data_19642 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19642 _Entry.PDB_ID 2MHN 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 19642 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.726 -0.033 19642 2 1 1 . 1 1 2 2 HIS C C 2 175.244 175.244 174.735 0.509 19642 3 1 1 . 1 1 2 2 HIS CA C 2 55.849 55.849 55.492 0.357 19642 4 1 1 . 1 1 2 2 HIS CB C 2 30.165 30.165 30.570 -0.405 19642 5 1 1 . 1 1 3 3 MET HA H 3 4.464 4.464 4.540 -0.076 19642 6 1 1 . 1 1 3 3 MET C C 3 175.896 175.896 175.858 0.038 19642 7 1 1 . 1 1 3 3 MET CA C 3 55.188 55.188 56.094 -0.906 19642 8 1 1 . 1 1 3 3 MET CB C 3 32.736 32.736 32.509 0.227 19642 9 1 1 . 1 1 4 4 ASN N N 4 120.610 120.610 117.866 2.744 19642 10 1 1 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.858 -0.106 19642 11 1 1 . 1 1 4 4 ASN C C 4 175.033 175.033 174.392 0.641 19642 12 1 1 . 1 1 4 4 ASN CA C 4 52.728 52.728 52.337 0.391 19642 13 1 1 . 1 1 4 4 ASN CB C 4 38.604 38.604 40.113 -1.509 19642 14 1 1 . 1 1 4 4 ASN H H 4 8.564 8.564 8.069 0.495 19642 15 1 1 . 1 1 5 5 LEU N N 5 122.314 122.314 120.990 1.324 19642 16 1 1 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.686 -0.075 19642 17 1 1 . 1 1 5 5 LEU C C 5 178.178 178.178 177.189 0.989 19642 18 1 1 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.401 -0.096 19642 19 1 1 . 1 1 5 5 LEU CB C 5 43.343 43.343 42.736 0.607 19642 20 1 1 . 1 1 5 5 LEU H H 5 8.046 8.046 8.316 -0.270 19642 21 1 1 . 1 1 6 6 THR N N 6 115.483 115.483 113.664 1.819 19642 22 1 1 . 1 1 6 6 THR HA H 6 4.626 4.626 4.806 -0.180 19642 23 1 1 . 1 1 6 6 THR CA C 6 60.039 60.039 58.420 1.619 19642 24 1 1 . 1 1 6 6 THR CB C 6 68.119 68.119 70.598 -2.479 19642 25 1 1 . 1 1 6 6 THR H H 6 8.948 8.948 8.203 0.745 19642 26 1 1 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.238 -0.095 19642 27 1 1 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.359 0.214 19642 28 1 1 . 1 1 7 7 PRO CB C 7 31.640 31.640 32.132 -0.492 19642 29 1 1 . 1 1 8 8 GLU N N 8 116.691 116.691 117.823 -1.132 19642 30 1 1 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.173 -0.062 19642 31 1 1 . 1 1 8 8 GLU CA C 8 59.572 59.572 58.357 1.215 19642 32 1 1 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.104 -0.215 19642 33 1 1 . 1 1 8 8 GLU H H 8 8.753 8.753 8.131 0.622 19642 34 1 1 . 1 1 9 9 GLU N N 9 121.235 121.235 119.797 1.438 19642 35 1 1 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.084 -0.043 19642 36 1 1 . 1 1 9 9 GLU C C 9 180.194 180.194 179.020 1.174 19642 37 1 1 . 1 1 9 9 GLU CA C 9 58.527 58.527 58.953 -0.426 19642 38 1 1 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.584 0.983 19642 39 1 1 . 1 1 9 9 GLU H H 9 7.823 7.823 7.594 0.229 19642 40 1 1 . 1 1 10 10 ARG N N 10 120.373 120.373 119.245 1.128 19642 41 1 1 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.082 -0.195 19642 42 1 1 . 1 1 10 10 ARG C C 10 180.714 180.714 178.862 1.852 19642 43 1 1 . 1 1 10 10 ARG CA C 10 59.785 59.785 59.124 0.661 19642 44 1 1 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.022 -0.151 19642 45 1 1 . 1 1 10 10 ARG H H 10 8.363 8.363 7.561 0.802 19642 46 1 1 . 1 1 11 11 ASP N N 11 123.103 123.103 119.659 3.444 19642 47 1 1 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.357 -0.043 19642 48 1 1 . 1 1 11 11 ASP C C 11 179.081 179.081 176.820 2.261 19642 49 1 1 . 1 1 11 11 ASP CA C 11 57.683 57.683 57.167 0.516 19642 50 1 1 . 1 1 11 11 ASP CB C 11 40.022 40.022 40.785 -0.763 19642 51 1 1 . 1 1 11 11 ASP H H 11 8.709 8.709 7.707 1.002 19642 52 1 1 . 1 1 12 12 ALA N N 12 119.926 119.926 117.989 1.937 19642 53 1 1 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.280 -0.037 19642 54 1 1 . 1 1 12 12 ALA C C 12 177.593 177.593 178.225 -0.632 19642 55 1 1 . 1 1 12 12 ALA CA C 12 53.808 53.808 52.451 1.357 19642 56 1 1 . 1 1 12 12 ALA CB C 12 18.341 18.341 18.494 -0.153 19642 57 1 1 . 1 1 12 12 ALA H H 12 7.615 7.615 7.201 0.414 19642 58 1 1 . 1 1 13 13 ARG N N 13 113.504 113.504 117.350 -3.846 19642 59 1 1 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.254 0.173 19642 60 1 1 . 1 1 13 13 ARG C C 13 174.905 174.905 177.139 -2.234 19642 61 1 1 . 1 1 13 13 ARG CA C 13 55.588 55.588 55.912 -0.324 19642 62 1 1 . 1 1 13 13 ARG CB C 13 30.789 30.789 29.775 1.014 19642 63 1 1 . 1 1 13 13 ARG H H 13 7.204 7.204 7.514 -0.310 19642 64 1 1 . 1 1 14 14 THR N N 14 117.103 117.103 116.667 0.436 19642 65 1 1 . 1 1 14 14 THR HA H 14 5.589 5.589 4.473 1.116 19642 66 1 1 . 1 1 14 14 THR C C 14 174.610 174.610 174.385 0.225 19642 67 1 1 . 1 1 14 14 THR CA C 14 61.993 61.993 64.538 -2.545 19642 68 1 1 . 1 1 14 14 THR CB C 14 70.185 70.185 69.355 0.830 19642 69 1 1 . 1 1 14 14 THR H H 14 7.685 7.685 7.431 0.254 19642 70 1 1 . 1 1 15 15 VAL N N 15 117.127 117.127 120.399 -3.272 19642 71 1 1 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.648 0.432 19642 72 1 1 . 1 1 15 15 VAL C C 15 173.786 173.786 174.778 -0.992 19642 73 1 1 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.400 -1.815 19642 74 1 1 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.425 0.398 19642 75 1 1 . 1 1 15 15 VAL H H 15 9.154 9.154 8.910 0.244 19642 76 1 1 . 1 1 16 16 PHE N N 16 122.697 122.697 129.371 -6.674 19642 77 1 1 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.760 0.423 19642 78 1 1 . 1 1 16 16 PHE C C 16 174.520 174.520 175.265 -0.745 19642 79 1 1 . 1 1 16 16 PHE CA C 16 54.981 54.981 56.567 -1.586 19642 80 1 1 . 1 1 16 16 PHE CB C 16 42.266 42.266 39.315 2.951 19642 81 1 1 . 1 1 16 16 PHE H H 16 9.359 9.359 8.968 0.391 19642 82 1 1 . 1 1 17 17 CYS N N 17 122.356 122.356 128.414 -6.058 19642 83 1 1 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.541 1.026 19642 84 1 1 . 1 1 17 17 CYS C C 17 173.018 173.018 172.936 0.082 19642 85 1 1 . 1 1 17 17 CYS CA C 17 55.708 55.708 57.419 -1.711 19642 86 1 1 . 1 1 17 17 CYS CB C 17 30.776 30.776 28.752 2.024 19642 87 1 1 . 1 1 17 17 CYS H H 17 8.931 8.931 8.849 0.082 19642 88 1 1 . 1 1 18 18 MET N N 18 117.884 117.884 122.004 -4.120 19642 89 1 1 . 1 1 18 18 MET HA H 18 4.846 4.846 4.839 0.007 19642 90 1 1 . 1 1 18 18 MET C C 18 173.706 173.706 175.815 -2.109 19642 91 1 1 . 1 1 18 18 MET CA C 18 53.623 53.623 53.694 -0.071 19642 92 1 1 . 1 1 18 18 MET CB C 18 31.772 31.772 35.709 -3.937 19642 93 1 1 . 1 1 18 18 MET H H 18 8.818 8.818 8.358 0.460 19642 94 1 1 . 1 1 19 19 GLN N N 19 115.022 115.022 116.156 -1.134 19642 95 1 1 . 1 1 19 19 GLN HA H 19 3.698 3.698 3.896 -0.198 19642 96 1 1 . 1 1 19 19 GLN C C 19 173.403 173.403 174.243 -0.840 19642 97 1 1 . 1 1 19 19 GLN CA C 19 57.009 57.009 56.638 0.371 19642 98 1 1 . 1 1 19 19 GLN CB C 19 27.922 27.922 27.832 0.090 19642 99 1 1 . 1 1 19 19 GLN H H 19 8.463 8.463 8.343 0.120 19642 100 1 1 . 1 1 20 20 LEU N N 20 116.032 116.032 118.868 -2.836 19642 101 1 1 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.333 -0.079 19642 102 1 1 . 1 1 20 20 LEU C C 20 177.827 177.827 177.018 0.809 19642 103 1 1 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.189 -1.594 19642 104 1 1 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.888 0.370 19642 105 1 1 . 1 1 20 20 LEU H H 20 7.685 7.685 7.325 0.360 19642 106 1 1 . 1 1 21 21 ALA N N 21 125.644 125.644 121.528 4.116 19642 107 1 1 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.225 -0.080 19642 108 1 1 . 1 1 21 21 ALA C C 21 178.868 178.868 178.492 0.376 19642 109 1 1 . 1 1 21 21 ALA CA C 21 51.661 51.661 52.367 -0.706 19642 110 1 1 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.725 -0.371 19642 111 1 1 . 1 1 21 21 ALA H H 21 9.473 9.473 8.313 1.160 19642 112 1 1 . 1 1 22 22 ALA N N 22 124.495 124.495 124.378 0.117 19642 113 1 1 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.296 -0.187 19642 114 1 1 . 1 1 22 22 ALA C C 22 179.705 179.705 178.809 0.896 19642 115 1 1 . 1 1 22 22 ALA CA C 22 54.560 54.560 54.468 0.092 19642 116 1 1 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.919 -0.561 19642 117 1 1 . 1 1 22 22 ALA H H 22 8.583 8.583 8.767 -0.184 19642 118 1 1 . 1 1 23 23 ARG N N 23 111.716 111.716 115.233 -3.517 19642 119 1 1 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.440 -0.072 19642 120 1 1 . 