 9583 1 20 . 1 1 52 52 VAL N N 52 119.044 119.044 118.624 0.420 25536 9584 1 20 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.563 -0.313 25536 9585 1 20 . 1 1 52 52 VAL C C 52 177.546 177.546 177.903 -0.357 25536 9586 1 20 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.953 1.948 25536 9587 1 20 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.074 0.303 25536 9588 1 20 . 1 1 52 52 VAL H H 52 8.245 8.245 8.521 -0.276 25536 9589 1 20 . 1 1 53 53 MET N N 53 114.669 114.669 116.355 -1.686 25536 9590 1 20 . 1 1 53 53 MET HA H 53 4.198 4.198 3.939 0.259 25536 9591 1 20 . 1 1 53 53 MET C C 53 178.699 178.699 176.937 1.762 25536 9592 1 20 . 1 1 53 53 MET CA C 53 57.748 57.748 58.822 -1.074 25536 9593 1 20 . 1 1 53 53 MET CB C 53 32.680 32.680 31.889 0.791 25536 9594 1 20 . 1 1 53 53 MET H H 53 8.188 8.188 7.900 0.288 25536 9595 1 20 . 1 1 54 54 HIS N N 54 118.909 118.909 120.104 -1.195 25536 9596 1 20 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.170 -0.053 25536 9597 1 20 . 1 1 54 54 HIS C C 54 178.675 178.675 177.036 1.639 25536 9598 1 20 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.341 -0.069 25536 9599 1 20 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.458 1.139 25536 9600 1 20 . 1 1 54 54 HIS H H 54 8.091 8.091 7.298 0.793 25536 9601 1 20 . 1 1 55 55 TYR N N 55 116.769 116.769 116.955 -0.186 25536 9602 1 20 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.190 -0.338 25536 9603 1 20 . 1 1 55 55 TYR C C 55 177.794 177.794 177.856 -0.062 25536 9604 1 20 . 1 1 55 55 TYR CA C 55 63.717 63.717 61.165 2.552 25536 9605 1 20 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.181 1.948 25536 9606 1 20 . 1 1 55 55 TYR H H 55 8.468 8.468 7.628 0.840 25536 9607 1 20 . 1 1 56 56 LEU N N 56 120.819 120.819 120.384 0.435 25536 9608 1 20 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.882 -0.073 25536 9609 1 20 . 1 1 56 56 LEU C C 56 178.484 178.484 179.053 -0.569 25536 9610 1 20 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.563 1.058 25536 9611 1 20 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.105 1.476 25536 9612 1 20 . 1 1 56 56 LEU H H 56 8.455 8.455 7.506 0.949 25536 9613 1 20 . 1 1 57 57 GLY N N 57 104.896 104.896 106.959 -2.063 25536 9614 1 20 . 1 1 57 57 GLY C C 57 175.647 175.647 175.775 -0.128 25536 9615 1 20 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.301 -0.062 25536 9616 1 20 . 1 1 57 57 GLY H H 57 7.691 7.691 8.029 -0.338 25536 9617 1 20 . 1 1 58 58 GLN N N 58 119.080 119.080 121.912 -2.832 25536 9618 1 20 . 1 1 58 58 GLN HA H 58 3.812 3.812 4.002 -0.190 25536 9619 1 20 . 1 1 58 58 GLN C C 58 177.429 177.429 177.724 -0.295 25536 9620 1 20 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.491 0.187 25536 9621 1 20 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.422 0.454 25536 9622 1 20 . 1 1 58 58 GLN H H 58 7.704 7.704 8.039 -0.335 25536 9623 1 20 . 1 1 59 59 TYR N N 59 120.995 120.995 122.415 -1.420 25536 9624 1 20 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.210 -0.406 25536 9625 1 20 . 1 1 59 59 TYR C C 59 176.215 176.215 177.467 -1.252 25536 9626 1 20 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.053 0.512 25536 9627 1 20 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.641 -0.022 25536 9628 1 20 . 1 1 59 59 TYR H H 59 8.500 8.500 8.166 0.334 25536 9629 1 20 . 1 1 60 60 ILE N N 60 116.532 116.532 119.516 -2.984 25536 9630 1 20 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.672 -0.369 25536 9631 1 20 . 1 1 60 60 ILE C C 60 177.952 177.952 178.228 -0.276 25536 9632 1 20 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.765 -0.218 25536 9633 1 20 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.053 0.378 25536 9634 1 20 . 1 1 60 60 ILE H H 60 7.585 7.585 8.805 -1.220 25536 9635 1 20 . 1 1 61 61 MET N N 61 115.556 115.556 119.272 -3.716 25536 9636 1 20 . 1 1 61 61 MET HA H 61 4.547 4.547 4.368 0.179 25536 9637 1 20 . 1 1 61 61 MET C C 61 180.579 180.579 178.226 2.353 25536 9638 1 20 . 1 1 61 61 MET CA C 61 57.563 57.563 58.181 -0.618 25536 9639 1 20 . 1 1 61 61 MET CB C 61 31.473 31.473 32.595 -1.122 25536 9640 1 20 . 1 1 61 61 MET H H 61 7.707 7.707 8.088 -0.381 25536 9641 1 20 . 1 1 62 62 VAL N N 62 120.872 120.872 119.619 1.253 25536 9642 1 20 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.758 0.070 25536 9643 1 20 . 1 1 62 62 VAL C C 62 178.786 178.786 177.599 1.187 25536 9644 1 20 . 1 1 62 62 VAL CA C 62 66.112 66.112 65.018 1.094 25536 9645 1 20 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.194 -0.203 25536 9646 1 20 . 1 1 62 62 VAL H H 62 9.009 9.009 8.384 0.625 25536 9647 1 20 . 1 1 63 63 LYS N N 63 116.652 116.652 117.684 -1.032 25536 9648 1 20 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.149 -0.092 25536 9649 1 20 . 1 1 63 63 LYS C C 63 174.784 174.784 175.751 -0.967 25536 9650 1 20 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.668 0.415 25536 9651 1 20 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.030 -0.569 25536 9652 1 20 . 1 1 63 63 LYS H H 63 7.812 7.812 8.077 -0.265 25536 9653 1 20 . 1 1 64 64 GLN N N 64 115.445 115.445 115.047 0.398 25536 9654 1 20 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.826 -0.220 25536 9655 1 20 . 1 1 64 64 GLN C C 64 175.550 175.550 175.009 0.541 25536 9656 1 20 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.433 0.546 25536 9657 1 20 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.409 0.839 25536 9658 1 20 . 1 1 64 64 GLN H H 64 7.642 7.642 7.904 -0.262 25536 9659 1 20 . 1 1 65 65 LEU N N 65 115.724 115.724 116.989 -1.265 25536 9660 1 20 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.352 0.105 25536 9661 1 20 . 1 1 65 65 LEU C C 65 175.979 175.979 176.506 -0.527 25536 9662 1 20 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.355 0.299 25536 9663 1 20 . 1 1 65 65 LEU CB C 65 41.950 41.950 42.340 -0.390 25536 9664 1 20 . 1 1 65 65 LEU H H 65 8.097 8.097 7.488 0.609 25536 9665 1 20 . 1 1 66 66 TYR N N 66 112.953 112.953 114.898 -1.945 25536 9666 1 20 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.016 0.276 25536 9667 1 20 . 1 1 66 66 TYR C C 66 173.941 173.941 175.434 -1.493 25536 9668 1 20 . 1 1 66 66 TYR CA C 66 54.629 54.629 54.447 0.182 25536 9669 1 20 . 1 1 66 66 TYR CB C 66 39.748 39.748 39.550 0.198 25536 9670 1 20 . 1 1 66 66 TYR H H 66 6.856 6.856 6.724 0.132 25536 9671 1 20 . 1 1 67 67 ASP N N 67 122.196 122.196 121.565 0.631 25536 9672 1 20 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.732 -0.294 25536 9673 1 20 . 1 1 67 67 ASP C C 67 176.779 176.779 177.721 -0.942 25536 9674 1 20 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.879 0.101 25536 9675 1 20 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.495 0.038 25536 9676 1 20 . 1 1 67 67 ASP H H 67 8.324 8.324 8.224 0.100 25536 9677 1 20 . 1 1 68 68 GLN N N 68 123.042 123.042 123.525 -0.483 25536 9678 1 20 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.073 -0.187 25536 9679 1 20 . 1 1 68 68 GLN C C 68 177.122 177.122 177.092 0.030 25536 9680 1 20 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.423 0.607 25536 9681 1 20 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.124 0.963 25536 9682 1 20 . 1 1 68 68 GLN H H 68 8.563 8.563 8.758 -0.195 25536 9683 1 20 . 1 1 69 69 GLN N N 69 115.263 115.263 117.199 -1.936 25536 9684 1 20 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.336 0.021 25536 9685 1 20 . 1 1 69 69 GLN C C 69 176.272 176.272 176.024 0.248 25536 9686 1 20 . 1 1 69 69 GLN CA C 69 57.129 57.129 57.024 0.105 25536 9687 1 20 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.762 0.361 25536 9688 1 20 . 1 1 69 69 GLN H H 69 8.356 8.356 8.392 -0.036 25536 9689 1 20 . 1 1 70 70 GLU N N 70 122.549 122.549 119.194 3.355 25536 9690 1 20 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.503 0.016 25536 9691 1 20 . 1 1 70 70 GLU C C 70 175.953 175.953 175.728 0.225 25536 9692 1 20 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.560 -0.603 25536 9693 1 20 . 1 1 70 70 GLU CB C 70 29.560 29.560 30.178 -0.618 25536 9694 1 20 . 1 1 70 70 GLU H H 70 8.227 8.227 7.575 0.652 25536 9695 1 20 . 1 1 71 71 GLN N N 71 118.815 118.815 121.524 -2.709 25536 9696 1 20 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.883 0.669 25536 9697 1 20 . 1 1 71 71 GLN C C 71 174.842 174.842 176.443 -1.601 25536 9698 1 20 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.336 1.361 25536 9699 1 20 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.488 -0.558 25536 9700 1 20 . 1 1 71 71 GLN H H 71 8.253 8.253 8.731 -0.478 25536 9701 1 20 . 1 1 72 72 HIS N N 72 111.141 111.141 110.959 0.182 25536 9702 1 20 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.488 -0.315 25536 9703 1 20 . 1 1 72 72 HIS C C 72 173.749 173.749 174.693 -0.944 25536 9704 1 20 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.300 0.959 25536 9705 1 20 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.601 1.471 25536 9706 1 20 . 1 1 72 72 HIS H H 72 7.412 7.412 7.388 0.024 25536 9707 1 20 . 1 1 73 73 MET N N 73 119.350 119.350 121.303 -1.953 25536 9708 1 20 . 1 1 73 73 MET HA H 73 4.584 4.584 4.591 -0.007 25536 9709 1 20 . 1 1 73 73 MET C C 73 174.311 174.311 173.918 0.393 25536 9710 1 20 . 1 1 73 73 MET CA C 73 53.186 53.186 54.196 -1.010 25536 9711 1 20 . 1 1 73 73 MET CB C 73 31.731 31.731 33.654 -1.923 25536 9712 1 20 . 1 1 73 73 MET H H 73 7.766 7.766 7.305 0.461 25536 9713 1 20 . 1 1 74 74 VAL N N 74 122.542 122.542 126.215 -3.673 25536 9714 1 20 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.190 -0.242 25536 9715 1 20 . 1 1 74 74 VAL C C 74 174.756 174.756 173.874 0.882 25536 9716 1 20 . 1 1 74 74 VAL CA C 74 61.622 61.622 61.035 0.588 25536 9717 1 20 . 1 1 74 74 VAL CB C 74 32.814 32.814 33.313 -0.499 25536 9718 1 20 . 1 1 74 74 VAL H H 74 8.456 8.456 8.600 -0.144 25536 9719 1 20 . 1 1 75 75 TYR N N 75 125.680 125.680 124.765 0.915 25536 9720 1 20 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.127 -0.368 25536 9721 1 20 . 1 1 75 75 TYR C C 75 174.923 174.923 175.214 -0.291 25536 9722 1 20 . 1 1 75 75 TYR CA C 75 57.812 57.812 56.964 0.848 25536 9723 1 20 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.642 0.207 25536 9724 1 20 . 1 1 75 75 TYR H H 75 8.213 8.213 8.945 -0.732 25536 9725 1 20 . 1 1 76 76 CYS N N 76 116.702 116.702 120.166 -3.464 25536 9726 1 20 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.571 0.168 25536 9727 1 20 . 1 1 76 76 CYS C C 76 174.231 174.231 175.587 -1.356 25536 9728 1 20 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.981 -2.878 25536 9729 1 20 . 1 1 76 76 CYS CB C 76 29.697 29.697 28.002 1.695 25536 9730 1 20 . 1 1 76 76 CYS H H 76 8.307 8.307 8.345 -0.038 25536 9731 1 20 . 1 1 77 77 GLY N N 77 111.569 111.569 109.235 2.334 25536 9732 1 20 . 1 1 77 77 GLY C C 77 174.662 174.662 174.844 -0.182 25536 9733 1 20 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.706 0.443 25536 9734 1 20 . 1 1 77 77 GLY H H 77 8.484 8.484 7.599 0.885 25536 9735 1 20 . 1 1 78 78 GLY N N 78 113.022 113.022 113.235 -0.213 25536 9736 1 20 . 1 1 78 78 GLY C C 78 172.811 172.811 174.230 -1.419 25536 9737 1 20 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.849 0.911 25536 9738 1 20 . 1 1 78 78 GLY H H 78 8.889 8.889 8.587 0.302 25536 9739 1 20 . 1 1 79 79 ASP N N 79 119.431 119.431 120.494 -1.063 25536 9740 1 20 . 1 1 79 79 ASP HA H 79 4.888 4.888 5.172 -0.284 25536 9741 1 20 . 1 1 79 79 ASP C C 79 176.302 176.302 175.903 0.399 25536 9742 1 20 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.313 -0.220 25536 9743 1 20 . 1 1 79 79 ASP CB C 79 47.264 47.264 42.761 4.503 25536 9744 1 20 . 1 1 79 79 ASP H H 79 7.789 7.789 7.813 -0.024 25536 9745 1 20 . 1 1 80 80 LEU N N 80 128.421 128.421 125.003 3.418 25536 9746 1 20 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.194 -0.130 25536 9747 1 20 . 1 1 80 80 LEU C C 80 179.059 179.059 178.116 0.943 25536 9748 1 20 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.919 0.884 25536 9749 1 20 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.313 0.090 25536 9750 1 20 . 1 1 80 80 LEU H H 80 8.549 8.549 9.036 -0.487 25536 9751 1 20 . 1 1 81 81 LEU N N 81 118.633 118.633 119.740 -1.107 25536 9752 1 20 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.919 -0.052 25536 9753 1 20 . 1 1 81 81 LEU C C 81 178.542 178.542 178.398 0.144 25536 9754 1 20 . 1 1 81 81 LEU CA C 81 58.771 58.771 57.986 0.785 25536 9755 1 20 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.104 1.545 25536 9756 1 20 . 1 1 81 81 LEU H H 81 9.973 9.973 7.625 2.348 25536 9757 1 20 . 1 1 82 82 GLY N N 82 105.564 105.564 105.829 -0.265 25536 9758 1 20 . 1 1 82 82 GLY C C 82 176.907 176.907 175.759 1.148 25536 9759 1 20 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.073 0.990 25536 9760 1 20 . 1 1 82 82 GLY H H 82 7.559 7.559 7.684 -0.125 25536 9761 1 20 . 1 1 83 83 GLU N N 83 121.706 121.706 122.579 -0.873 25536 9762 1 20 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.087 -0.105 25536 9763 1 20 . 1 1 83 83 GLU C C 83 179.215 179.215 178.801 0.414 25536 9764 1 20 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.863 0.298 25536 9765 1 20 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.589 -0.096 25536 9766 1 20 . 1 1 83 83 GLU H H 83 7.536 7.536 8.133 -0.597 25536 9767 1 20 . 1 1 84 84 LEU N N 84 118.455 118.455 120.549 -2.094 25536 9768 1 20 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.095 -0.071 25536 9769 1 20 . 1 1 84 84 LEU C C 84 178.842 178.842 178.171 0.671 25536 9770 1 20 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.040 0.435 25536 9771 1 20 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.039 0.447 25536 9772 1 20 . 1 1 84 84 LEU H H 84 7.701 7.701 8.088 -0.387 25536 9773 1 20 . 1 1 85 85 LEU N N 85 115.271 115.271 116.763 -1.492 25536 9774 1 20 . 1 1 85 85 LEU HA H 85 3.776 3.776 3.936 -0.160 25536 9775 1 20 . 1 1 85 85 LEU C C 85 177.773 177.773 178.136 -0.363 25536 9776 1 20 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.854 -0.479 25536 9777 1 20 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.549 1.344 25536 9778 1 20 . 1 1 85 85 LEU H H 85 8.117 8.117 8.250 -0.133 25536 9779 1 20 . 1 1 86 86 GLY N N 86 107.216 107.216 104.264 2.952 25536 9780 1 20 . 1 1 86 86 GLY C C 86 174.090 174.090 173.934 0.156 25536 9781 1 20 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.371 0.944 25536 9782 1 20 . 1 1 86 86 GLY H H 86 7.983 7.983 8.218 -0.235 25536 9783 1 20 . 1 1 87 87 ARG N N 87 113.296 113.296 118.075 -4.779 25536 9784 1 20 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.735 -0.081 25536 9785 1 20 . 1 1 87 87 ARG C C 87 174.720 174.720 174.936 -0.216 25536 9786 1 20 . 1 1 87 87 ARG CA C 87 54.279 54.279 53.582 0.697 25536 9787 1 20 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.813 2.582 25536 9788 1 20 . 1 1 87 87 ARG H H 87 7.411 7.411 7.596 -0.185 25536 9789 1 20 . 1 1 88 88 GLN N N 88 115.575 115.575 120.505 -4.930 25536 9790 1 20 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.317 -0.264 25536 9791 1 20 . 1 1 88 88 GLN C C 88 175.946 175.946 175.080 0.866 25536 9792 1 20 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.074 0.338 25536 9793 1 20 . 1 1 88 88 GLN CB C 88 29.790 29.790 28.869 0.921 25536 9794 1 20 . 1 1 88 88 GLN H H 88 8.653 8.653 8.754 -0.101 25536 9795 1 20 . 1 1 89 89 SER N N 89 110.451 110.451 112.485 -2.034 25536 9796 1 20 . 1 1 89 89 SER HA H 89 5.428 5.428 4.842 0.586 25536 9797 1 20 . 1 1 89 89 SER C C 89 173.062 173.062 172.866 0.196 25536 9798 1 20 . 1 1 89 89 SER CA C 89 57.011 57.011 57.177 -0.166 25536 9799 1 20 . 1 1 89 89 SER CB C 89 66.560 66.560 65.877 0.682 25536 9800 1 20 . 1 1 89 89 SER H H 89 7.625 7.625 7.365 0.260 25536 9801 1 20 . 