1 1 23 23 ARG C C 23 176.243 176.243 175.889 0.354 19642 121 1 1 . 1 1 23 23 ARG CA C 23 55.136 55.136 54.695 0.441 19642 122 1 1 . 1 1 23 23 ARG CB C 23 29.161 29.161 29.964 -0.803 19642 123 1 1 . 1 1 23 23 ARG H H 23 7.905 7.905 8.211 -0.306 19642 124 1 1 . 1 1 24 24 ILE N N 24 121.734 121.734 121.976 -0.242 19642 125 1 1 . 1 1 24 24 ILE HA H 24 3.892 3.892 3.837 0.055 19642 126 1 1 . 1 1 24 24 ILE C C 24 173.297 173.297 174.900 -1.603 19642 127 1 1 . 1 1 24 24 ILE CA C 24 61.336 61.336 62.187 -0.851 19642 128 1 1 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.902 -0.151 19642 129 1 1 . 1 1 24 24 ILE H H 24 7.270 7.270 7.393 -0.123 19642 130 1 1 . 1 1 25 25 ARG N N 25 125.810 125.810 126.996 -1.186 19642 131 1 1 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.696 0.259 19642 132 1 1 . 1 1 25 25 ARG CA C 25 52.417 52.417 52.840 -0.423 19642 133 1 1 . 1 1 25 25 ARG CB C 25 30.964 30.964 28.959 2.006 19642 134 1 1 . 1 1 25 25 ARG H H 25 8.994 8.994 8.836 0.158 19642 135 1 1 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.265 -0.205 19642 136 1 1 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.519 1.153 19642 137 1 1 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.218 -0.758 19642 138 1 1 . 1 1 27 27 ARG N N 27 114.118 114.118 116.915 -2.797 19642 139 1 1 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.122 0.118 19642 140 1 1 . 1 1 27 27 ARG C C 27 178.376 178.376 177.285 1.091 19642 141 1 1 . 1 1 27 27 ARG CA C 27 58.115 58.115 59.127 -1.012 19642 142 1 1 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.310 0.231 19642 143 1 1 . 1 1 27 27 ARG H H 27 8.362 8.362 8.516 -0.154 19642 144 1 1 . 1 1 28 28 ASP N N 28 116.954 116.954 120.412 -3.458 19642 145 1 1 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.405 0.056 19642 146 1 1 . 1 1 28 28 ASP C C 28 180.328 180.328 178.578 1.750 19642 147 1 1 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.350 0.177 19642 148 1 1 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.684 0.880 19642 149 1 1 . 1 1 28 28 ASP H H 28 7.688 7.688 7.690 -0.002 19642 150 1 1 . 1 1 29 29 LEU N N 29 117.931 117.931 117.710 0.221 19642 151 1 1 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.075 0.242 19642 152 1 1 . 1 1 29 29 LEU C C 29 178.541 178.541 178.518 0.023 19642 153 1 1 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.148 -0.299 19642 154 1 1 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.088 0.684 19642 155 1 1 . 1 1 29 29 LEU H H 29 7.173 7.173 7.408 -0.235 19642 156 1 1 . 1 1 30 30 GLU N N 30 121.321 121.321 119.969 1.352 19642 157 1 1 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.041 -0.253 19642 158 1 1 . 1 1 30 30 GLU C C 30 179.497 179.497 178.610 0.887 19642 159 1 1 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.344 0.955 19642 160 1 1 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.162 0.510 19642 161 1 1 . 1 1 30 30 GLU H H 30 8.632 8.632 7.556 1.076 19642 162 1 1 . 1 1 31 31 GLU N N 31 118.162 118.162 119.681 -1.519 19642 163 1 1 . 1 1 31 31 GLU HA H 31 4.067 4.067 3.986 0.081 19642 164 1 1 . 1 1 31 31 GLU C C 31 179.635 179.635 178.691 0.944 19642 165 1 1 . 1 1 31 31 GLU CA C 31 59.357 59.357 59.438 -0.081 19642 166 1 1 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.282 0.214 19642 167 1 1 . 1 1 31 31 GLU H H 31 8.405 8.405 8.569 -0.164 19642 168 1 1 . 1 1 32 32 PHE N N 32 120.127 120.127 118.241 1.886 19642 169 1 1 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.149 0.204 19642 170 1 1 . 1 1 32 32 PHE C C 32 177.183 177.183 176.738 0.445 19642 171 1 1 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.531 0.410 19642 172 1 1 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.723 1.199 19642 173 1 1 . 1 1 32 32 PHE H H 32 7.767 7.767 7.537 0.230 19642 174 1 1 . 1 1 33 33 PHE N N 33 112.879 112.879 116.714 -3.835 19642 175 1 1 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.431 -0.180 19642 176 1 1 . 1 1 33 33 PHE C C 33 177.304 177.304 177.577 -0.273 19642 177 1 1 . 1 1 33 33 PHE CA C 33 61.179 61.179 59.088 2.091 19642 178 1 1 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.518 0.062 19642 179 1 1 . 1 1 33 33 PHE H H 33 8.489 8.489 7.519 0.970 19642 180 1 1 . 1 1 34 34 SER N N 34 115.870 115.870 116.605 -0.735 19642 181 1 1 . 1 1 34 34 SER HA H 34 5.119 5.119 4.355 0.764 19642 182 1 1 . 1 1 34 34 SER C C 34 175.464 175.464 177.145 -1.681 19642 183 1 1 . 1 1 34 34 SER CA C 34 61.268 61.268 61.039 0.229 19642 184 1 1 . 1 1 34 34 SER CB C 34 62.915 62.915 62.763 0.152 19642 185 1 1 . 1 1 34 34 SER H H 34 7.997 7.997 8.446 -0.449 19642 186 1 1 . 1 1 35 35 THR N N 35 110.934 110.934 117.412 -6.478 19642 187 1 1 . 1 1 35 35 THR HA H 35 4.147 4.147 4.138 0.009 19642 188 1 1 . 1 1 35 35 THR C C 35 176.410 176.410 175.538 0.872 19642 189 1 1 . 1 1 35 35 THR CA C 35 63.756 63.756 64.873 -1.117 19642 190 1 1 . 1 1 35 35 THR CB C 35 68.802 68.802 68.978 -0.176 19642 191 1 1 . 1 1 35 35 THR H H 35 7.188 7.188 7.756 -0.568 19642 192 1 1 . 1 1 36 36 VAL N N 36 111.644 111.644 113.131 -1.487 19642 193 1 1 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.705 -0.082 19642 194 1 1 . 1 1 36 36 VAL C C 36 176.046 176.046 175.184 0.862 19642 195 1 1 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.179 -0.707 19642 196 1 1 . 1 1 36 36 VAL CB C 36 32.425 32.425 33.789 -1.364 19642 197 1 1 . 1 1 36 36 VAL H H 36 7.665 7.665 7.758 -0.093 19642 198 1 1 . 1 1 37 37 GLY N N 37 109.343 109.343 108.711 0.632 19642 199 1 1 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.008 0.261 19642 200 1 1 . 1 1 37 37 GLY H H 37 7.640 7.640 7.416 0.224 19642 201 1 1 . 1 1 38 38 LYS N N 38 117.953 117.953 119.776 -1.823 19642 202 1 1 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.653 -0.114 19642 203 1 1 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.430 0.294 19642 204 1 1 . 1 1 38 38 LYS CB C 38 32.875 32.875 34.787 -1.912 19642 205 1 1 . 1 1 38 38 LYS H H 38 8.246 8.246 8.477 -0.231 19642 206 1 1 . 1 1 39 39 VAL N N 39 128.639 128.639 124.020 4.619 19642 207 1 1 . 1 1 39 39 VAL HA H 39 3.685 3.685 4.177 -0.492 19642 208 1 1 . 1 1 39 39 VAL CA C 39 62.816 62.816 61.492 1.324 19642 209 1 1 . 1 1 39 39 VAL CB C 39 32.992 32.992 33.503 -0.511 19642 210 1 1 . 1 1 39 39 VAL H H 39 9.126 9.126 8.423 0.703 19642 211 1 1 . 1 1 40 40 ARG N N 40 129.292 129.292 128.662 0.630 19642 212 1 1 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.339 -0.060 19642 213 1 1 . 1 1 40 40 ARG C C 40 175.643 175.643 175.951 -0.308 19642 214 1 1 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.544 -1.210 19642 215 1 1 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.563 0.097 19642 216 1 1 . 1 1 40 40 ARG H H 40 9.573 9.573 9.042 0.531 19642 217 1 1 . 1 1 41 41 ASP N N 41 116.255 116.255 114.457 1.798 19642 218 1 1 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.801 0.039 19642 219 1 1 . 1 1 41 41 ASP C C 41 173.674 173.674 173.604 0.070 19642 220 1 1 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.062 0.643 19642 221 1 1 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.642 0.261 19642 222 1 1 . 1 1 41 41 ASP H H 41 7.762 7.762 7.810 -0.048 19642 223 1 1 . 1 1 42 42 VAL N N 42 122.442 122.442 119.955 2.487 19642 224 1 1 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.360 0.275 19642 225 1 1 . 1 1 42 42 VAL C C 42 174.714 174.714 175.429 -0.715 19642 226 1 1 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.872 -0.598 19642 227 1 1 . 1 1 42 42 VAL CB C 42 34.832 34.832 33.136 1.696 19642 228 1 1 . 1 1 42 42 VAL H H 42 7.939 7.939 8.393 -0.454 19642 229 1 1 . 1 1 43 43 ARG N N 43 126.687 126.687 130.240 -3.553 19642 230 1 1 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.659 0.106 19642 231 1 1 . 1 1 43 43 ARG C C 43 175.278 175.278 175.391 -0.113 19642 232 1 1 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.454 -0.076 19642 233 1 1 . 1 1 43 43 ARG CB C 43 32.434 32.434 30.911 1.523 19642 234 1 1 . 1 1 43 43 ARG H H 43 9.171 9.171 8.691 0.480 19642 235 1 1 . 