1 1 90 90 PHE N N 90 115.159 115.159 114.019 1.140 25536 9802 1 20 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.927 -0.242 25536 9803 1 20 . 1 1 90 90 PHE C C 90 170.337 170.337 172.542 -2.205 25536 9804 1 20 . 1 1 90 90 PHE CA C 90 57.198 57.198 56.842 0.356 25536 9805 1 20 . 1 1 90 90 PHE CB C 90 40.412 40.412 39.692 0.720 25536 9806 1 20 . 1 1 90 90 PHE H H 90 8.549 8.549 7.729 0.820 25536 9807 1 20 . 1 1 91 91 SER N N 91 113.637 113.637 114.840 -1.203 25536 9808 1 20 . 1 1 91 91 SER HA H 91 5.350 5.350 5.370 -0.020 25536 9809 1 20 . 1 1 91 91 SER C C 91 178.100 178.100 176.607 1.493 25536 9810 1 20 . 1 1 91 91 SER CA C 91 54.748 54.748 54.477 0.271 25536 9811 1 20 . 1 1 91 91 SER CB C 91 65.325 65.325 65.898 -0.573 25536 9812 1 20 . 1 1 91 91 SER H H 91 9.010 9.010 8.669 0.341 25536 9813 1 20 . 1 1 92 92 VAL N N 92 120.560 120.560 122.756 -2.196 25536 9814 1 20 . 1 1 92 92 VAL HA H 92 3.908 3.908 4.058 -0.150 25536 9815 1 20 . 1 1 92 92 VAL C C 92 175.704 175.704 176.188 -0.484 25536 9816 1 20 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.036 -1.036 25536 9817 1 20 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.618 -0.818 25536 9818 1 20 . 1 1 92 92 VAL H H 92 8.948 8.948 8.785 0.163 25536 9819 1 20 . 1 1 93 93 LYS N N 93 116.481 116.481 119.411 -2.930 25536 9820 1 20 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.298 -0.351 25536 9821 1 20 . 1 1 93 93 LYS C C 93 177.088 177.088 175.952 1.136 25536 9822 1 20 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.760 0.939 25536 9823 1 20 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.021 -0.763 25536 9824 1 20 . 1 1 93 93 LYS H H 93 8.086 8.086 7.735 0.351 25536 9825 1 20 . 1 1 94 94 ASP N N 94 114.885 114.885 119.113 -4.228 25536 9826 1 20 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.047 -0.105 25536 9827 1 20 . 1 1 94 94 ASP C C 94 173.021 173.021 174.923 -1.902 25536 9828 1 20 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.483 0.106 25536 9829 1 20 . 1 1 94 94 ASP CB C 94 41.445 41.445 42.031 -0.586 25536 9830 1 20 . 1 1 94 94 ASP H H 94 7.399 7.399 7.803 -0.404 25536 9831 1 20 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.630 -0.212 25536 9832 1 20 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.520 0.127 25536 9833 1 20 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.765 -0.005 25536 9834 1 20 . 1 1 96 96 SER N N 96 118.790 118.790 116.856 1.934 25536 9835 1 20 . 1 1 96 96 SER HA H 96 4.219 4.219 4.145 0.074 25536 9836 1 20 . 1 1 96 96 SER C C 96 173.615 173.615 173.997 -0.382 25536 9837 1 20 . 1 1 96 96 SER CA C 96 64.525 64.525 63.654 0.871 25536 9838 1 20 . 1 1 96 96 SER CB C 96 61.994 61.994 61.027 0.967 25536 9839 1 20 . 1 1 96 96 SER H H 96 8.052 8.052 8.445 -0.393 25536 9840 1 20 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.302 0.045 25536 9841 1 20 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.347 0.669 25536 9842 1 20 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.401 0.211 25536 9843 1 20 . 1 1 98 98 LEU N N 98 117.938 117.938 119.234 -1.296 25536 9844 1 20 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.862 -0.266 25536 9845 1 20 . 1 1 98 98 LEU C C 98 178.196 178.196 179.175 -0.979 25536 9846 1 20 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.611 -0.327 25536 9847 1 20 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.225 0.184 25536 9848 1 20 . 1 1 98 98 LEU H H 98 7.076 7.076 7.674 -0.598 25536 9849 1 20 . 1 1 99 99 TYR N N 99 117.957 117.957 117.997 -0.040 25536 9850 1 20 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.040 0.110 25536 9851 1 20 . 1 1 99 99 TYR C C 99 178.767 178.767 178.155 0.612 25536 9852 1 20 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.894 -0.671 25536 9853 1 20 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.632 -0.594 25536 9854 1 20 . 1 1 99 99 TYR H H 99 7.547 7.547 7.844 -0.297 25536 9855 1 20 . 1 1 100 100 ASP N N 100 119.536 119.536 119.875 -0.339 25536 9856 1 20 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.389 -0.063 25536 9857 1 20 . 1 1 100 100 ASP C C 100 177.737 177.737 178.074 -0.337 25536 9858 1 20 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.435 0.440 25536 9859 1 20 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.861 0.280 25536 9860 1 20 . 1 1 100 100 ASP H H 100 8.292 8.292 8.302 -0.010 25536 9861 1 20 . 1 1 101 101 MET N N 101 118.757 118.757 116.886 1.871 25536 9862 1 20 . 1 1 101 101 MET HA H 101 3.964 3.964 4.276 -0.312 25536 9863 1 20 . 1 1 101 101 MET C C 101 180.006 180.006 176.982 3.024 25536 9864 1 20 . 1 1 101 101 MET CA C 101 59.710 59.710 58.186 1.524 25536 9865 1 20 . 1 1 101 101 MET CB C 101 31.642 31.642 32.746 -1.104 25536 9866 1 20 . 1 1 101 101 MET H H 101 7.226 7.226 7.239 -0.013 25536 9867 1 20 . 1 1 102 102 LEU N N 102 121.624 121.624 119.623 2.001 25536 9868 1 20 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.047 -0.351 25536 9869 1 20 . 1 1 102 102 LEU C C 102 178.566 178.566 178.921 -0.355 25536 9870 1 20 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.015 1.912 25536 9871 1 20 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.715 -0.230 25536 9872 1 20 . 1 1 102 102 LEU H H 102 8.472 8.472 7.853 0.619 25536 9873 1 20 . 1 1 103 103 ARG N N 103 117.111 117.111 118.302 -1.191 25536 9874 1 20 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.030 -0.060 25536 9875 1 20 . 1 1 103 103 ARG C C 103 178.818 178.818 177.786 1.032 25536 9876 1 20 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.041 0.462 25536 9877 1 20 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.006 0.289 25536 9878 1 20 . 1 1 103 103 ARG H H 103 7.932 7.932 8.512 -0.580 25536 9879 1 20 . 1 1 104 104 LYS N N 104 114.172 114.172 115.077 -0.905 25536 9880 1 20 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.379 -0.157 25536 9881 1 20 . 1 1 104 104 LYS C C 104 177.556 177.556 177.432 0.124 25536 9882 1 20 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.754 1.206 25536 9883 1 20 . 1 1 104 104 LYS CB C 104 34.227 34.227 31.986 2.241 25536 9884 1 20 . 1 1 104 104 LYS H H 104 7.157 7.157 8.104 -0.947 25536 9885 1 20 . 1 1 105 105 ASN N N 105 114.145 114.145 116.852 -2.707 25536 9886 1 20 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.790 -0.059 25536 9887 1 20 . 1 1 105 105 ASN C C 105 172.822 172.822 174.921 -2.099 25536 9888 1 20 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.305 0.538 25536 9889 1 20 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.690 1.955 25536 9890 1 20 . 1 1 105 105 ASN H H 105 7.665 7.665 7.868 -0.203 25536 9891 1 20 . 1 1 106 106 LEU N N 106 118.600 118.600 121.309 -2.709 25536 9892 1 20 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.701 -0.030 25536 9893 1 20 . 1 1 106 106 LEU C C 106 175.658 175.658 175.545 0.113 25536 9894 1 20 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.072 0.086 25536 9895 1 20 . 1 1 106 106 LEU CB C 106 43.565 43.565 43.249 0.315 25536 9896 1 20 . 1 1 106 106 LEU H H 106 7.439 7.439 8.230 -0.791 25536 9897 1 20 . 1 1 107 107 VAL N N 107 122.739 122.739 125.977 -3.238 25536 9898 1 20 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.019 0.189 25536 9899 1 20 . 1 1 107 107 VAL C C 107 176.054 176.054 176.068 -0.014 25536 9900 1 20 . 1 1 107 107 VAL CA C 107 62.216 62.216 62.150 0.066 25536 9901 1 20 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.172 1.408 25536 9902 1 20 . 1 1 107 107 VAL H H 107 8.182 8.182 8.801 -0.619 25536 9903 1 20 . 1 1 108 108 THR N N 108 120.854 120.854 112.727 8.127 25536 9904 1 20 . 1 1 108 108 THR HA H 108 4.336 4.336 4.077 0.259 25536 9905 1 20 . 1 1 108 108 THR C C 108 174.216 174.216 175.170 -0.954 25536 9906 1 20 . 1 1 108 108 THR CA C 108 62.726 62.726 63.654 -0.927 25536 9907 1 20 . 1 1 108 108 THR CB C 108 70.080 70.080 69.068 1.012 25536 9908 1 20 . 1 1 108 108 THR H H 108 8.524 8.524 7.575 0.949 25536 9909 1 20 . 