1 1 44 44 MET N N 44 123.092 123.092 121.771 1.321 19642 236 1 1 . 1 1 44 44 MET HA H 44 4.906 4.906 4.455 0.451 19642 237 1 1 . 1 1 44 44 MET C C 44 176.360 176.360 175.164 1.196 19642 238 1 1 . 1 1 44 44 MET CA C 44 53.152 53.152 55.849 -2.697 19642 239 1 1 . 1 1 44 44 MET CB C 44 32.940 32.940 33.155 -0.215 19642 240 1 1 . 1 1 44 44 MET H H 44 8.939 8.939 7.985 0.954 19642 241 1 1 . 1 1 45 45 ILE N N 45 124.146 124.146 127.304 -3.158 19642 242 1 1 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.131 0.329 19642 243 1 1 . 1 1 45 45 ILE C C 45 175.961 175.961 176.450 -0.489 19642 244 1 1 . 1 1 45 45 ILE CA C 45 59.947 59.947 61.567 -1.620 19642 245 1 1 . 1 1 45 45 ILE CB C 45 38.193 38.193 38.113 0.080 19642 246 1 1 . 1 1 45 45 ILE H H 45 8.319 8.319 8.350 -0.031 19642 247 1 1 . 1 1 46 46 SER N N 46 121.541 121.541 125.478 -3.937 19642 248 1 1 . 1 1 46 46 SER HA H 46 4.709 4.709 4.377 0.332 19642 249 1 1 . 1 1 46 46 SER C C 46 174.061 174.061 174.030 0.031 19642 250 1 1 . 1 1 46 46 SER CA C 46 57.381 57.381 58.547 -1.166 19642 251 1 1 . 1 1 46 46 SER CB C 46 64.273 64.273 62.597 1.676 19642 252 1 1 . 1 1 46 46 SER H H 46 8.653 8.653 8.855 -0.202 19642 253 1 1 . 1 1 47 47 ASP N N 47 123.132 123.132 126.539 -3.407 19642 254 1 1 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.710 -0.052 19642 255 1 1 . 1 1 47 47 ASP C C 47 177.203 177.203 175.586 1.617 19642 256 1 1 . 1 1 47 47 ASP CA C 47 53.662 53.662 54.055 -0.393 19642 257 1 1 . 1 1 47 47 ASP CB C 47 41.920 41.920 39.530 2.390 19642 258 1 1 . 1 1 47 47 ASP H H 47 8.598 8.598 8.502 0.096 19642 259 1 1 . 1 1 48 48 ARG N N 48 122.881 122.881 120.649 2.232 19642 260 1 1 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.476 -0.269 19642 261 1 1 . 1 1 48 48 ARG C C 48 177.090 177.090 177.339 -0.249 19642 262 1 1 . 1 1 48 48 ARG CA C 48 57.206 57.206 56.586 0.620 19642 263 1 1 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.278 -1.503 19642 264 1 1 . 1 1 48 48 ARG H H 48 8.648 8.648 8.303 0.345 19642 265 1 1 . 1 1 49 49 ASN N N 49 117.245 117.245 119.608 -2.363 19642 266 1 1 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.481 0.265 19642 267 1 1 . 1 1 49 49 ASN C C 49 175.822 175.822 175.971 -0.149 19642 268 1 1 . 1 1 49 49 ASN CA C 49 53.592 53.592 54.578 -0.986 19642 269 1 1 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.139 0.771 19642 270 1 1 . 1 1 49 49 ASN H H 49 8.502 8.502 8.228 0.274 19642 271 1 1 . 1 1 50 50 SER N N 50 114.891 114.891 111.502 3.389 19642 272 1 1 . 1 1 50 50 SER HA H 50 4.429 4.429 4.047 0.382 19642 273 1 1 . 1 1 50 50 SER C C 50 175.339 175.339 173.648 1.691 19642 274 1 1 . 1 1 50 50 SER CA C 50 58.396 58.396 59.303 -0.907 19642 275 1 1 . 1 1 50 50 SER CB C 50 63.681 63.681 62.735 0.946 19642 276 1 1 . 1 1 50 50 SER H H 50 8.158 8.158 8.302 -0.144 19642 277 1 1 . 1 1 51 51 ARG N N 51 120.957 120.957 118.049 2.908 19642 278 1 1 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.474 -0.185 19642 279 1 1 . 1 1 51 51 ARG C C 51 176.845 176.845 175.856 0.989 19642 280 1 1 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.649 0.023 19642 281 1 1 . 1 1 51 51 ARG CB C 51 29.620 29.620 32.501 -2.881 19642 282 1 1 . 1 1 51 51 ARG H H 51 8.451 8.451 8.584 -0.133 19642 283 1 1 . 1 1 52 52 ARG N N 52 119.405 119.405 119.876 -0.471 19642 284 1 1 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.521 -0.101 19642 285 1 1 . 1 1 52 52 ARG CA C 52 55.765 55.765 55.124 0.641 19642 286 1 1 . 1 1 52 52 ARG CB C 52 30.875 30.875 31.155 -0.280 19642 287 1 1 . 1 1 52 52 ARG H H 52 8.159 8.159 8.409 -0.250 19642 288 1 1 . 1 1 53 53 SER N N 53 116.328 116.328 116.599 -0.271 19642 289 1 1 . 1 1 53 53 SER HA H 53 4.492 4.492 4.366 0.126 19642 290 1 1 . 1 1 53 53 SER CA C 53 58.142 58.142 59.598 -1.456 19642 291 1 1 . 1 1 53 53 SER CB C 53 63.447 63.447 63.300 0.147 19642 292 1 1 . 1 1 53 53 SER H H 53 8.370 8.370 8.561 -0.191 19642 293 1 1 . 1 1 54 54 LYS N N 54 122.099 122.099 116.975 5.124 19642 294 1 1 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.212 0.287 19642 295 1 1 . 1 1 54 54 LYS CA C 54 55.563 55.563 56.696 -1.133 19642 296 1 1 . 1 1 54 54 LYS CB C 54 33.079 33.079 30.280 2.799 19642 297 1 1 . 1 1 54 54 LYS H H 54 8.374 8.374 8.224 0.150 19642 298 1 1 . 1 1 55 55 GLY N N 55 109.513 109.513 104.601 4.912 19642 299 1 1 . 1 1 55 55 GLY C C 55 172.962 172.962 172.231 0.731 19642 300 1 1 . 1 1 55 55 GLY CA C 55 45.894 45.894 45.810 0.083 19642 301 1 1 . 1 1 55 55 GLY H H 55 8.592 8.592 8.049 0.543 19642 302 1 1 . 1 1 56 56 ILE N N 56 114.180 114.180 115.733 -1.553 19642 303 1 1 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.356 -0.344 19642 304 1 1 . 1 1 56 56 ILE C C 56 175.172 175.172 173.506 1.666 19642 305 1 1 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.090 -0.359 19642 306 1 1 . 1 1 56 56 ILE CB C 56 42.162 42.162 42.107 0.055 19642 307 1 1 . 1 1 56 56 ILE H H 56 7.618 7.618 7.517 0.101 19642 308 1 1 . 1 1 57 57 ALA N N 57 121.556 121.556 123.708 -2.152 19642 309 1 1 . 1 1 57 57 ALA HA H 57 5.120 5.120 4.744 0.376 19642 310 1 1 . 1 1 57 57 ALA C C 57 175.094 175.094 174.586 0.508 19642 311 1 1 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.565 -0.866 19642 312 1 1 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.819 1.351 19642 313 1 1 . 1 1 57 57 ALA H H 57 8.308 8.308 8.776 -0.468 19642 314 1 1 . 1 1 58 58 TYR N N 58 118.387 118.387 118.658 -0.271 19642 315 1 1 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.400 0.081 19642 316 1 1 . 1 1 58 58 TYR C C 58 175.537 175.537 175.108 0.429 19642 317 1 1 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.984 -0.470 19642 318 1 1 . 1 1 58 58 TYR CB C 58 40.607 40.607 41.010 -0.403 19642 319 1 1 . 1 1 58 58 TYR H H 58 8.971 8.971 8.169 0.802 19642 320 1 1 . 1 1 59 59 VAL N N 59 122.978 122.978 124.405 -1.427 19642 321 1 1 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.341 0.035 19642 322 1 1 . 1 1 59 59 VAL C C 59 172.631 172.631 175.665 -3.034 19642 323 1 1 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.594 -0.377 19642 324 1 1 . 1 1 59 59 VAL CB C 59 33.575 33.575 33.327 0.249 19642 325 1 1 . 1 1 59 59 VAL H H 59 8.828 8.828 9.179 -0.351 19642 326 1 1 . 1 1 60 60 GLU N N 60 128.557 128.557 128.339 0.218 19642 327 1 1 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.505 0.345 19642 328 1 1 . 1 1 60 60 GLU C C 60 176.210 176.210 175.673 0.537 19642 329 1 1 . 1 1 60 60 GLU CA C 60 53.842 53.842 56.277 -2.435 19642 330 1 1 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.432 2.671 19642 331 1 1 . 1 1 60 60 GLU H H 60 8.774 8.774 8.703 0.071 19642 332 1 1 . 1 1 61 61 PHE N N 61 126.659 126.659 123.910 2.749 19642 333 1 1 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.538 0.378 19642 334 1 1 . 1 1 61 61 PHE C C 61 176.011 176.011 176.206 -0.195 19642 335 1 1 . 1 1 61 61 PHE CA C 61 58.586 58.586 59.457 -0.871 19642 336 1 1 . 1 1 61 61 PHE CB C 61 41.038 41.038 40.469 0.568 19642 337 1 1 . 1 1 61 61 PHE H H 61 9.340 9.340 8.614 0.726 19642 338 1 1 . 1 1 62 62 VAL N N 62 118.280 118.280 117.297 0.983 19642 339 1 1 . 1 1 62 62 VAL HA H 62 3.743 3.743 4.072 -0.329 19642 340 1 1 . 1 1 62 62 VAL C C 62 176.097 176.097 175.357 0.740 19642 341 1 1 . 1 1 62 62 VAL CA C 62 65.785 65.785 63.010 2.775 19642 342 1 1 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.093 0.718 19642 343 1 1 . 1 1 62 62 VAL H H 62 8.184 8.184 8.330 -0.146 19642 344 1 1 . 1 1 63 63 ASP N N 63 118.269 118.269 118.410 -0.141 19642 345 1 1 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.791 0.401 19642 346 1 1 . 1 1 63 63 ASP C C 63 176.648 176.648 176.548 0.100 19642 347 1 1 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.898 -0.259 19642 348 1 1 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.583 0.987 19642 349 1 1 . 1 1 63 63 ASP H H 63 8.708 8.708 7.689 1.019 19642 350 1 1 . 1 1 64 64 VAL N N 64 121.961 121.961 124.994 -3.033 19642 351 1 1 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.700 0.111 19642 352 1 1 . 1 1 64 64 VAL C C 64 178.439 178.439 176.562 1.877 19642 353 1 1 . 1 1 64 64 VAL CA C 64 64.819 64.819 65.262 -0.443 19642 354 1 1 . 