1 1 109 109 LEU N N 109 125.529 125.529 123.480 2.049 25536 9910 1 20 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.123 0.229 25536 9911 1 20 . 1 1 109 109 LEU C C 109 176.523 176.523 176.328 0.195 25536 9912 1 20 . 1 1 109 109 LEU CA C 109 55.047 55.047 56.868 -1.821 25536 9913 1 20 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.732 0.858 25536 9914 1 20 . 1 1 109 109 LEU H H 109 8.313 8.313 8.443 -0.130 25536 9915 1 20 . 1 1 110 110 ALA N N 110 125.099 125.099 119.620 5.479 25536 9916 1 20 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.093 0.273 25536 9917 1 20 . 1 1 110 110 ALA C C 110 176.847 176.847 176.934 -0.087 25536 9918 1 20 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.905 -0.277 25536 9919 1 20 . 1 1 110 110 ALA CB C 110 19.706 19.706 18.210 1.496 25536 9920 1 20 . 1 1 110 110 ALA H H 110 8.257 8.257 7.799 0.458 25536 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 83 2.714 0.909 2.573 25536 2 1 1 "Average Difference" HA 94 0.294 0.009 0.295 25536 3 1 1 "Average Difference" C 83 1.085 -0.003 1.092 25536 4 1 1 "Average Difference" CA 87 0.994 -0.381 0.924 25536 5 1 1 "Average Difference" CB 80 1.364 -0.581 1.242 25536 6 1 1 "Average Difference" HN 83 0.490 0.013 0.493 25536 7 1 2 "Average Difference" N 83 2.422 1.034 2.204 25536 8 1 2 "Average Difference" HA 94 0.294 0.043 0.292 25536 9 1 2 "Average Difference" C 83 1.122 -0.053 1.127 25536 10 1 2 "Average Difference" CA 87 1.012 -0.408 0.932 25536 11 1 2 "Average Difference" CB 80 1.347 -0.522 1.249 25536 12 1 2 "Average Difference" HN 83 0.534 -0.012 0.537 25536 13 1 3 "Average Difference" N 83 2.403 0.959 2.217 25536 14 1 3 "Average Difference" HA 94 0.304 0.016 0.305 25536 15 1 3 "Average Difference" C 83 1.042 -0.027 1.048 25536 16 1 3 "Average Difference" CA 87 0.978 -0.371 0.910 25536 17 1 3 "Average Difference" CB 80 1.274 -0.489 1.184 25536 18 1 3 "Average Difference" HN 83 0.514 -0.015 0.517 25536 19 1 4 "Average Difference" N 83 2.781 0.709 2.705 25536 20 1 4 "Average Difference" HA 94 0.293 0.026 0.294 25536 21 1 4 "Average Difference" C 83 1.013 0.053 1.018 25536 22 1 4 "Average Difference" CA 87 0.984 -0.297 0.944 25536 23 1 4 "Average Difference" CB 80 1.390 -0.582 1.271 25536 24 1 4 "Average Difference" HN 83 0.565 0.007 0.569 25536 25 1 5 "Average Difference" N 83 2.721 0.791 2.619 25536 26 1 5 "Average Difference" HA 94 0.300 0.012 0.302 25536 27 1 5 "Average Difference" C 83 1.061 -0.033 1.067 25536 28 1 5 "Average Difference" CA 87 0.932 -0.287 0.892 25536 29 1 5 "Average Difference" CB 80 1.340 -0.586 1.213 25536 30 1 5 "Average Difference" HN 83 0.565 -0.026 0.568 25536 31 1 6 "Average Difference" N 83 2.379 0.858 2.233 25536 32 1 6 "Average Difference" HA 94 0.293 0.031 0.292 25536 33 1 6 "Average Difference" C 83 1.025 0.025 1.031 25536 34 1 6 "Average Difference" CA 87 0.978 -0.373 0.909 25536 35 1 6 "Average Difference" CB 80 1.267 -0.547 1.149 25536 36 1 6 "Average Difference" HN 83 0.491 0.021 0.493 25536 37 1 7 "Average Difference" N 83 2.782 0.812 2.676 25536 38 1 7 "Average Difference" HA 94 0.291 0.038 0.290 25536 39 1 7 "Average Difference" C 83 1.077 0.005 1.084 25536 40 1 7 "Average Difference" CA 87 1.041 -0.296 1.004 25536 41 1 7 "Average Difference" CB 80 1.395 -0.591 1.272 25536 42 1 7 "Average Difference" HN 83 0.507 0.017 0.510 25536 43 1 8 "Average Difference" N 83 2.715 0.905 2.575 25536 44 1 8 "Average Difference" HA 94 0.290 0.026 0.291 25536 45 1 8 "Average Difference" C 83 1.078 0.004 1.085 25536 46 1 8 "Average Difference" CA 87 0.955 -0.273 0.921 25536 47 1 8 "Average Difference" CB 80 1.376 -0.638 1.227 25536 48 1 8 "Average Difference" HN 83 0.516 0.003 0.520 25536 49 1 9 "Average Difference" N 83 2.726 0.874 2.598 25536 50 1 9 "Average Difference" HA 94 0.300 0.010 0.301 25536 51 1 9 "Average Difference" C 83 1.050 0.043 1.056 25536 52 1 9 "Average Difference" CA 87 1.211 -0.308 1.179 25536 53 1 9 "Average Difference" CB 80 1.396 -0.670 1.233 25536 54 1 9 "Average Difference" HN 83 0.494 0.009 0.496 25536 55 1 10 "Average Difference" N 83 2.532 0.967 2.354 25536 56 1 10 "Average Difference" HA 94 0.291 0.042 0.290 25536 57 1 10 "Average Difference" C 83 1.040 -0.015 1.046 25536 58 1 10 "Average Difference" CA 87 0.990 -0.358 0.929 25536 59 1 10 "Average Difference" CB 80 1.408 -0.653 1.255 25536 60 1 10 "Average Difference" HN 83 0.522 0.011 0.525 25536 61 1 11 "Average Difference" N 83 2.821 0.957 2.670 25536 62 1 11 "Average Difference" HA 94 0.288 0.032 0.287 25536 63 1 11 "Average Difference" C 83 1.049 -0.040 1.055 25536 64 1 11 "Average Difference" CA 87 0.931 -0.296 0.888 25536 65 1 11 "Average Difference" CB 80 1.387 -0.636 1.240 25536 66 1 11 "Average Difference" HN 83 0.502 0.011 0.505 25536 67 1 12 "Average Difference" N 83 2.465 0.872 2.320 25536 68 1 12 "Average Difference" HA 94 0.277 0.043 0.275 25536 69 1 12 "Average Difference" C 83 1.116 -0.047 1.122 25536 70 1 12 "Average Difference" CA 87 1.014 -0.356 0.955 25536 71 1 12 "Average Difference" CB 80 1.403 -0.493 1.321 25536 72 1 12 "Average Difference" HN 83 0.512 -0.012 0.514 25536 73 1 13 "Average Difference" N 83 2.456 0.890 2.303 25536 74 1 13 "Average Difference" HA 94 0.292 0.031 0.292 25536 75 1 13 "Average Difference" C 83 1.046 -0.002 1.053 25536 76 1 13 "Average Difference" CA 87 0.947 -0.423 0.851 25536 77 1 13 "Average Difference" CB 80 1.317 -0.606 1.177 25536 78 1 13 "Average Difference" HN 83 0.515 -0.007 0.519 25536 79 1 14 "Average Difference" N 83 2.709 0.887 2.576 25536 80 1 14 "Average Difference" HA 94 0.296 0.035 0.295 25536 81 1 14 "Average Difference" C 83 1.018 -0.055 1.023 25536 82 1 14 "Average Difference" CA 87 1.017 -0.339 0.965 25536 83 1 14 "Average Difference" CB 80 1.429 -0.567 1.320 25536 84 1 14 "Average Difference" HN 83 0.503 0.013 0.506 25536 85 1 15 "Average Difference" N 83 2.637 0.842 2.514 25536 86 1 15 "Average Difference" HA 94 0.313 0.015 0.314 25536 87 1 15 "Average Difference" C 83 1.099 -0.005 1.106 25536 88 1 15 "Average Difference" CA 87 1.038 -0.307 0.997 25536 89 1 15 "Average Difference" CB 80 1.396 -0.563 1.285 25536 90 1 15 "Average Difference" HN 83 0.506 -0.001 0.509 25536 91 1 16 "Average Difference" N 83 2.615 0.926 2.460 25536 92 1 16 "Average Difference" HA 94 0.285 0.033 0.284 25536 93 1 16 "Average Difference" C 83 1.005 -0.017 1.011 25536 94 1 16 "Average Difference" CA 87 0.987 -0.348 0.929 25536 95 1 16 "Average Difference" CB 80 1.365 -0.619 1.225 25536 96 1 16 "Average Difference" HN 83 0.485 0.028 0.487 25536 97 1 17 "Average Difference" N 83 2.538 0.985 2.354 25536 98 1 17 "Average Difference" HA 94 0.298 0.020 0.299 25536 99 1 17 "Average Difference" C 83 0.999 -0.019 1.005 25536 100 1 17 "Average Difference" CA 87 1.012 -0.315 0.967 25536 101 1 17 "Average Difference" CB 80 1.409 -0.618 1.274 25536 102 1 17 "Average Difference" HN 83 0.550 0.007 0.553 25536 103 1 18 "Average Difference" N 83 2.662 0.772 2.563 25536 104 1 18 "Average Difference" HA 94 0.291 0.036 0.290 25536 105 1 18 "Average Difference" C 83 1.088 -0.001 1.095 25536 106 1 18 "Average Difference" CA 87 1.024 -0.276 0.992 25536 107 1 18 "Average Difference" CB 80 1.370 -0.583 1.248 25536 108 1 18 "Average Difference" HN 83 0.524 0.037 0.526 25536 109 1 19 "Average Difference" N 83 2.456 0.695 2.370 25536 110 1 19 "Average Difference" HA 94 0.285 0.027 0.286 25536 111 1 19 "Average Difference" C 83 1.025 -0.024 1.030 25536 112 1 19 "Average Difference" CA 87 0.980 -0.390 0.904 25536 113 1 19 "Average Difference" CB 80 1.326 -0.555 1.212 25536 114 1 19 "Average Difference" HN 83 0.507 0.002 0.510 25536 115 1 20 "Average Difference" N 83 2.531 0.648 2.461 25536 116 1 20 "Average Difference" HA 94 0.302 0.009 0.304 25536 117 1 20 "Average Difference" C 83 1.064 0.004 1.070 25536 118 1 20 "Average Difference" CA 87 0.933 -0.270 0.899 25536 119 1 20 "Average Difference" CB 80 1.430 -0.664 1.274 25536 120 1 20 "Average Difference" HN 83 0.535 -0.002 0.539 25536 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 25536 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 24 24 ILE N N 24 120.668 120.668 120.746 -0.078 25536 2 1 . 