1 1 64 64 VAL CB C 64 32.050 32.050 31.961 0.089 19642 355 1 1 . 1 1 64 64 VAL H H 64 8.609 8.609 8.705 -0.096 19642 356 1 1 . 1 1 65 65 SER N N 65 115.305 115.305 114.843 0.462 19642 357 1 1 . 1 1 65 65 SER HA H 65 4.143 4.143 4.345 -0.202 19642 358 1 1 . 1 1 65 65 SER C C 65 176.285 176.285 175.732 0.553 19642 359 1 1 . 1 1 65 65 SER CA C 65 60.158 60.158 60.282 -0.124 19642 360 1 1 . 1 1 65 65 SER CB C 65 62.066 62.066 62.845 -0.779 19642 361 1 1 . 1 1 65 65 SER H H 65 8.492 8.492 8.704 -0.212 19642 362 1 1 . 1 1 66 66 SER N N 66 116.053 116.053 117.729 -1.676 19642 363 1 1 . 1 1 66 66 SER HA H 66 4.024 4.024 4.127 -0.103 19642 364 1 1 . 1 1 66 66 SER C C 66 174.528 174.528 174.748 -0.220 19642 365 1 1 . 1 1 66 66 SER CA C 66 60.749 60.749 59.786 0.963 19642 366 1 1 . 1 1 66 66 SER CB C 66 63.063 63.063 61.932 1.131 19642 367 1 1 . 1 1 66 66 SER H H 66 7.414 7.414 7.460 -0.046 19642 368 1 1 . 1 1 67 67 VAL N N 67 119.830 119.830 122.886 -3.056 19642 369 1 1 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.688 -0.368 19642 370 1 1 . 1 1 67 67 VAL CA C 67 69.038 69.038 67.792 1.246 19642 371 1 1 . 1 1 67 67 VAL CB C 67 29.198 29.198 28.724 0.474 19642 372 1 1 . 1 1 67 67 VAL H H 67 7.611 7.611 7.209 0.402 19642 373 1 1 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.272 -0.008 19642 374 1 1 . 1 1 68 68 PRO C C 68 180.457 180.457 178.787 1.670 19642 375 1 1 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.470 -0.398 19642 376 1 1 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.207 -0.469 19642 377 1 1 . 1 1 69 69 LEU N N 69 115.334 115.334 120.371 -5.037 19642 378 1 1 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.988 0.111 19642 379 1 1 . 1 1 69 69 LEU C C 69 179.450 179.450 178.873 0.577 19642 380 1 1 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.338 -0.896 19642 381 1 1 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.731 -0.609 19642 382 1 1 . 1 1 69 69 LEU H H 69 6.284 6.284 7.241 -0.957 19642 383 1 1 . 1 1 70 70 ALA N N 70 122.703 122.703 121.689 1.014 19642 384 1 1 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.242 -0.067 19642 385 1 1 . 1 1 70 70 ALA C C 70 180.611 180.611 180.193 0.418 19642 386 1 1 . 1 1 70 70 ALA CA C 70 54.895 54.895 55.043 -0.148 19642 387 1 1 . 1 1 70 70 ALA CB C 70 19.544 19.544 18.155 1.389 19642 388 1 1 . 1 1 70 70 ALA H H 70 8.342 8.342 8.057 0.285 19642 389 1 1 . 1 1 71 71 ILE N N 71 118.692 118.692 118.549 0.143 19642 390 1 1 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.721 0.544 19642 391 1 1 . 1 1 71 71 ILE C C 71 179.971 179.971 177.936 2.035 19642 392 1 1 . 1 1 71 71 ILE CA C 71 65.117 65.117 65.000 0.117 19642 393 1 1 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.644 0.956 19642 394 1 1 . 1 1 71 71 ILE H H 71 8.255 8.255 7.993 0.262 19642 395 1 1 . 1 1 72 72 GLY N N 72 106.417 106.417 105.571 0.846 19642 396 1 1 . 1 1 72 72 GLY C C 72 174.590 174.590 175.287 -0.697 19642 397 1 1 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.391 -0.500 19642 398 1 1 . 1 1 72 72 GLY H H 72 7.635 7.635 7.909 -0.274 19642 399 1 1 . 1 1 73 73 LEU N N 73 120.383 120.383 119.989 0.394 19642 400 1 1 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.663 -0.252 19642 401 1 1 . 1 1 73 73 LEU C C 73 176.338 176.338 178.204 -1.866 19642 402 1 1 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.567 0.382 19642 403 1 1 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.169 -1.576 19642 404 1 1 . 1 1 73 73 LEU H H 73 7.767 7.767 7.495 0.272 19642 405 1 1 . 1 1 74 74 THR N N 74 115.157 115.157 116.635 -1.478 19642 406 1 1 . 1 1 74 74 THR HA H 74 4.060 4.060 4.282 -0.222 19642 407 1 1 . 1 1 74 74 THR C C 74 175.656 175.656 176.111 -0.455 19642 408 1 1 . 1 1 74 74 THR CA C 74 66.177 66.177 66.400 -0.222 19642 409 1 1 . 1 1 74 74 THR CB C 74 69.821 69.821 68.763 1.058 19642 410 1 1 . 1 1 74 74 THR H H 74 7.731 7.731 7.667 0.064 19642 411 1 1 . 1 1 75 75 GLY N N 75 117.587 117.587 107.313 10.274 19642 412 1 1 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.224 0.401 19642 413 1 1 . 1 1 75 75 GLY H H 75 9.519 9.519 8.250 1.269 19642 414 1 1 . 1 1 76 76 GLN N N 76 120.027 120.027 120.125 -0.098 19642 415 1 1 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.338 -0.024 19642 416 1 1 . 1 1 76 76 GLN C C 76 175.015 175.015 174.851 0.164 19642 417 1 1 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.963 -0.144 19642 418 1 1 . 1 1 76 76 GLN CB C 76 28.220 28.220 29.999 -1.779 19642 419 1 1 . 1 1 76 76 GLN H H 76 8.319 8.319 7.767 0.552 19642 420 1 1 . 1 1 77 77 ARG N N 77 118.759 118.759 115.477 3.282 19642 421 1 1 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.593 -0.462 19642 422 1 1 . 1 1 77 77 ARG C C 77 176.209 176.209 175.297 0.912 19642 423 1 1 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.299 0.792 19642 424 1 1 . 1 1 77 77 ARG CB C 77 31.364 31.364 29.946 1.418 19642 425 1 1 . 1 1 77 77 ARG H H 77 8.544 8.544 8.477 0.067 19642 426 1 1 . 1 1 78 78 VAL N N 78 123.886 123.886 122.937 0.949 19642 427 1 1 . 1 1 78 78 VAL HA H 78 3.835 3.835 4.040 -0.205 19642 428 1 1 . 1 1 78 78 VAL C C 78 176.570 176.570 176.483 0.087 19642 429 1 1 . 1 1 78 78 VAL CA C 78 61.470 61.470 63.121 -1.651 19642 430 1 1 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.457 0.744 19642 431 1 1 . 1 1 78 78 VAL H H 78 8.015 8.015 7.649 0.366 19642 432 1 1 . 1 1 79 79 LEU N N 79 129.331 129.331 125.484 3.847 19642 433 1 1 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.855 -0.023 19642 434 1 1 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.661 0.112 19642 435 1 1 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.843 -0.302 19642 436 1 1 . 1 1 79 79 LEU H H 79 9.570 9.570 8.858 0.712 19642 437 1 1 . 1 1 80 80 GLY N N 80 100.301 100.301 104.742 -4.441 19642 438 1 1 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.592 0.637 19642 439 1 1 . 1 1 80 80 GLY H H 80 8.316 8.316 7.814 0.502 19642 440 1 1 . 1 1 81 81 VAL N N 81 122.763 122.763 122.124 0.639 19642 441 1 1 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.389 0.248 19642 442 1 1 . 1 1 81 81 VAL CA C 81 59.355 59.355 59.286 0.069 19642 443 1 1 . 1 1 81 81 VAL CB C 81 34.897 34.897 32.526 2.371 19642 444 1 1 . 1 1 81 81 VAL H H 81 7.632 7.632 7.772 -0.140 19642 445 1 1 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.567 -0.235 19642 446 1 1 . 1 1 82 82 PRO C C 82 175.005 175.005 175.456 -0.451 19642 447 1 1 . 1 1 82 82 PRO CA C 82 62.503 62.503 61.899 0.604 19642 448 1 1 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.926 -1.646 19642 449 1 1 . 1 1 83 83 ILE N N 83 126.022 126.022 117.760 8.262 19642 450 1 1 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.754 -0.128 19642 451 1 1 . 1 1 83 83 ILE C C 83 175.679 175.679 174.603 1.076 19642 452 1 1 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.290 2.679 19642 453 1 1 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.791 -0.878 19642 454 1 1 . 1 1 83 83 ILE H H 83 8.391 8.391 7.498 0.893 19642 455 1 1 . 1 1 84 84 ILE N N 84 125.284 125.284 127.148 -1.864 19642 456 1 1 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.222 0.211 19642 457 1 1 . 1 1 84 84 ILE C C 84 174.418 174.418 177.515 -3.097 19642 458 1 1 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.571 1.742 19642 459 1 1 . 1 1 84 84 ILE CB C 84 39.900 39.900 37.202 2.698 19642 460 1 1 . 1 1 84 84 ILE H H 84 7.842 7.842 7.922 -0.080 19642 461 1 1 . 1 1 85 85 VAL N N 85 128.143 128.143 121.784 6.359 19642 462 1 1 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.868 -0.251 19642 463 1 1 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.101 0.786 19642 464 1 1 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.644 2.425 19642 465 1 1 . 1 1 85 85 VAL H H 85 8.400 8.400 8.570 -0.170 19642 466 1 1 . 1 1 86 86 GLN N N 86 122.965 122.965 119.004 3.961 19642 467 1 1 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.249 0.654 19642 468 1 1 . 1 1 86 86 GLN C C 86 175.590 175.590 176.521 -0.931 19642 469 1 1 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.256 3.500 19642 470 1 1 . 