1 1 24 24 ILE HA H 24 4.147 4.147 3.997 0.150 25536 3 1 . 1 1 24 24 ILE C C 24 175.650 175.650 175.656 -0.006 25536 4 1 . 1 1 24 24 ILE CA C 24 61.342 61.342 61.935 -0.593 25536 5 1 . 1 1 24 24 ILE CB C 24 39.067 39.067 38.383 0.684 25536 6 1 . 1 1 24 24 ILE H H 24 8.119 8.119 8.430 -0.311 25536 7 1 . 1 1 25 25 ASN N N 25 122.032 122.032 119.049 2.983 25536 8 1 . 1 1 25 25 ASN HA H 25 4.704 4.704 4.567 0.137 25536 9 1 . 1 1 25 25 ASN C C 25 174.775 174.775 174.030 0.745 25536 10 1 . 1 1 25 25 ASN CA C 25 53.730 53.730 53.372 0.358 25536 11 1 . 1 1 25 25 ASN CB C 25 39.406 39.406 38.090 1.316 25536 12 1 . 1 1 25 25 ASN H H 25 8.446 8.446 8.547 -0.101 25536 13 1 . 1 1 26 26 GLN N N 26 118.655 118.655 117.679 0.975 25536 14 1 . 1 1 26 26 GLN HA H 26 4.587 4.587 4.666 -0.079 25536 15 1 . 1 1 26 26 GLN C C 26 175.291 175.291 174.456 0.835 25536 16 1 . 1 1 26 26 GLN CA C 26 55.702 55.702 54.485 1.217 25536 17 1 . 1 1 26 26 GLN CB C 26 32.258 32.258 31.911 0.348 25536 18 1 . 1 1 26 26 GLN H H 26 8.215 8.215 7.725 0.490 25536 19 1 . 1 1 27 27 VAL N N 27 113.749 113.749 119.005 -5.256 25536 20 1 . 1 1 27 27 VAL HA H 27 4.867 4.867 4.351 0.516 25536 21 1 . 1 1 27 27 VAL C C 27 173.900 173.900 174.746 -0.846 25536 22 1 . 1 1 27 27 VAL CA C 27 59.116 59.116 60.203 -1.087 25536 23 1 . 1 1 27 27 VAL CB C 27 36.104 36.104 34.082 2.022 25536 24 1 . 1 1 27 27 VAL H H 27 9.417 9.417 8.403 1.014 25536 25 1 . 1 1 28 28 ARG N N 28 121.515 121.515 124.142 -2.627 25536 26 1 . 1 1 28 28 ARG HA H 28 5.457 5.457 5.198 0.259 25536 27 1 . 1 1 28 28 ARG C C 28 175.090 175.090 174.993 0.097 25536 28 1 . 1 1 28 28 ARG CA C 28 52.571 52.571 53.437 -0.866 25536 29 1 . 1 1 28 28 ARG CB C 28 33.674 33.674 30.656 3.018 25536 30 1 . 1 1 28 28 ARG H H 28 8.901 8.901 8.425 0.476 25536 31 1 . 1 1 29 29 PRO HA H 29 4.995 4.995 4.485 0.510 25536 32 1 . 1 1 29 29 PRO CA C 29 62.052 62.052 62.320 -0.268 25536 33 1 . 1 1 29 29 PRO CB C 29 32.261 32.261 32.668 -0.407 25536 34 1 . 1 1 30 30 LYS N N 30 121.291 121.291 119.433 1.858 25536 35 1 . 1 1 30 30 LYS HA H 30 4.201 4.201 4.181 0.020 25536 36 1 . 1 1 30 30 LYS C C 30 177.557 177.557 178.517 -0.960 25536 37 1 . 1 1 30 30 LYS CA C 30 57.722 57.722 56.172 1.550 25536 38 1 . 1 1 30 30 LYS CB C 30 33.995 33.995 33.510 0.485 25536 39 1 . 1 1 30 30 LYS H H 30 8.476 8.476 8.440 0.036 25536 40 1 . 1 1 31 31 LEU N N 31 121.578 121.578 124.194 -2.616 25536 41 1 . 1 1 31 31 LEU HA H 31 4.055 4.055 4.127 -0.072 25536 42 1 . 1 1 31 31 LEU C C 31 174.261 174.261 176.367 -2.106 25536 43 1 . 1 1 31 31 LEU CA C 31 60.196 60.196 59.910 0.286 25536 44 1 . 1 1 31 31 LEU CB C 31 39.850 39.850 39.415 0.435 25536 45 1 . 1 1 31 31 LEU H H 31 8.584 8.584 8.908 -0.324 25536 46 1 . 1 1 32 32 PRO HA H 32 4.133 4.133 4.226 -0.093 25536 47 1 . 1 1 32 32 PRO CA C 32 66.578 66.578 65.709 0.869 25536 48 1 . 1 1 32 32 PRO CB C 32 31.477 31.477 31.188 0.289 25536 49 1 . 1 1 33 33 LEU N N 33 113.190 113.190 118.850 -5.660 25536 50 1 . 1 1 33 33 LEU HA H 33 3.975 3.975 4.092 -0.117 25536 51 1 . 1 1 33 33 LEU C C 33 177.726 177.726 178.826 -1.100 25536 52 1 . 1 1 33 33 LEU CA C 33 56.140 56.140 57.378 -1.238 25536 53 1 . 1 1 33 33 LEU CB C 33 41.847 41.847 41.621 0.226 25536 54 1 . 1 1 33 33 LEU H H 33 6.605 6.605 7.490 -0.885 25536 55 1 . 1 1 34 34 LEU N N 34 121.683 121.683 120.524 1.159 25536 56 1 . 1 1 34 34 LEU HA H 34 3.382 3.382 3.856 -0.474 25536 57 1 . 1 1 34 34 LEU C C 34 177.321 177.321 178.184 -0.863 25536 58 1 . 1 1 34 34 LEU CA C 34 58.237 58.237 57.779 0.458 25536 59 1 . 1 1 34 34 LEU CB C 34 41.911 41.911 41.285 0.626 25536 60 1 . 1 1 34 34 LEU H H 34 8.399 8.399 8.560 -0.161 25536 61 1 . 1 1 35 35 LYS N N 35 114.524 114.524 119.200 -4.676 25536 62 1 . 1 1 35 35 LYS HA H 35 3.793 3.793 4.000 -0.207 25536 63 1 . 1 1 35 35 LYS C C 35 180.207 180.207 178.857 1.350 25536 64 1 . 1 1 35 35 LYS CA C 35 60.071 60.071 59.444 0.627 25536 65 1 . 1 1 35 35 LYS CB C 35 32.469 32.469 31.894 0.575 25536 66 1 . 1 1 35 35 LYS H H 35 7.940 7.940 8.092 -0.152 25536 67 1 . 1 1 36 36 ILE N N 36 119.857 119.857 119.794 0.064 25536 68 1 . 1 1 36 36 ILE HA H 36 3.304 3.304 3.614 -0.310 25536 69 1 . 1 1 36 36 ILE C C 36 176.418 176.418 177.875 -1.457 25536 70 1 . 1 1 36 36 ILE CA C 36 64.480 64.480 64.494 -0.014 25536 71 1 . 1 1 36 36 ILE CB C 36 37.604 37.604 37.235 0.369 25536 72 1 . 1 1 36 36 ILE H H 36 6.742 6.742 7.514 -0.772 25536 73 1 . 1 1 37 37 LEU N N 37 116.695 116.695 119.499 -2.804 25536 74 1 . 1 1 37 37 LEU HA H 37 3.522 3.522 3.894 -0.372 25536 75 1 . 1 1 37 37 LEU C C 37 180.263 180.263 179.463 0.800 25536 76 1 . 1 1 37 37 LEU CA C 37 58.280 58.280 58.147 0.133 25536 77 1 . 1 1 37 37 LEU CB C 37 39.138 39.138 40.941 -1.803 25536 78 1 . 1 1 37 37 LEU H H 37 7.595 7.595 7.597 -0.002 25536 79 1 . 1 1 38 38 HIS N N 38 117.829 117.829 117.496 0.333 25536 80 1 . 1 1 38 38 HIS HA H 38 4.682 4.682 4.211 0.471 25536 81 1 . 1 1 38 38 HIS C C 38 180.133 180.133 178.082 2.051 25536 82 1 . 1 1 38 38 HIS CA C 38 57.291 57.291 58.493 -1.202 25536 83 1 . 1 1 38 38 HIS CB C 38 31.411 31.411 30.214 1.197 25536 84 1 . 1 1 38 38 HIS H H 38 8.955 8.955 8.597 0.358 25536 85 1 . 1 1 39 39 ALA N N 39 124.006 124.006 121.904 2.102 25536 86 1 . 1 1 39 39 ALA HA H 39 4.246 4.246 4.225 0.021 25536 87 1 . 1 1 39 39 ALA C C 39 178.835 178.835 178.508 0.327 25536 88 1 . 1 1 39 39 ALA CA C 39 55.085 55.085 54.502 0.583 25536 89 1 . 1 1 39 39 ALA CB C 39 18.111 18.111 18.455 -0.344 25536 90 1 . 1 1 39 39 ALA H H 39 7.945 7.945 8.302 -0.356 25536 91 1 . 1 1 40 40 ALA N N 40 118.201 118.201 119.326 -1.125 25536 92 1 . 1 1 40 40 ALA HA H 40 4.421 4.421 4.373 0.048 25536 93 1 . 1 1 40 40 ALA C C 40 176.261 176.261 177.903 -1.642 25536 94 1 . 1 1 40 40 ALA CA C 40 52.136 52.136 52.474 -0.338 25536 95 1 . 1 1 40 40 ALA CB C 40 21.112 21.112 20.241 0.871 25536 96 1 . 1 1 40 40 ALA H H 40 7.665 7.665 7.605 0.060 25536 97 1 . 1 1 41 41 GLY N N 41 103.920 103.920 107.488 -3.568 25536 98 1 . 1 1 41 41 GLY C C 41 174.412 174.412 173.971 0.441 25536 99 1 . 1 1 41 41 GLY CA C 41 44.967 44.967 44.718 0.248 25536 100 1 . 1 1 41 41 GLY H H 41 7.683 7.683 7.711 -0.028 25536 101 1 . 1 1 42 42 ALA N N 42 123.582 123.582 121.741 1.841 25536 102 1 . 1 1 42 42 ALA HA H 42 3.635 3.635 3.486 0.149 25536 103 1 . 1 1 42 42 ALA C C 42 175.772 175.772 177.107 -1.335 25536 104 1 . 1 1 42 42 ALA CA C 42 52.680 52.680 51.274 1.406 25536 105 1 . 1 1 42 42 ALA CB C 42 19.356 19.356 19.245 0.111 25536 106 1 . 1 1 42 42 ALA H H 42 7.578 7.578 7.667 -0.089 25536 107 1 . 1 1 43 43 GLN N N 43 116.996 116.996 121.665 -4.670 25536 108 1 . 1 1 43 43 GLN HA H 43 4.349 4.349 4.478 -0.129 25536 109 1 . 1 1 43 43 GLN C C 43 175.528 175.528 175.582 -0.054 25536 110 1 . 1 1 43 43 GLN CA C 43 54.651 54.651 55.200 -0.549 25536 111 1 . 1 1 43 43 GLN CB C 43 32.414 32.414 29.029 3.385 25536 112 1 . 1 1 43 43 GLN H H 43 8.481 8.481 8.536 -0.055 25536 113 1 . 1 1 44 44 GLY N N 44 108.128 108.128 107.125 1.003 25536 114 1 . 1 1 44 44 GLY C C 44 173.892 173.892 172.659 1.233 25536 115 1 . 1 1 44 44 GLY CA C 44 44.698 44.698 45.394 -0.696 25536 116 1 . 1 1 44 44 GLY H H 44 8.510 8.510 7.730 0.780 25536 117 1 . 1 1 45 45 GLU N N 45 114.113 114.113 118.722 -4.609 25536 118 1 . 1 1 45 45 GLU HA H 45 4.608 4.608 4.417 0.191 25536 119 1 . 1 1 45 45 GLU C C 45 174.007 174.007 174.591 -0.584 25536 120 1 . 1 1 45 45 GLU CA C 45 56.829 56.829 55.965 0.864 25536 121 1 . 1 1 45 45 GLU CB C 45 33.051 33.051 31.410 1.641 25536 122 1 . 1 1 45 45 GLU H H 45 8.245 8.245 8.289 -0.044 25536 123 1 . 1 1 46 46 MET N N 46 115.322 115.322 117.683 -2.361 25536 124 1 . 1 1 46 46 MET HA H 46 5.051 5.051 4.395 0.656 25536 125 1 . 1 1 46 46 MET C C 46 174.637 174.637 174.317 0.320 25536 126 1 . 1 1 46 46 MET CA C 46 54.264 54.264 54.328 -0.064 25536 127 1 . 1 1 46 46 MET CB C 46 35.854 35.854 34.134 1.720 25536 128 1 . 1 1 46 46 MET H H 46 6.872 6.872 7.034 -0.162 25536 129 1 . 1 1 47 47 PHE N N 47 119.008 119.008 119.482 -0.474 25536 130 1 . 1 1 47 47 PHE HA H 47 5.094 5.094 5.116 -0.022 25536 131 1 . 1 1 47 47 PHE C C 47 175.742 175.742 174.724 1.018 25536 132 1 . 1 1 47 47 PHE CA C 47 57.338 57.338 55.668 1.669 25536 133 1 . 1 1 47 47 PHE CB C 47 46.912 46.912 41.114 5.798 25536 134 1 . 1 1 47 47 PHE H H 47 8.623 8.623 8.942 -0.319 25536 135 1 . 1 1 48 48 THR N N 48 110.544 110.544 111.849 -1.305 25536 136 1 . 1 1 48 48 THR HA H 48 4.990 4.990 4.593 0.397 25536 137 1 . 1 1 48 48 THR C C 48 176.666 176.666 176.054 0.612 25536 138 1 . 1 1 48 48 THR CA C 48 61.095 61.095 60.467 0.628 25536 139 1 . 1 1 48 48 THR CB C 48 71.136 71.136 70.641 0.495 25536 140 1 . 1 1 48 48 THR H H 48 9.108 9.108 8.977 0.131 25536 141 1 . 1 1 49 49 VAL N N 49 121.588 121.588 122.185 -0.597 25536 142 1 . 1 1 49 49 VAL HA H 49 3.381 3.381 3.602 -0.221 25536 143 1 . 1 1 49 49 VAL C C 49 177.726 177.726 177.311 0.415 25536 144 1 . 1 1 49 49 VAL CA C 49 68.241 68.241 67.087 1.154 25536 145 1 . 1 1 49 49 VAL CB C 49 31.555 31.555 31.704 -0.149 25536 146 1 . 1 1 49 49 VAL H H 49 9.044 9.044 8.851 0.194 25536 147 1 . 1 1 50 50 LYS N N 50 118.341 118.341 116.481 1.860 25536 148 1 . 1 1 50 50 LYS HA H 50 3.959 3.959 4.050 -0.091 25536 149 1 . 1 1 50 50 LYS C C 50 180.060 180.060 178.249 1.811 25536 150 1 . 1 1 50 50 LYS CA C 50 60.356 60.356 59.084 1.272 25536 151 1 . 1 1 50 50 LYS CB C 50 32.839 32.839 31.729 1.110 25536 152 1 . 1 1 50 50 LYS H H 50 8.132 8.132 8.424 -0.292 25536 153 1 . 1 1 51 51 GLU N N 51 119.521 119.521 120.082 -0.561 25536 154 1 . 1 1 51 51 GLU HA H 51 4.046 4.046 3.958 0.088 25536 155 1 . 1 1 51 51 GLU C C 51 178.583 178.583 178.467 0.116 25536 156 1 . 1 1 51 51 GLU CA C 51 59.903 59.903 58.860 1.043 25536 157 1 . 1 1 51 51 GLU CB C 51 31.456 31.456 30.011 1.445 25536 158 1 . 1 1 51 51 GLU H H 51 7.877 7.877 7.520 0.357 25536 159 1 . 1 1 52 52 VAL N N 52 119.044 119.044 117.938 1.106 25536 160 1 . 1 1 52 52 VAL HA H 52 3.250 3.250 3.514 -0.264 25536 161 1 . 1 1 52 52 VAL C C 52 177.546 177.546 177.999 -0.453 25536 162 1 . 1 1 52 52 VAL CA C 52 67.901 67.901 65.860 2.041 25536 163 1 . 1 1 52 52 VAL CB C 52 31.377 31.377 31.356 0.021 25536 164 1 . 1 1 52 52 VAL H H 52 8.245 8.245 8.421 -0.176 25536 165 1 . 1 1 53 53 MET N N 53 114.669 114.669 116.386 -1.717 25536 166 1 . 1 1 53 53 MET HA H 53 4.198 4.198 4.049 0.149 25536 167 1 . 1 1 53 53 MET C C 53 178.699 178.699 177.274 1.425 25536 168 1 . 1 1 53 53 MET CA C 53 57.748 57.748 58.078 -0.330 25536 169 1 . 1 1 53 53 MET CB C 53 32.680 32.680 31.704 0.977 25536 170 1 . 1 1 53 53 MET H H 53 8.188 8.188 8.061 0.127 25536 171 1 . 1 1 54 54 HIS N N 54 118.909 118.909 120.553 -1.644 25536 172 1 . 1 1 54 54 HIS HA H 54 4.117 4.117 4.143 -0.026 25536 173 1 . 1 1 54 54 HIS C C 54 178.675 178.675 176.998 1.677 25536 174 1 . 1 1 54 54 HIS CA C 54 60.272 60.272 60.467 -0.195 25536 175 1 . 1 1 54 54 HIS CB C 54 30.597 30.597 29.682 0.915 25536 176 1 . 1 1 54 54 HIS H H 54 8.091 8.091 7.414 0.677 25536 177 1 . 1 1 55 55 TYR N N 55 116.769 116.769 117.069 -0.300 25536 178 1 . 1 1 55 55 TYR HA H 55 3.852 3.852 4.241 -0.389 25536 179 1 . 1 1 55 55 TYR C C 55 177.794 177.794 177.930 -0.137 25536 180 1 . 1 1 55 55 TYR CA C 55 63.717 63.717 60.681 3.036 25536 181 1 . 1 1 55 55 TYR CB C 55 39.129 39.129 37.144 1.985 25536 182 1 . 1 1 55 55 TYR H H 55 8.468 8.468 7.405 1.063 25536 183 1 . 1 1 56 56 LEU N N 56 120.819 120.819 120.351 0.468 25536 184 1 . 1 1 56 56 LEU HA H 56 3.809 3.809 3.913 -0.104 25536 185 1 . 1 1 56 56 LEU C C 56 178.484 178.484 179.138 -0.654 25536 186 1 . 1 1 56 56 LEU CA C 56 58.622 58.622 57.743 0.879 25536 187 1 . 1 1 56 56 LEU CB C 56 42.581 42.581 41.072 1.509 25536 188 1 . 1 1 56 56 LEU H H 56 8.455 8.455 7.425 1.030 25536 189 1 . 1 1 57 57 GLY N N 57 104.896 104.896 106.792 -1.896 25536 190 1 . 1 1 57 57 GLY C C 57 175.647 175.647 175.778 -0.131 25536 191 1 . 1 1 57 57 GLY CA C 57 47.239 47.239 47.220 0.019 25536 192 1 . 1 1 57 57 GLY H H 57 7.691 7.691 8.014 -0.323 25536 193 1 . 1 1 58 58 GLN N N 58 119.080 119.080 121.896 -2.816 25536 194 1 . 1 1 58 58 GLN HA H 58 3.812 3.812 3.984 -0.172 25536 195 1 . 1 1 58 58 GLN C C 58 177.429 177.429 177.743 -0.314 25536 196 1 . 1 1 58 58 GLN CA C 58 58.678 58.678 58.511 0.167 25536 197 1 . 1 1 58 58 GLN CB C 58 28.875 28.875 28.377 0.498 25536 198 1 . 1 1 58 58 GLN H H 58 7.704 7.704 7.956 -0.252 25536 199 1 . 1 1 59 59 TYR N N 59 120.995 120.995 122.390 -1.395 25536 200 1 . 1 1 59 59 TYR HA H 59 3.804 3.804 4.215 -0.411 25536 201 1 . 1 1 59 59 TYR C C 59 176.215 176.215 177.479 -1.264 25536 202 1 . 1 1 59 59 TYR CA C 59 62.565 62.565 62.160 0.405 25536 203 1 . 1 1 59 59 TYR CB C 59 38.619 38.619 38.706 -0.087 25536 204 1 . 1 1 59 59 TYR H H 59 8.500 8.500 8.148 0.352 25536 205 1 . 1 1 60 60 ILE N N 60 116.532 116.532 119.475 -2.943 25536 206 1 . 1 1 60 60 ILE HA H 60 3.303 3.303 3.653 -0.350 25536 207 1 . 1 1 60 60 ILE C C 60 177.952 177.952 178.248 -0.296 25536 208 1 . 1 1 60 60 ILE CA C 60 65.547 65.547 65.745 -0.198 25536 209 1 . 1 1 60 60 ILE CB C 60 38.431 38.431 38.002 0.429 25536 210 1 . 1 1 60 60 ILE H H 60 7.585 7.585 8.741 -1.156 25536 211 1 . 1 1 61 61 MET N N 61 115.556 115.556 119.412 -3.856 25536 212 1 . 1 1 61 61 MET HA H 61 4.547 4.547 4.340 0.207 25536 213 1 . 1 1 61 61 MET C C 61 180.579 180.579 178.245 2.334 25536 214 1 . 1 1 61 61 MET CA C 61 57.563 57.563 58.319 -0.756 25536 215 1 . 1 1 61 61 MET CB C 61 31.473 31.473 32.308 -0.835 25536 216 1 . 1 1 61 61 MET H H 61 7.707 7.707 8.103 -0.396 25536 217 1 . 1 1 62 62 VAL N N 62 120.872 120.872 118.899 1.973 25536 218 1 . 1 1 62 62 VAL HA H 62 3.828 3.828 3.775 0.053 25536 219 1 . 1 1 62 62 VAL C C 62 178.786 178.786 177.573 1.213 25536 220 1 . 1 1 62 62 VAL CA C 62 66.112 66.112 64.787 1.325 25536 221 1 . 1 1 62 62 VAL CB C 62 31.991 31.991 32.041 -0.050 25536 222 1 . 1 1 62 62 VAL H H 62 9.009 9.009 8.337 0.672 25536 223 1 . 1 1 63 63 LYS N N 63 116.652 116.652 117.712 -1.060 25536 224 1 . 1 1 63 63 LYS HA H 63 4.057 4.057 4.128 -0.071 25536 225 1 . 1 1 63 63 LYS C C 63 174.784 174.784 175.849 -1.065 25536 226 1 . 1 1 63 63 LYS CA C 63 56.083 56.083 55.661 0.422 25536 227 1 . 1 1 63 63 LYS CB C 63 31.461 31.461 32.132 -0.671 25536 228 1 . 1 1 63 63 LYS H H 63 7.812 7.812 8.121 -0.309 25536 229 1 . 1 1 64 64 GLN N N 64 115.445 115.445 114.687 0.758 25536 230 1 . 1 1 64 64 GLN HA H 64 3.606 3.606 3.765 -0.159 25536 231 1 . 1 1 64 64 GLN C C 64 175.550 175.550 175.049 0.501 25536 232 1 . 1 1 64 64 GLN CA C 64 56.979 56.979 56.414 0.565 25536 233 1 . 1 1 64 64 GLN CB C 64 26.248 26.248 25.277 0.971 25536 234 1 . 1 1 64 64 GLN H H 64 7.642 7.642 7.949 -0.307 25536 235 1 . 1 1 65 65 LEU N N 65 115.724 115.724 118.592 -2.868 25536 236 1 . 1 1 65 65 LEU HA H 65 4.457 4.457 4.416 0.041 25536 237 1 . 1 1 65 65 LEU C C 65 175.979 175.979 175.778 0.201 25536 238 1 . 1 1 65 65 LEU CA C 65 54.654 54.654 54.157 0.497 25536 239 1 . 1 1 65 65 LEU CB C 65 41.950 41.950 41.700 0.250 25536 240 1 . 1 1 65 65 LEU H H 65 8.097 8.097 7.505 0.592 25536 241 1 . 1 1 66 66 TYR N N 66 112.953 112.953 114.806 -1.853 25536 242 1 . 1 1 66 66 TYR HA H 66 5.292 5.292 5.193 0.099 25536 243 1 . 1 1 66 66 TYR C C 66 173.941 173.941 174.682 -0.741 25536 244 1 . 1 1 66 66 TYR CA C 66 54.629 54.629 53.896 0.733 25536 245 1 . 1 1 66 66 TYR CB C 66 39.748 39.748 40.534 -0.786 25536 246 1 . 1 1 66 66 TYR H H 66 6.856 6.856 6.782 0.074 25536 247 1 . 1 1 67 67 ASP N N 67 122.196 122.196 121.076 1.120 25536 248 1 . 1 1 67 67 ASP HA H 67 4.438 4.438 4.771 -0.334 25536 249 1 . 1 1 67 67 ASP C C 67 176.779 176.779 177.530 -0.751 25536 250 1 . 1 1 67 67 ASP CA C 67 53.980 53.980 53.751 0.229 25536 251 1 . 