1 1 86 86 GLN CB C 86 34.013 34.013 29.320 4.692 19642 471 1 1 . 1 1 86 86 GLN H H 86 9.242 9.242 8.004 1.238 19642 472 1 1 . 1 1 87 87 ALA N N 87 123.174 123.174 119.609 3.565 19642 473 1 1 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.143 0.213 19642 474 1 1 . 1 1 87 87 ALA C C 87 178.095 178.095 176.518 1.577 19642 475 1 1 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.979 -0.154 19642 476 1 1 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.309 0.225 19642 477 1 1 . 1 1 87 87 ALA H H 87 8.907 8.907 7.978 0.929 19642 478 1 1 . 1 1 88 88 SER N N 88 114.952 114.952 116.261 -1.309 19642 479 1 1 . 1 1 88 88 SER HA H 88 4.294 4.294 4.763 -0.469 19642 480 1 1 . 1 1 88 88 SER C C 88 175.470 175.470 173.891 1.579 19642 481 1 1 . 1 1 88 88 SER CA C 88 59.617 59.617 57.793 1.824 19642 482 1 1 . 1 1 88 88 SER CB C 88 63.409 63.409 63.156 0.253 19642 483 1 1 . 1 1 88 88 SER H H 88 8.343 8.343 8.740 -0.397 19642 484 1 1 . 1 1 89 89 GLN N N 89 121.151 121.151 120.381 0.770 19642 485 1 1 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.301 0.012 19642 486 1 1 . 1 1 89 89 GLN C C 89 175.838 175.838 175.609 0.229 19642 487 1 1 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.100 -0.814 19642 488 1 1 . 1 1 89 89 GLN CB C 89 29.333 29.333 29.706 -0.373 19642 489 1 1 . 1 1 89 89 GLN H H 89 8.348 8.348 8.238 0.110 19642 490 1 1 . 1 1 90 90 ALA N N 90 124.942 124.942 122.244 2.698 19642 491 1 1 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.509 -0.306 19642 492 1 1 . 1 1 90 90 ALA C C 90 178.381 178.381 177.428 0.953 19642 493 1 1 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.520 1.242 19642 494 1 1 . 1 1 90 90 ALA CB C 90 19.071 19.071 20.354 -1.283 19642 495 1 1 . 1 1 90 90 ALA H H 90 8.245 8.245 8.290 -0.045 19642 496 1 1 . 1 1 91 91 GLU N N 91 119.604 119.604 120.965 -1.361 19642 497 1 1 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.364 -0.211 19642 498 1 1 . 1 1 91 91 GLU C C 91 176.986 176.986 175.406 1.580 19642 499 1 1 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.643 -0.108 19642 500 1 1 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.197 1.832 19642 501 1 1 . 1 1 91 91 GLU H H 91 8.414 8.414 8.551 -0.137 19642 502 1 1 . 1 1 92 92 LYS N N 92 121.284 121.284 119.744 1.540 19642 503 1 1 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.614 -0.324 19642 504 1 1 . 1 1 92 92 LYS C C 92 176.699 176.699 174.871 1.828 19642 505 1 1 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.776 0.266 19642 506 1 1 . 1 1 92 92 LYS CB C 92 32.705 32.705 34.944 -2.239 19642 507 1 1 . 1 1 92 92 LYS H H 92 8.212 8.212 7.707 0.505 19642 508 1 1 . 1 1 93 93 ASN N N 93 119.221 119.221 121.637 -2.416 19642 509 1 1 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.843 -0.143 19642 510 1 1 . 1 1 93 93 ASN C C 93 174.424 174.424 174.298 0.126 19642 511 1 1 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.078 0.032 19642 512 1 1 . 1 1 93 93 ASN CB C 93 38.726 38.726 39.815 -1.089 19642 513 1 1 . 1 1 93 93 ASN H H 93 8.370 8.370 8.528 -0.158 19642 514 1 2 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.209 0.484 19642 515 1 2 . 1 1 2 2 HIS C C 2 175.244 175.244 174.554 0.690 19642 516 1 2 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.436 -0.587 19642 517 1 2 . 1 1 2 2 HIS CB C 2 30.165 30.165 29.081 1.084 19642 518 1 2 . 1 1 3 3 MET HA H 3 4.464 4.464 4.158 0.306 19642 519 1 2 . 1 1 3 3 MET C C 3 175.896 175.896 175.316 0.580 19642 520 1 2 . 1 1 3 3 MET CA C 3 55.188 55.188 55.580 -0.392 19642 521 1 2 . 1 1 3 3 MET CB C 3 32.736 32.736 32.943 -0.207 19642 522 1 2 . 1 1 4 4 ASN N N 4 120.610 120.610 119.077 1.533 19642 523 1 2 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.771 -0.019 19642 524 1 2 . 1 1 4 4 ASN C C 4 175.033 175.033 175.637 -0.604 19642 525 1 2 . 1 1 4 4 ASN CA C 4 52.728 52.728 52.823 -0.095 19642 526 1 2 . 1 1 4 4 ASN CB C 4 38.604 38.604 38.975 -0.371 19642 527 1 2 . 1 1 4 4 ASN H H 4 8.564 8.564 8.275 0.289 19642 528 1 2 . 1 1 5 5 LEU N N 5 122.314 122.314 122.722 -0.408 19642 529 1 2 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.473 0.137 19642 530 1 2 . 1 1 5 5 LEU C C 5 178.178 178.178 176.999 1.179 19642 531 1 2 . 1 1 5 5 LEU CA C 5 54.305 54.305 55.650 -1.345 19642 532 1 2 . 1 1 5 5 LEU CB C 5 43.343 43.343 42.613 0.730 19642 533 1 2 . 1 1 5 5 LEU H H 5 8.046 8.046 8.364 -0.318 19642 534 1 2 . 1 1 6 6 THR N N 6 115.483 115.483 118.394 -2.911 19642 535 1 2 . 1 1 6 6 THR HA H 6 4.626 4.626 4.664 -0.038 19642 536 1 2 . 1 1 6 6 THR CA C 6 60.039 60.039 58.804 1.235 19642 537 1 2 . 1 1 6 6 THR CB C 6 68.119 68.119 69.935 -1.816 19642 538 1 2 . 1 1 6 6 THR H H 6 8.948 8.948 8.219 0.729 19642 539 1 2 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.290 -0.147 19642 540 1 2 . 1 1 7 7 PRO CA C 7 65.573 65.573 64.926 0.647 19642 541 1 2 . 1 1 7 7 PRO CB C 7 31.640 31.640 32.101 -0.461 19642 542 1 2 . 1 1 8 8 GLU N N 8 116.691 116.691 119.043 -2.352 19642 543 1 2 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.047 0.064 19642 544 1 2 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.724 -0.152 19642 545 1 2 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.043 -0.154 19642 546 1 2 . 1 1 8 8 GLU H H 8 8.753 8.753 8.131 0.622 19642 547 1 2 . 1 1 9 9 GLU N N 9 121.235 121.235 118.545 2.690 19642 548 1 2 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.103 -0.062 19642 549 1 2 . 1 1 9 9 GLU C C 9 180.194 180.194 177.339 2.855 19642 550 1 2 . 1 1 9 9 GLU CA C 9 58.527 58.527 58.200 0.327 19642 551 1 2 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.663 0.903 19642 552 1 2 . 1 1 9 9 GLU H H 9 7.823 7.823 7.786 0.037 19642 553 1 2 . 1 1 10 10 ARG N N 10 120.373 120.373 117.234 3.139 19642 554 1 2 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.217 -0.330 19642 555 1 2 . 1 1 10 10 ARG C C 10 180.714 180.714 178.730 1.984 19642 556 1 2 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.474 1.311 19642 557 1 2 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.538 -0.667 19642 558 1 2 . 1 1 10 10 ARG H H 10 8.363 8.363 7.299 1.064 19642 559 1 2 . 1 1 11 11 ASP N N 11 123.103 123.103 121.144 1.959 19642 560 1 2 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.425 -0.111 19642 561 1 2 . 1 1 11 11 ASP C C 11 179.081 179.081 177.636 1.445 19642 562 1 2 . 1 1 11 11 ASP CA C 11 57.683 57.683 57.682 0.001 19642 563 1 2 . 1 1 11 11 ASP CB C 11 40.022 40.022 40.831 -0.809 19642 564 1 2 . 1 1 11 11 ASP H H 11 8.709 8.709 8.121 0.588 19642 565 1 2 . 1 1 12 12 ALA N N 12 119.926 119.926 120.087 -0.161 19642 566 1 2 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.278 -0.035 19642 567 1 2 . 1 1 12 12 ALA C C 12 177.593 177.593 177.923 -0.330 19642 568 1 2 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.193 0.615 19642 569 1 2 . 1 1 12 12 ALA CB C 12 18.341 18.341 18.530 -0.189 19642 570 1 2 . 1 1 12 12 ALA H H 12 7.615 7.615 7.896 -0.281 19642 571 1 2 . 1 1 13 13 ARG N N 13 113.504 113.504 117.425 -3.921 19642 572 1 2 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.141 0.286 19642 573 1 2 . 1 1 13 13 ARG C C 13 174.905 174.905 177.068 -2.163 19642 574 1 2 . 1 1 13 13 ARG CA C 13 55.588 55.588 58.511 -2.923 19642 575 1 2 . 1 1 13 13 ARG CB C 13 30.789 30.789 30.680 0.109 19642 576 1 2 . 1 1 13 13 ARG H H 13 7.204 7.204 7.540 -0.336 19642 577 1 2 . 1 1 14 14 THR N N 14 117.103 117.103 115.011 2.092 19642 578 1 2 . 1 1 14 14 THR HA H 14 5.589 5.589 4.642 0.947 19642 579 1 2 . 1 1 14 14 THR C C 14 174.610 174.610 174.273 0.337 19642 580 1 2 . 1 1 14 14 THR CA C 14 61.993 61.993 63.178 -1.185 19642 581 1 2 . 1 1 14 14 THR CB C 14 70.185 70.185 70.029 0.156 19642 582 1 2 . 1 1 14 14 THR H H 14 7.685 7.685 7.543 0.142 19642 583 1 2 . 1 1 15 15 VAL N N 15 117.127 117.127 120.276 -3.149 19642 584 1 2 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.693 0.387 19642 585 1 2 . 1 1 15 15 VAL C C 15 173.786 173.786 174.700 -0.914 19642 586 1 2 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.596 -1.011 19642 587 1 2 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.297 0.526 19642 588 1 2 . 1 1 15 15 VAL H H 15 9.154 9.154 8.544 0.610 19642 589 1 2 . 1 1 16 16 PHE N N 16 122.697 122.697 128.890 -6.193 19642 590 1 2 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.647 0.536 19642 591 1 2 . 1 1 16 16 PHE C C 16 174.520 174.520 175.390 -0.870 19642 592 1 2 . 1 1 16 16 PHE CA C 16 54.981 54.981 56.612 -1.631 19642 593 1 2 . 1 1 16 16 PHE CB C 16 42.266 42.266 39.541 2.724 19642 594 1 2 . 1 1 16 16 PHE H H 16 9.359 9.359 8.980 0.379 19642 595 1 2 . 1 1 17 17 CYS N N 17 122.356 122.356 127.521 -5.165 19642 596 1 2 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.530 1.037 19642 597 1 2 . 1 1 17 17 CYS C C 17 173.018 173.018 173.028 -0.010 19642 598 1 2 . 1 1 17 17 CYS CA C 17 55.708 55.708 57.855 -2.147 19642 599 1 2 . 1 1 17 17 CYS CB C 17 30.776 30.776 31.000 -0.224 19642 600 1 2 . 1 1 17 17 CYS H H 17 8.931 8.931 8.948 -0.017 19642 601 1 2 . 1 1 18 18 MET N N 18 117.884 117.884 122.857 -4.973 19642 602 1 2 . 1 1 18 18 MET HA H 18 4.846 4.846 4.487 0.359 19642 603 1 2 . 1 1 18 18 MET C C 18 173.706 173.706 174.857 -1.151 19642 604 1 2 . 1 1 18 18 MET CA C 18 53.623 53.623 54.773 -1.150 19642 605 1 2 . 1 1 18 18 MET CB C 18 31.772 31.772 32.464 -0.692 19642 606 1 2 . 1 1 18 18 MET H H 18 8.818 8.818 8.672 0.146 19642 607 1 2 . 1 1 19 19 GLN N N 19 115.022 115.022 117.703 -2.681 19642 608 1 2 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.413 -0.715 19642 609 1 2 . 1 1 19 19 GLN C C 19 173.403 173.403 174.737 -1.334 19642 610 1 2 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.787 2.222 19642 611 1 2 . 1 1 19 19 GLN CB C 19 27.922 27.922 31.453 -3.531 19642 612 1 2 . 1 1 19 19 GLN H H 19 8.463 8.463 7.841 0.622 19642 613 1 2 . 1 1 20 20 LEU N N 20 116.032 116.032 121.495 -5.463 19642 614 1 2 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.215 0.039 19642 615 1 2 . 1 1 20 20 LEU C C 20 177.827 177.827 177.331 0.496 19642 616 1 2 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.903 -2.308 19642 617 1 2 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.608 0.650 19642 618 1 2 . 1 1 20 20 LEU H H 20 7.685 7.685 7.232 0.453 19642 619 1 2 . 1 1 21 21 ALA N N 21 125.644 125.644 123.312 2.332 19642 620 1 2 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.221 -0.076 19642 621 1 2 . 1 1 21 21 ALA C C 21 178.868 178.868 178.181 0.687 19642 622 1 2 . 1 1 21 21 ALA CA C 21 51.661 51.661 52.300 -0.639 19642 623 1 2 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.629 -0.275 19642 624 1 2 . 1 1 21 21 ALA H H 21 9.473 9.473 8.413 1.060 19642 625 1 2 . 1 1 22 22 ALA N N 22 124.495 124.495 124.086 0.409 19642 626 1 2 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.027 0.082 19642 627 1 2 . 1 1 22 22 ALA C C 22 179.705 179.705 178.483 1.222 19642 628 1 2 . 1 1 22 22 ALA CA C 22 54.560 54.560 54.320 0.240 19642 629 1 2 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.910 -0.552 19642 630 1 2 . 1 1 22 22 ALA H H 22 8.583 8.583 8.711 -0.128 19642 631 1 2 . 1 1 23 23 ARG N N 23 111.716 111.716 117.259 -5.543 19642 632 1 2 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.427 -0.059 19642 633 1 2 . 1 1 23 23 ARG C C 23 176.243 176.243 175.327 0.916 19642 634 1 2 . 1 1 23 23 ARG CA C 23 55.136 55.136 54.941 0.195 19642 635 1 2 . 1 1 23 23 ARG CB C 23 29.161 29.161 29.309 -0.148 19642 636 1 2 . 1 1 23 23 ARG H H 23 7.905 7.905 8.097 -0.192 19642 637 1 2 . 1 1 24 24 ILE N N 24 121.734 121.734 121.035 0.699 19642 638 1 2 . 1 1 24 24 ILE HA H 24 3.892 3.892 3.858 0.034 19642 639 1 2 . 1 1 24 24 ILE C C 24 173.297 173.297 175.938 -2.641 19642 640 1 2 . 1 1 24 24 ILE CA C 24 61.336 61.336 61.270 0.066 19642 641 1 2 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.998 -0.247 19642 642 1 2 . 1 1 24 24 ILE H H 24 7.270 7.270 7.831 -0.561 19642 643 1 2 . 1 1 25 25 ARG N N 25 125.810 125.810 125.383 0.427 19642 644 1 2 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.744 0.211 19642 645 1 2 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.482 -1.065 19642 646 1 2 . 1 1 25 25 ARG CB C 25 30.964 30.964 31.798 -0.834 19642 647 1 2 . 1 1 25 25 ARG H H 25 8.994 8.994 8.283 0.711 19642 648 1 2 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.494 -0.434 19642 649 1 2 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.152 1.520 19642 650 1 2 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.427 -0.967 19642 651 1 2 . 1 1 27 27 ARG N N 27 114.118 114.118 118.977 -4.859 19642 652 1 2 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.095 0.145 19642 653 1 2 . 1 1 27 27 ARG C C 27 178.376 178.376 177.689 0.687 19642 654 1 2 . 1 1 27 27 ARG CA C 27 58.115 58.115 59.517 -1.403 19642 655 1 2 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.689 -0.148 19642 656 1 2 . 1 1 27 27 ARG H H 27 8.362 8.362 8.377 -0.015 19642 657 1 2 . 1 1 28 28 ASP N N 28 116.954 116.954 118.832 -1.878 19642 658 1 2 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.357 0.104 19642 659 1 2 . 1 1 28 28 ASP C C 28 180.328 180.328 178.495 1.833 19642 660 1 2 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.705 -0.177 19642 661 1 2 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.012 1.552 19642 662 1 2 . 1 1 28 28 ASP H H 28 7.688 7.688 8.457 -0.769 19642 663 1 2 . 1 1 29 29 LEU N N 29 117.931 117.931 118.042 -0.111 19642 664 1 2 . 1 1 29 29 LEU HA H 29 4.317 4.317 3.965 0.352 19642 665 1 2 . 1 1 29 29 LEU C C 29 178.541 178.541 178.608 -0.067 19642 666 1 2 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.976 -1.127 19642 667 1 2 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.844 -0.072 19642 668 1 2 . 1 1 29 29 LEU H H 29 7.173 7.173 7.463 -0.290 19642 669 1 2 . 1 1 30 30 GLU N N 30 121.321 121.321 117.925 3.396 19642 670 1 2 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.031 -0.243 19642 671 1 2 . 1 1 30 30 GLU C C 30 179.497 179.497 178.712 0.785 19642 672 1 2 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.061 1.238 19642 673 1 2 . 1 1 30 30 GLU CB C 30 29.672 29.672 28.788 0.884 19642 674 1 2 . 1 1 30 30 GLU H H 30 8.632 8.632 7.743 0.889 19642 675 1 2 . 1 1 31 31 GLU N N 31 118.162 118.162 119.644 -1.482 19642 676 1 2 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.136 -0.069 19642 677 1 2 . 1 1 31 31 GLU C C 31 179.635 179.635 179.097 0.538 19642 678 1 2 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.724 0.633 19642 679 1 2 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.100 0.396 19642 680 1 2 . 1 1 31 31 GLU H H 31 8.405 8.405 8.522 -0.117 19642 681 1 2 . 1 1 32 32 PHE N N 32 120.127 120.127 120.015 0.112 19642 682 1 2 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.179 0.174 19642 683 1 2 . 1 1 32 32 PHE C C 32 177.183 177.183 176.361 0.822 19642 684 1 2 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.165 0.776 19642 685 1 2 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.749 1.173 19642 686 1 2 . 1 1 32 32 PHE H H 32 7.767 7.767 7.657 0.110 19642 687 1 2 . 1 1 33 33 PHE N N 33 112.879 112.879 116.743 -3.864 19642 688 1 2 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.555 -0.304 19642 689 1 2 . 1 1 33 33 PHE C C 33 177.304 177.304 177.827 -0.523 19642 690 1 2 . 1 1 33 33 PHE CA C 33 61.179 61.179 58.751 2.428 19642 691 1 2 . 1 1 33 33 PHE CB C 33 38.580 38.580 39.087 -0.507 19642 692 1 2 . 1 1 33 33 PHE H H 33 8.489 8.489 7.470 1.019 19642 693 1 2 . 1 1 34 34 SER N N 34 115.870 115.870 115.671 0.199 19642 694 1 2 . 1 1 34 34 SER HA H 34 5.119 5.119 4.461 0.658 19642 695 1 2 . 1 1 34 34 SER C C 34 175.464 175.464 176.594 -1.130 19642 696 1 2 . 1 1 34 34 SER CA C 34 61.268 61.268 61.101 0.167 19642 697 1 2 . 1 1 34 34 SER CB C 34 62.915 62.915 63.010 -0.095 19642 698 1 2 . 1 1 34 34 SER H H 34 7.997 7.997 8.766 -0.769 19642 699 1 2 . 1 1 35 35 THR N N 35 110.934 110.934 115.024 -4.090 19642 700 1 2 . 1 1 35 35 THR HA H 35 4.147 4.147 4.333 -0.186 19642 701 1 2 . 1 1 35 35 THR C C 35 176.410 176.410 175.044 1.366 19642 702 1 2 . 1 1 35 35 THR CA C 35 63.756 63.756 63.806 -0.050 19642 703 1 2 . 1 1 35 35 THR CB C 35 68.802 68.802 68.525 0.277 19642 704 1 2 . 