1 1 67 67 ASP CB C 67 43.532 43.532 43.475 0.057 25536 252 1 . 1 1 67 67 ASP H H 67 8.324 8.324 8.388 -0.064 25536 253 1 . 1 1 68 68 GLN N N 68 123.042 123.042 123.419 -0.377 25536 254 1 . 1 1 68 68 GLN HA H 68 3.886 3.886 4.134 -0.248 25536 255 1 . 1 1 68 68 GLN C C 68 177.122 177.122 177.307 -0.185 25536 256 1 . 1 1 68 68 GLN CA C 68 59.031 59.031 58.562 0.469 25536 257 1 . 1 1 68 68 GLN CB C 68 29.087 29.087 28.516 0.571 25536 258 1 . 1 1 68 68 GLN H H 68 8.563 8.563 8.749 -0.186 25536 259 1 . 1 1 69 69 GLN N N 69 115.263 115.263 117.284 -2.021 25536 260 1 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.280 0.077 25536 261 1 . 1 1 69 69 GLN C C 69 176.272 176.272 176.213 0.059 25536 262 1 . 1 1 69 69 GLN CA C 69 57.129 57.129 56.981 0.148 25536 263 1 . 1 1 69 69 GLN CB C 69 30.124 30.124 29.724 0.401 25536 264 1 . 1 1 69 69 GLN H H 69 8.356 8.356 8.178 0.178 25536 265 1 . 1 1 70 70 GLU N N 70 122.549 122.549 118.982 3.567 25536 266 1 . 1 1 70 70 GLU HA H 70 4.519 4.519 4.488 0.031 25536 267 1 . 1 1 70 70 GLU C C 70 175.953 175.953 175.956 -0.003 25536 268 1 . 1 1 70 70 GLU CA C 70 54.957 54.957 55.475 -0.518 25536 269 1 . 1 1 70 70 GLU CB C 70 29.560 29.560 29.862 -0.302 25536 270 1 . 1 1 70 70 GLU H H 70 8.227 8.227 7.907 0.320 25536 271 1 . 1 1 71 71 GLN N N 71 118.815 118.815 122.253 -3.438 25536 272 1 . 1 1 71 71 GLN HA H 71 4.552 4.552 3.999 0.553 25536 273 1 . 1 1 71 71 GLN C C 71 174.842 174.842 176.369 -1.527 25536 274 1 . 1 1 71 71 GLN CA C 71 59.697 59.697 58.329 1.368 25536 275 1 . 1 1 71 71 GLN CB C 71 27.930 27.930 28.415 -0.485 25536 276 1 . 1 1 71 71 GLN H H 71 8.253 8.253 8.775 -0.522 25536 277 1 . 1 1 72 72 HIS N N 72 111.141 111.141 111.679 -0.538 25536 278 1 . 1 1 72 72 HIS HA H 72 4.173 4.173 4.458 -0.285 25536 279 1 . 1 1 72 72 HIS C C 72 173.749 173.749 174.831 -1.082 25536 280 1 . 1 1 72 72 HIS CA C 72 56.259 56.259 55.518 0.741 25536 281 1 . 1 1 72 72 HIS CB C 72 31.072 31.072 29.435 1.636 25536 282 1 . 1 1 72 72 HIS H H 72 7.412 7.412 7.633 -0.221 25536 283 1 . 1 1 73 73 MET N N 73 119.350 119.350 120.893 -1.543 25536 284 1 . 1 1 73 73 MET HA H 73 4.584 4.584 4.493 0.091 25536 285 1 . 1 1 73 73 MET C C 73 174.311 174.311 174.245 0.066 25536 286 1 . 1 1 73 73 MET CA C 73 53.186 53.186 53.948 -0.762 25536 287 1 . 1 1 73 73 MET CB C 73 31.731 31.731 32.959 -1.228 25536 288 1 . 1 1 73 73 MET H H 73 7.766 7.766 7.491 0.275 25536 289 1 . 1 1 74 74 VAL N N 74 122.542 122.542 125.889 -3.347 25536 290 1 . 1 1 74 74 VAL HA H 74 3.948 3.948 4.298 -0.350 25536 291 1 . 1 1 74 74 VAL C C 74 174.756 174.756 174.208 0.548 25536 292 1 . 1 1 74 74 VAL CA C 74 61.622 61.622 60.998 0.624 25536 293 1 . 1 1 74 74 VAL CB C 74 32.814 32.814 32.655 0.159 25536 294 1 . 1 1 74 74 VAL H H 74 8.456 8.456 8.495 -0.039 25536 295 1 . 1 1 75 75 TYR N N 75 125.680 125.680 125.900 -0.220 25536 296 1 . 1 1 75 75 TYR HA H 75 4.759 4.759 5.184 -0.425 25536 297 1 . 1 1 75 75 TYR C C 75 174.923 174.923 175.261 -0.338 25536 298 1 . 1 1 75 75 TYR CA C 75 57.812 57.812 57.082 0.730 25536 299 1 . 1 1 75 75 TYR CB C 75 38.849 38.849 38.739 0.110 25536 300 1 . 1 1 75 75 TYR H H 75 8.213 8.213 8.978 -0.765 25536 301 1 . 1 1 76 76 CYS N N 76 116.702 116.702 120.469 -3.767 25536 302 1 . 1 1 76 76 CYS HA H 76 4.739 4.739 4.605 0.134 25536 303 1 . 1 1 76 76 CYS C C 76 174.231 174.231 175.384 -1.153 25536 304 1 . 1 1 76 76 CYS CA C 76 56.103 56.103 58.735 -2.632 25536 305 1 . 1 1 76 76 CYS CB C 76 29.697 29.697 27.955 1.742 25536 306 1 . 1 1 76 76 CYS H H 76 8.307 8.307 8.784 -0.477 25536 307 1 . 1 1 77 77 GLY N N 77 111.569 111.569 109.260 2.309 25536 308 1 . 1 1 77 77 GLY C C 77 174.662 174.662 175.055 -0.393 25536 309 1 . 1 1 77 77 GLY CA C 77 47.149 47.149 46.644 0.505 25536 310 1 . 1 1 77 77 GLY H H 77 8.484 8.484 7.862 0.622 25536 311 1 . 1 1 78 78 GLY N N 78 113.022 113.022 112.743 0.279 25536 312 1 . 1 1 78 78 GLY C C 78 172.811 172.811 174.215 -1.404 25536 313 1 . 1 1 78 78 GLY CA C 78 45.760 45.760 44.796 0.964 25536 314 1 . 1 1 78 78 GLY H H 78 8.889 8.889 8.570 0.319 25536 315 1 . 1 1 79 79 ASP N N 79 119.431 119.431 120.285 -0.854 25536 316 1 . 1 1 79 79 ASP HA H 79 4.888 4.888 4.920 -0.032 25536 317 1 . 1 1 79 79 ASP C C 79 176.302 176.302 176.174 0.128 25536 318 1 . 1 1 79 79 ASP CA C 79 53.093 53.093 53.355 -0.262 25536 319 1 . 1 1 79 79 ASP CB C 79 47.264 47.264 43.042 4.222 25536 320 1 . 1 1 79 79 ASP H H 79 7.789 7.789 7.854 -0.065 25536 321 1 . 1 1 80 80 LEU N N 80 128.421 128.421 124.425 3.996 25536 322 1 . 1 1 80 80 LEU HA H 80 4.064 4.064 4.180 -0.116 25536 323 1 . 1 1 80 80 LEU C C 80 179.059 179.059 178.495 0.564 25536 324 1 . 1 1 80 80 LEU CA C 80 58.803 58.803 57.871 0.932 25536 325 1 . 1 1 80 80 LEU CB C 80 42.403 42.403 42.253 0.150 25536 326 1 . 1 1 80 80 LEU H H 80 8.549 8.549 9.001 -0.452 25536 327 1 . 1 1 81 81 LEU N N 81 118.633 118.633 119.832 -1.199 25536 328 1 . 1 1 81 81 LEU HA H 81 3.867 3.867 3.929 -0.062 25536 329 1 . 1 1 81 81 LEU C C 81 178.542 178.542 178.298 0.244 25536 330 1 . 1 1 81 81 LEU CA C 81 58.771 58.771 58.025 0.746 25536 331 1 . 1 1 81 81 LEU CB C 81 42.649 42.649 41.191 1.458 25536 332 1 . 1 1 81 81 LEU H H 81 9.973 9.973 8.318 1.655 25536 333 1 . 1 1 82 82 GLY N N 82 105.564 105.564 105.668 -0.104 25536 334 1 . 1 1 82 82 GLY C C 82 176.907 176.907 175.772 1.135 25536 335 1 . 1 1 82 82 GLY CA C 82 48.063 48.063 47.063 1.000 25536 336 1 . 1 1 82 82 GLY H H 82 7.559 7.559 8.009 -0.450 25536 337 1 . 1 1 83 83 GLU N N 83 121.706 121.706 122.520 -0.814 25536 338 1 . 1 1 83 83 GLU HA H 83 3.982 3.982 4.088 -0.106 25536 339 1 . 1 1 83 83 GLU C C 83 179.215 179.215 178.575 0.640 25536 340 1 . 1 1 83 83 GLU CA C 83 59.161 59.161 58.813 0.348 25536 341 1 . 1 1 83 83 GLU CB C 83 29.493 29.493 29.494 -0.001 25536 342 1 . 1 1 83 83 GLU H H 83 7.536 7.536 8.085 -0.549 25536 343 1 . 1 1 84 84 LEU N N 84 118.455 118.455 120.609 -2.154 25536 344 1 . 1 1 84 84 LEU HA H 84 4.024 4.024 4.050 -0.026 25536 345 1 . 1 1 84 84 LEU C C 84 178.842 178.842 178.425 0.417 25536 346 1 . 1 1 84 84 LEU CA C 84 57.475 57.475 57.306 0.169 25536 347 1 . 1 1 84 84 LEU CB C 84 42.487 42.487 42.023 0.464 25536 348 1 . 1 1 84 84 LEU H H 84 7.701 7.701 8.057 -0.356 25536 349 1 . 1 1 85 85 LEU N N 85 115.271 115.271 116.216 -0.945 25536 350 1 . 1 1 85 85 LEU HA H 85 3.776 3.776 4.007 -0.231 25536 351 1 . 1 1 85 85 LEU C C 85 177.773 177.773 177.885 -0.112 25536 352 1 . 1 1 85 85 LEU CA C 85 56.375 56.375 56.275 0.100 25536 353 1 . 1 1 85 85 LEU CB C 85 43.893 43.893 42.589 1.304 25536 354 1 . 1 1 85 85 LEU H H 85 8.117 8.117 8.041 0.076 25536 355 1 . 1 1 86 86 GLY N N 86 107.216 107.216 104.994 2.222 25536 356 1 . 1 1 86 86 GLY C C 86 174.090 174.090 173.849 0.241 25536 357 1 . 1 1 86 86 GLY CA C 86 46.315 46.315 45.314 1.001 25536 358 1 . 1 1 86 86 GLY H H 86 7.983 7.983 8.085 -0.102 25536 359 1 . 1 1 87 87 ARG N N 87 113.296 113.296 117.303 -4.007 25536 360 1 . 1 1 87 87 ARG HA H 87 4.654 4.654 4.707 -0.053 25536 361 1 . 1 1 87 87 ARG C C 87 174.720 174.720 175.024 -0.304 25536 362 1 . 1 1 87 87 ARG CA C 87 54.279 54.279 54.073 0.206 25536 363 1 . 1 1 87 87 ARG CB C 87 34.395 34.395 31.957 2.438 25536 364 1 . 1 1 87 87 ARG H H 87 7.411 7.411 7.579 -0.168 25536 365 1 . 1 1 88 88 GLN N N 88 115.575 115.575 120.486 -4.911 25536 366 1 . 1 1 88 88 GLN HA H 88 4.053 4.053 4.309 -0.256 25536 367 1 . 1 1 88 88 GLN C C 88 175.946 175.946 175.126 0.820 25536 368 1 . 1 1 88 88 GLN CA C 88 57.412 57.412 57.413 -0.002 25536 369 1 . 1 1 88 88 GLN CB C 88 29.790 29.790 29.123 0.667 25536 370 1 . 1 1 88 88 GLN H H 88 8.653 8.653 8.816 -0.163 25536 371 1 . 1 1 89 89 SER N N 89 110.451 110.451 112.065 -1.614 25536 372 1 . 1 1 89 89 SER HA H 89 5.428 5.428 5.233 0.195 25536 373 1 . 1 1 89 89 SER C C 89 173.062 173.062 172.921 0.141 25536 374 1 . 1 1 89 89 SER CA C 89 57.011 57.011 56.695 0.316 25536 375 1 . 