1 1 35 35 THR H H 35 7.188 7.188 7.851 -0.663 19642 705 1 2 . 1 1 36 36 VAL N N 36 111.644 111.644 115.458 -3.814 19642 706 1 2 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.664 -0.041 19642 707 1 2 . 1 1 36 36 VAL C C 36 176.046 176.046 174.506 1.540 19642 708 1 2 . 1 1 36 36 VAL CA C 36 60.472 60.472 60.604 -0.132 19642 709 1 2 . 1 1 36 36 VAL CB C 36 32.425 32.425 33.297 -0.872 19642 710 1 2 . 1 1 36 36 VAL H H 36 7.665 7.665 7.768 -0.103 19642 711 1 2 . 1 1 37 37 GLY N N 37 109.343 109.343 108.407 0.936 19642 712 1 2 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.682 -0.413 19642 713 1 2 . 1 1 37 37 GLY H H 37 7.640 7.640 7.279 0.361 19642 714 1 2 . 1 1 38 38 LYS N N 38 117.953 117.953 119.547 -1.594 19642 715 1 2 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.576 -0.037 19642 716 1 2 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.801 -0.077 19642 717 1 2 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.963 -3.088 19642 718 1 2 . 1 1 38 38 LYS H H 38 8.246 8.246 8.604 -0.358 19642 719 1 2 . 1 1 39 39 VAL N N 39 128.639 128.639 124.283 4.356 19642 720 1 2 . 1 1 39 39 VAL HA H 39 3.685 3.685 4.347 -0.662 19642 721 1 2 . 1 1 39 39 VAL CA C 39 62.816 62.816 61.545 1.271 19642 722 1 2 . 1 1 39 39 VAL CB C 39 32.992 32.992 32.476 0.516 19642 723 1 2 . 1 1 39 39 VAL H H 39 9.126 9.126 8.665 0.461 19642 724 1 2 . 1 1 40 40 ARG N N 40 129.292 129.292 128.082 1.210 19642 725 1 2 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.227 0.052 19642 726 1 2 . 1 1 40 40 ARG C C 40 175.643 175.643 175.652 -0.009 19642 727 1 2 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.273 -0.939 19642 728 1 2 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.317 0.343 19642 729 1 2 . 1 1 40 40 ARG H H 40 9.573 9.573 9.073 0.500 19642 730 1 2 . 1 1 41 41 ASP N N 41 116.255 116.255 113.799 2.456 19642 731 1 2 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.716 0.124 19642 732 1 2 . 1 1 41 41 ASP C C 41 173.674 173.674 173.539 0.135 19642 733 1 2 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.517 0.188 19642 734 1 2 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.424 0.479 19642 735 1 2 . 1 1 41 41 ASP H H 41 7.762 7.762 7.691 0.071 19642 736 1 2 . 1 1 42 42 VAL N N 42 122.442 122.442 120.278 2.164 19642 737 1 2 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.445 0.190 19642 738 1 2 . 1 1 42 42 VAL C C 42 174.714 174.714 173.935 0.779 19642 739 1 2 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.446 -0.172 19642 740 1 2 . 1 1 42 42 VAL CB C 42 34.832 34.832 34.699 0.133 19642 741 1 2 . 1 1 42 42 VAL H H 42 7.939 7.939 8.323 -0.384 19642 742 1 2 . 1 1 43 43 ARG N N 43 126.687 126.687 130.187 -3.500 19642 743 1 2 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.769 -0.004 19642 744 1 2 . 1 1 43 43 ARG C C 43 175.278 175.278 174.760 0.518 19642 745 1 2 . 1 1 43 43 ARG CA C 43 54.378 54.378 55.459 -1.081 19642 746 1 2 . 1 1 43 43 ARG CB C 43 32.434 32.434 32.289 0.145 19642 747 1 2 . 1 1 43 43 ARG H H 43 9.171 9.171 9.171 -0.000 19642 748 1 2 . 1 1 44 44 MET N N 44 123.092 123.092 124.023 -0.931 19642 749 1 2 . 1 1 44 44 MET HA H 44 4.906 4.906 4.777 0.129 19642 750 1 2 . 1 1 44 44 MET C C 44 176.360 176.360 176.579 -0.219 19642 751 1 2 . 1 1 44 44 MET CA C 44 53.152 53.152 55.342 -2.190 19642 752 1 2 . 1 1 44 44 MET CB C 44 32.940 32.940 34.346 -1.407 19642 753 1 2 . 1 1 44 44 MET H H 44 8.939 8.939 8.853 0.086 19642 754 1 2 . 1 1 45 45 ILE N N 45 124.146 124.146 125.319 -1.173 19642 755 1 2 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.247 0.213 19642 756 1 2 . 1 1 45 45 ILE C C 45 175.961 175.961 175.156 0.805 19642 757 1 2 . 1 1 45 45 ILE CA C 45 59.947 59.947 61.372 -1.425 19642 758 1 2 . 1 1 45 45 ILE CB C 45 38.193 38.193 35.891 2.302 19642 759 1 2 . 1 1 45 45 ILE H H 45 8.319 8.319 8.735 -0.416 19642 760 1 2 . 1 1 46 46 SER N N 46 121.541 121.541 120.089 1.452 19642 761 1 2 . 1 1 46 46 SER HA H 46 4.709 4.709 4.487 0.222 19642 762 1 2 . 1 1 46 46 SER C C 46 174.061 174.061 173.776 0.285 19642 763 1 2 . 1 1 46 46 SER CA C 46 57.381 57.381 58.136 -0.755 19642 764 1 2 . 1 1 46 46 SER CB C 46 64.273 64.273 63.877 0.396 19642 765 1 2 . 1 1 46 46 SER H H 46 8.653 8.653 7.880 0.773 19642 766 1 2 . 1 1 47 47 ASP N N 47 123.132 123.132 122.229 0.903 19642 767 1 2 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.706 -0.048 19642 768 1 2 . 1 1 47 47 ASP C C 47 177.203 177.203 175.430 1.773 19642 769 1 2 . 1 1 47 47 ASP CA C 47 53.662 53.662 55.100 -1.438 19642 770 1 2 . 1 1 47 47 ASP CB C 47 41.920 41.920 41.439 0.481 19642 771 1 2 . 1 1 47 47 ASP H H 47 8.598 8.598 8.323 0.275 19642 772 1 2 . 1 1 48 48 ARG N N 48 122.881 122.881 120.585 2.296 19642 773 1 2 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.538 -0.331 19642 774 1 2 . 1 1 48 48 ARG C C 48 177.090 177.090 174.995 2.095 19642 775 1 2 . 1 1 48 48 ARG CA C 48 57.206 57.206 55.250 1.956 19642 776 1 2 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.293 -1.518 19642 777 1 2 . 1 1 48 48 ARG H H 48 8.648 8.648 8.312 0.336 19642 778 1 2 . 1 1 49 49 ASN N N 49 117.245 117.245 117.823 -0.578 19642 779 1 2 . 1 1 49 49 ASN HA H 49 4.746 4.746 5.021 -0.275 19642 780 1 2 . 1 1 49 49 ASN C C 49 175.822 175.822 175.492 0.330 19642 781 1 2 . 1 1 49 49 ASN CA C 49 53.592 53.592 53.721 -0.129 19642 782 1 2 . 1 1 49 49 ASN CB C 49 38.910 38.910 39.303 -0.393 19642 783 1 2 . 1 1 49 49 ASN H H 49 8.502 8.502 8.827 -0.325 19642 784 1 2 . 1 1 50 50 SER N N 50 114.891 114.891 114.497 0.394 19642 785 1 2 . 1 1 50 50 SER HA H 50 4.429 4.429 4.565 -0.136 19642 786 1 2 . 1 1 50 50 SER C C 50 175.339 175.339 173.108 2.231 19642 787 1 2 . 1 1 50 50 SER CA C 50 58.396 58.396 58.935 -0.539 19642 788 1 2 . 1 1 50 50 SER CB C 50 63.681 63.681 64.321 -0.640 19642 789 1 2 . 1 1 50 50 SER H H 50 8.158 8.158 7.983 0.175 19642 790 1 2 . 1 1 51 51 ARG N N 51 120.957 120.957 120.905 0.052 19642 791 1 2 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.753 -0.464 19642 792 1 2 . 1 1 51 51 ARG C C 51 176.845 176.845 174.797 2.048 19642 793 1 2 . 1 1 51 51 ARG CA C 51 56.672 56.672 55.467 1.205 19642 794 1 2 . 1 1 51 51 ARG CB C 51 29.620 29.620 32.226 -2.606 19642 795 1 2 . 1 1 51 51 ARG H H 51 8.451 8.451 8.079 0.372 19642 796 1 2 . 1 1 52 52 ARG N N 52 119.405 119.405 121.045 -1.640 19642 797 1 2 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.532 -0.112 19642 798 1 2 . 1 1 52 52 ARG CA C 52 55.765 55.765 55.696 0.069 19642 799 1 2 . 1 1 52 52 ARG CB C 52 30.875 30.875 32.214 -1.339 19642 800 1 2 . 1 1 52 52 ARG H H 52 8.159 8.159 8.489 -0.330 19642 801 1 2 . 1 1 53 53 SER N N 53 116.328 116.328 115.896 0.432 19642 802 1 2 . 1 1 53 53 SER HA H 53 4.492 4.492 4.275 0.217 19642 803 1 2 . 1 1 53 53 SER CA C 53 58.142 58.142 59.940 -1.798 19642 804 1 2 . 1 1 53 53 SER CB C 53 63.447 63.447 63.427 0.020 19642 805 1 2 . 1 1 53 53 SER H H 53 8.370 8.370 8.689 -0.319 19642 806 1 2 . 1 1 54 54 LYS N N 54 122.099 122.099 114.646 7.453 19642 807 1 2 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.023 0.476 19642 808 1 2 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.458 -1.895 19642 809 1 2 . 1 1 54 54 LYS CB C 54 33.079 33.079 30.030 3.049 19642 810 1 2 . 1 1 54 54 LYS H H 54 8.374 8.374 8.228 0.146 19642 811 1 2 . 1 1 55 55 GLY N N 55 109.513 109.513 105.366 4.147 19642 812 1 2 . 1 1 55 55 GLY C C 55 172.962 172.962 172.693 0.269 19642 813 1 2 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.590 1.304 19642 814 1 2 . 1 1 55 55 GLY H H 55 8.592 8.592 7.819 0.773 19642 815 1 2 . 1 1 56 56 ILE N N 56 114.180 114.180 117.018 -2.838 19642 816 1 2 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.386 -0.374 19642 817 1 2 . 1 1 56 56 ILE C C 56 175.172 175.172 173.737 1.435 19642 818 1 2 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.062 -0.331 19642 819 1 2 . 1 1 56 56 ILE CB C 56 42.162 42.162 40.218 1.944 19642 820 1 2 . 1 1 56 56 ILE H H 56 7.618 7.618 7.714 -0.096 19642 821 1 2 . 1 1 57 57 ALA N N 57 121.556 121.556 127.445 -5.889 19642 822 1 2 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.203 -0.083 19642 823 1 2 . 