1 1 89 89 SER CB C 89 66.560 66.560 66.009 0.551 25536 376 1 . 1 1 89 89 SER H H 89 7.625 7.625 7.549 0.076 25536 377 1 . 1 1 90 90 PHE N N 90 115.159 115.159 116.412 -1.253 25536 378 1 . 1 1 90 90 PHE HA H 90 4.685 4.685 4.941 -0.256 25536 379 1 . 1 1 90 90 PHE C C 90 170.337 170.337 172.552 -2.215 25536 380 1 . 1 1 90 90 PHE CA C 90 57.198 57.198 57.153 0.045 25536 381 1 . 1 1 90 90 PHE CB C 90 40.412 40.412 40.397 0.015 25536 382 1 . 1 1 90 90 PHE H H 90 8.549 8.549 7.907 0.643 25536 383 1 . 1 1 91 91 SER N N 91 113.637 113.637 114.167 -0.530 25536 384 1 . 1 1 91 91 SER HA H 91 5.350 5.350 5.131 0.219 25536 385 1 . 1 1 91 91 SER C C 91 178.100 178.100 176.017 2.083 25536 386 1 . 1 1 91 91 SER CA C 91 54.748 54.748 55.189 -0.441 25536 387 1 . 1 1 91 91 SER CB C 91 65.325 65.325 66.268 -0.943 25536 388 1 . 1 1 91 91 SER H H 91 9.010 9.010 8.288 0.722 25536 389 1 . 1 1 92 92 VAL N N 92 120.560 120.560 122.592 -2.032 25536 390 1 . 1 1 92 92 VAL HA H 92 3.908 3.908 3.928 -0.020 25536 391 1 . 1 1 92 92 VAL C C 92 175.704 175.704 176.575 -0.871 25536 392 1 . 1 1 92 92 VAL CA C 92 64.000 64.000 65.323 -1.323 25536 393 1 . 1 1 92 92 VAL CB C 92 30.800 30.800 31.804 -1.004 25536 394 1 . 1 1 92 92 VAL H H 92 8.948 8.948 8.875 0.073 25536 395 1 . 1 1 93 93 LYS N N 93 116.481 116.481 118.583 -2.102 25536 396 1 . 1 1 93 93 LYS HA H 93 3.947 3.947 4.313 -0.366 25536 397 1 . 1 1 93 93 LYS C C 93 177.088 177.088 176.070 1.018 25536 398 1 . 1 1 93 93 LYS CA C 93 57.699 57.699 56.865 0.834 25536 399 1 . 1 1 93 93 LYS CB C 93 32.258 32.258 33.054 -0.796 25536 400 1 . 1 1 93 93 LYS H H 93 8.086 8.086 7.738 0.348 25536 401 1 . 1 1 94 94 ASP N N 94 114.885 114.885 119.175 -4.290 25536 402 1 . 1 1 94 94 ASP HA H 94 4.942 4.942 5.074 -0.132 25536 403 1 . 1 1 94 94 ASP C C 94 173.021 173.021 175.056 -2.035 25536 404 1 . 1 1 94 94 ASP CA C 94 51.589 51.589 51.432 0.157 25536 405 1 . 1 1 94 94 ASP CB C 94 41.445 41.445 41.762 -0.318 25536 406 1 . 1 1 94 94 ASP H H 94 7.399 7.399 7.810 -0.411 25536 407 1 . 1 1 95 95 PRO HA H 95 4.418 4.418 4.736 -0.318 25536 408 1 . 1 1 95 95 PRO CA C 95 63.647 63.647 63.605 0.042 25536 409 1 . 1 1 95 95 PRO CB C 95 32.760 32.760 32.728 0.032 25536 410 1 . 1 1 96 96 SER N N 96 118.790 118.790 116.890 1.900 25536 411 1 . 1 1 96 96 SER HA H 96 4.219 4.219 4.183 0.036 25536 412 1 . 1 1 96 96 SER C C 96 173.615 173.615 174.005 -0.390 25536 413 1 . 1 1 96 96 SER CA C 96 64.525 64.525 63.668 0.857 25536 414 1 . 1 1 96 96 SER CB C 96 61.994 61.994 61.149 0.844 25536 415 1 . 1 1 96 96 SER H H 96 8.052 8.052 8.561 -0.509 25536 416 1 . 1 1 97 97 PRO HA H 97 4.347 4.347 4.359 -0.012 25536 417 1 . 1 1 97 97 PRO CA C 97 66.016 66.016 65.170 0.846 25536 418 1 . 1 1 97 97 PRO CB C 97 31.612 31.612 31.362 0.250 25536 419 1 . 1 1 98 98 LEU N N 98 117.938 117.938 119.617 -1.679 25536 420 1 . 1 1 98 98 LEU HA H 98 3.596 3.596 3.836 -0.240 25536 421 1 . 1 1 98 98 LEU C C 98 178.196 178.196 178.563 -0.367 25536 422 1 . 1 1 98 98 LEU CA C 98 57.284 57.284 57.972 -0.688 25536 423 1 . 1 1 98 98 LEU CB C 98 41.409 41.409 41.033 0.376 25536 424 1 . 1 1 98 98 LEU H H 98 7.076 7.076 7.758 -0.682 25536 425 1 . 1 1 99 99 TYR N N 99 117.957 117.957 117.836 0.121 25536 426 1 . 1 1 99 99 TYR HA H 99 4.150 4.150 4.038 0.112 25536 427 1 . 1 1 99 99 TYR C C 99 178.767 178.767 178.184 0.584 25536 428 1 . 1 1 99 99 TYR CA C 99 61.223 61.223 61.698 -0.475 25536 429 1 . 1 1 99 99 TYR CB C 99 37.038 37.038 37.586 -0.548 25536 430 1 . 1 1 99 99 TYR H H 99 7.547 7.547 7.670 -0.123 25536 431 1 . 1 1 100 100 ASP N N 100 119.536 119.536 120.039 -0.503 25536 432 1 . 1 1 100 100 ASP HA H 100 4.326 4.326 4.368 -0.042 25536 433 1 . 1 1 100 100 ASP C C 100 177.737 177.737 178.114 -0.377 25536 434 1 . 1 1 100 100 ASP CA C 100 57.875 57.875 57.287 0.588 25536 435 1 . 1 1 100 100 ASP CB C 100 41.141 41.141 40.909 0.231 25536 436 1 . 1 1 100 100 ASP H H 100 8.292 8.292 8.112 0.180 25536 437 1 . 1 1 101 101 MET N N 101 118.757 118.757 117.659 1.098 25536 438 1 . 1 1 101 101 MET HA H 101 3.964 3.964 4.255 -0.291 25536 439 1 . 1 1 101 101 MET C C 101 180.006 180.006 177.334 2.672 25536 440 1 . 1 1 101 101 MET CA C 101 59.710 59.710 58.140 1.570 25536 441 1 . 1 1 101 101 MET CB C 101 31.642 31.642 32.363 -0.721 25536 442 1 . 1 1 101 101 MET H H 101 7.226 7.226 7.677 -0.451 25536 443 1 . 1 1 102 102 LEU N N 102 121.624 121.624 119.569 2.055 25536 444 1 . 1 1 102 102 LEU HA H 102 3.696 3.696 4.052 -0.356 25536 445 1 . 1 1 102 102 LEU C C 102 178.566 178.566 179.014 -0.448 25536 446 1 . 1 1 102 102 LEU CA C 102 58.927 58.927 57.098 1.829 25536 447 1 . 1 1 102 102 LEU CB C 102 41.485 41.485 41.521 -0.036 25536 448 1 . 1 1 102 102 LEU H H 102 8.472 8.472 7.849 0.623 25536 449 1 . 1 1 103 103 ARG N N 103 117.111 117.111 118.804 -1.693 25536 450 1 . 1 1 103 103 ARG HA H 103 3.970 3.970 4.049 -0.079 25536 451 1 . 1 1 103 103 ARG C C 103 178.818 178.818 177.900 0.918 25536 452 1 . 1 1 103 103 ARG CA C 103 59.503 59.503 59.041 0.462 25536 453 1 . 1 1 103 103 ARG CB C 103 30.295 30.295 30.095 0.200 25536 454 1 . 1 1 103 103 ARG H H 103 7.932 7.932 8.425 -0.493 25536 455 1 . 1 1 104 104 LYS N N 104 114.172 114.172 114.896 -0.724 25536 456 1 . 1 1 104 104 LYS HA H 104 4.222 4.222 4.397 -0.175 25536 457 1 . 1 1 104 104 LYS C C 104 177.556 177.556 177.358 0.198 25536 458 1 . 1 1 104 104 LYS CA C 104 57.960 57.960 56.701 1.259 25536 459 1 . 1 1 104 104 LYS CB C 104 34.227 34.227 32.062 2.165 25536 460 1 . 1 1 104 104 LYS H H 104 7.157 7.157 7.755 -0.598 25536 461 1 . 1 1 105 105 ASN N N 105 114.145 114.145 117.273 -3.128 25536 462 1 . 1 1 105 105 ASN HA H 105 4.731 4.731 4.782 -0.051 25536 463 1 . 1 1 105 105 ASN C C 105 172.822 172.822 174.619 -1.797 25536 464 1 . 1 1 105 105 ASN CA C 105 54.843 54.843 54.632 0.211 25536 465 1 . 1 1 105 105 ASN CB C 105 42.645 42.645 40.952 1.693 25536 466 1 . 1 1 105 105 ASN H H 105 7.665 7.665 7.910 -0.245 25536 467 1 . 1 1 106 106 LEU N N 106 118.600 118.600 119.548 -0.948 25536 468 1 . 1 1 106 106 LEU HA H 106 4.671 4.671 4.725 -0.054 25536 469 1 . 1 1 106 106 LEU C C 106 175.658 175.658 175.113 0.545 25536 470 1 . 1 1 106 106 LEU CA C 106 54.158 54.158 54.359 -0.201 25536 471 1 . 1 1 106 106 LEU CB C 106 43.565 43.565 44.266 -0.701 25536 472 1 . 1 1 106 106 LEU H H 106 7.439 7.439 8.117 -0.678 25536 473 1 . 1 1 107 107 VAL N N 107 122.739 122.739 124.257 -1.518 25536 474 1 . 1 1 107 107 VAL HA H 107 4.208 4.208 4.231 -0.023 25536 475 1 . 1 1 107 107 VAL C C 107 176.054 176.054 175.762 0.292 25536 476 1 . 1 1 107 107 VAL CA C 107 62.216 62.216 62.004 0.212 25536 477 1 . 1 1 107 107 VAL CB C 107 33.580 33.580 32.799 0.781 25536 478 1 . 1 1 107 107 VAL H H 107 8.182 8.182 8.377 -0.195 25536 479 1 . 1 1 108 108 THR N N 108 120.854 120.854 117.169 3.685 25536 480 1 . 1 1 108 108 THR HA H 108 4.336 4.336 4.406 -0.070 25536 481 1 . 1 1 108 108 THR C C 108 174.216 174.216 174.828 -0.612 25536 482 1 . 1 1 108 108 THR CA C 108 62.726 62.726 61.229 1.497 25536 483 1 . 1 1 108 108 THR CB C 108 70.080 70.080 70.052 0.028 25536 484 1 . 1 1 108 108 THR H H 108 8.524 8.524 7.948 0.576 25536 485 1 . 1 1 109 109 LEU N N 109 125.529 125.529 123.508 2.021 25536 486 1 . 1 1 109 109 LEU HA H 109 4.352 4.352 4.299 0.053 25536 487 1 . 1 1 109 109 LEU C C 109 176.523 176.523 176.382 0.141 25536 488 1 . 1 1 109 109 LEU CA C 109 55.047 55.047 55.666 -0.619 25536 489 1 . 1 1 109 109 LEU CB C 109 42.590 42.590 41.996 0.594 25536 490 1 . 1 1 109 109 LEU H H 109 8.313 8.313 8.497 -0.184 25536 491 1 . 1 1 110 110 ALA N N 110 125.099 125.099 122.129 2.970 25536 492 1 . 1 1 110 110 ALA HA H 110 4.366 4.366 4.270 0.096 25536 493 1 . 1 1 110 110 ALA C C 110 176.847 176.847 176.587 0.260 25536 494 1 . 1 1 110 110 ALA CA C 110 52.628 52.628 52.752 -0.123 25536 495 1 . 1 1 110 110 ALA CB C 110 19.706 19.706 19.300 0.406 25536 496 1 . 1 1 110 110 ALA H H 110 8.257 8.257 7.727 0.530 25536 stop_ save_