1 1 57 57 ALA C C 57 175.094 175.094 174.915 0.179 19642 824 1 2 . 1 1 57 57 ALA CA C 57 50.699 50.699 50.971 -0.272 19642 825 1 2 . 1 1 57 57 ALA CB C 57 24.170 24.170 23.148 1.022 19642 826 1 2 . 1 1 57 57 ALA H H 57 8.308 8.308 8.661 -0.353 19642 827 1 2 . 1 1 58 58 TYR N N 58 118.387 118.387 118.510 -0.123 19642 828 1 2 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.487 -0.006 19642 829 1 2 . 1 1 58 58 TYR C C 58 175.537 175.537 174.623 0.914 19642 830 1 2 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.645 -0.131 19642 831 1 2 . 1 1 58 58 TYR CB C 58 40.607 40.607 42.548 -1.941 19642 832 1 2 . 1 1 58 58 TYR H H 58 8.971 8.971 8.957 0.014 19642 833 1 2 . 1 1 59 59 VAL N N 59 122.978 122.978 122.035 0.943 19642 834 1 2 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.785 -0.409 19642 835 1 2 . 1 1 59 59 VAL C C 59 172.631 172.631 174.059 -1.428 19642 836 1 2 . 1 1 59 59 VAL CA C 59 61.217 61.217 60.303 0.913 19642 837 1 2 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.509 -0.934 19642 838 1 2 . 1 1 59 59 VAL H H 59 8.828 8.828 8.747 0.081 19642 839 1 2 . 1 1 60 60 GLU N N 60 128.557 128.557 129.648 -1.091 19642 840 1 2 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.378 0.473 19642 841 1 2 . 1 1 60 60 GLU C C 60 176.210 176.210 175.140 1.070 19642 842 1 2 . 1 1 60 60 GLU CA C 60 53.842 53.842 55.500 -1.658 19642 843 1 2 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.844 2.259 19642 844 1 2 . 1 1 60 60 GLU H H 60 8.774 8.774 8.366 0.408 19642 845 1 2 . 1 1 61 61 PHE N N 61 126.659 126.659 125.072 1.587 19642 846 1 2 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.479 0.437 19642 847 1 2 . 1 1 61 61 PHE C C 61 176.011 176.011 176.085 -0.074 19642 848 1 2 . 1 1 61 61 PHE CA C 61 58.586 58.586 60.149 -1.563 19642 849 1 2 . 1 1 61 61 PHE CB C 61 41.038 41.038 39.916 1.122 19642 850 1 2 . 1 1 61 61 PHE H H 61 9.340 9.340 8.559 0.781 19642 851 1 2 . 1 1 62 62 VAL N N 62 118.280 118.280 118.613 -0.333 19642 852 1 2 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.974 -0.231 19642 853 1 2 . 1 1 62 62 VAL C C 62 176.097 176.097 175.633 0.464 19642 854 1 2 . 1 1 62 62 VAL CA C 62 65.785 65.785 64.328 1.457 19642 855 1 2 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.296 0.515 19642 856 1 2 . 1 1 62 62 VAL H H 62 8.184 8.184 8.390 -0.206 19642 857 1 2 . 1 1 63 63 ASP N N 63 118.269 118.269 118.020 0.249 19642 858 1 2 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.762 0.430 19642 859 1 2 . 1 1 63 63 ASP C C 63 176.648 176.648 176.543 0.105 19642 860 1 2 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.627 0.012 19642 861 1 2 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.227 1.342 19642 862 1 2 . 1 1 63 63 ASP H H 63 8.708 8.708 7.856 0.852 19642 863 1 2 . 1 1 64 64 VAL N N 64 121.961 121.961 125.050 -3.089 19642 864 1 2 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.679 0.132 19642 865 1 2 . 1 1 64 64 VAL C C 64 178.439 178.439 176.800 1.639 19642 866 1 2 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.919 -0.100 19642 867 1 2 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.091 -0.041 19642 868 1 2 . 1 1 64 64 VAL H H 64 8.609 8.609 8.755 -0.146 19642 869 1 2 . 1 1 65 65 SER N N 65 115.305 115.305 115.545 -0.240 19642 870 1 2 . 1 1 65 65 SER HA H 65 4.143 4.143 4.213 -0.070 19642 871 1 2 . 1 1 65 65 SER C C 65 176.285 176.285 175.602 0.683 19642 872 1 2 . 1 1 65 65 SER CA C 65 60.158 60.158 61.261 -1.103 19642 873 1 2 . 1 1 65 65 SER CB C 65 62.066 62.066 62.969 -0.903 19642 874 1 2 . 1 1 65 65 SER H H 65 8.492 8.492 8.864 -0.372 19642 875 1 2 . 1 1 66 66 SER N N 66 116.053 116.053 116.143 -0.090 19642 876 1 2 . 1 1 66 66 SER HA H 66 4.024 4.024 4.086 -0.062 19642 877 1 2 . 1 1 66 66 SER C C 66 174.528 174.528 174.390 0.138 19642 878 1 2 . 1 1 66 66 SER CA C 66 60.749 60.749 58.977 1.772 19642 879 1 2 . 1 1 66 66 SER CB C 66 63.063 63.063 62.048 1.015 19642 880 1 2 . 1 1 66 66 SER H H 66 7.414 7.414 7.313 0.101 19642 881 1 2 . 1 1 67 67 VAL N N 67 119.830 119.830 122.608 -2.778 19642 882 1 2 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.623 -0.303 19642 883 1 2 . 1 1 67 67 VAL CA C 67 69.038 69.038 67.413 1.625 19642 884 1 2 . 1 1 67 67 VAL CB C 67 29.198 29.198 28.687 0.511 19642 885 1 2 . 1 1 67 67 VAL H H 67 7.611 7.611 7.240 0.371 19642 886 1 2 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.222 0.043 19642 887 1 2 . 1 1 68 68 PRO C C 68 180.457 180.457 178.486 1.971 19642 888 1 2 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.411 -0.339 19642 889 1 2 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.178 -0.440 19642 890 1 2 . 1 1 69 69 LEU N N 69 115.334 115.334 119.158 -3.824 19642 891 1 2 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.955 0.144 19642 892 1 2 . 1 1 69 69 LEU C C 69 179.450 179.450 178.736 0.714 19642 893 1 2 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.210 -0.768 19642 894 1 2 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.612 -0.490 19642 895 1 2 . 1 1 69 69 LEU H H 69 6.284 6.284 7.612 -1.328 19642 896 1 2 . 1 1 70 70 ALA N N 70 122.703 122.703 121.261 1.442 19642 897 1 2 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.149 0.026 19642 898 1 2 . 1 1 70 70 ALA C C 70 180.611 180.611 179.903 0.708 19642 899 1 2 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.994 -0.099 19642 900 1 2 . 1 1 70 70 ALA CB C 70 19.544 19.544 18.058 1.486 19642 901 1 2 . 1 1 70 70 ALA H H 70 8.342 8.342 7.767 0.575 19642 902 1 2 . 1 1 71 71 ILE N N 71 118.692 118.692 118.378 0.314 19642 903 1 2 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.781 0.484 19642 904 1 2 . 1 1 71 71 ILE C C 71 179.971 179.971 177.988 1.983 19642 905 1 2 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.569 0.548 19642 906 1 2 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.833 0.767 19642 907 1 2 . 1 1 71 71 ILE H H 71 8.255 8.255 7.501 0.754 19642 908 1 2 . 1 1 72 72 GLY N N 72 106.417 106.417 106.925 -0.508 19642 909 1 2 . 1 1 72 72 GLY C C 72 174.590 174.590 174.942 -0.352 19642 910 1 2 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.829 -0.938 19642 911 1 2 . 1 1 72 72 GLY H H 72 7.635 7.635 7.896 -0.261 19642 912 1 2 . 1 1 73 73 LEU N N 73 120.383 120.383 119.270 1.113 19642 913 1 2 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.764 -0.353 19642 914 1 2 . 1 1 73 73 LEU C C 73 176.338 176.338 178.251 -1.913 19642 915 1 2 . 1 1 73 73 LEU CA C 73 54.949 54.949 53.806 1.143 19642 916 1 2 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.369 -1.776 19642 917 1 2 . 1 1 73 73 LEU H H 73 7.767 7.767 7.531 0.236 19642 918 1 2 . 1 1 74 74 THR N N 74 115.157 115.157 117.776 -2.619 19642 919 1 2 . 1 1 74 74 THR HA H 74 4.060 4.060 4.186 -0.126 19642 920 1 2 . 1 1 74 74 THR C C 74 175.656 175.656 176.156 -0.500 19642 921 1 2 . 1 1 74 74 THR CA C 74 66.177 66.177 67.085 -0.908 19642 922 1 2 . 1 1 74 74 THR CB C 74 69.821 69.821 68.661 1.160 19642 923 1 2 . 1 1 74 74 THR H H 74 7.731 7.731 7.833 -0.102 19642 924 1 2 . 1 1 75 75 GLY N N 75 117.587 117.587 106.406 11.181 19642 925 1 2 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.611 0.014 19642 926 1 2 . 1 1 75 75 GLY H H 75 9.519 9.519 8.515 1.004 19642 927 1 2 . 1 1 76 76 GLN N N 76 120.027 120.027 120.078 -0.051 19642 928 1 2 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.586 -0.272 19642 929 1 2 . 1 1 76 76 GLN C C 76 175.015 175.015 174.722 0.293 19642 930 1 2 . 1 1 76 76 GLN CA C 76 55.819 55.819 54.986 0.833 19642 931 1 2 . 1 1 76 76 GLN CB C 76 28.220 28.220 30.681 -2.461 19642 932 1 2 . 1 1 76 76 GLN H H 76 8.319 8.319 7.888 0.431 19642 933 1 2 . 1 1 77 77 ARG N N 77 118.759 118.759 116.669 2.090 19642 934 1 2 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.592 -0.461 19642 935 1 2 . 1 1 77 77 ARG C C 77 176.209 176.209 175.770 0.439 19642 936 1 2 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.067 1.024 19642 937 1 2 . 1 1 77 77 ARG CB C 77 31.364 31.364 30.875 0.489 19642 938 1 2 . 1 1 77 77 ARG H H 77 8.544 8.544 8.474 0.070 19642 939 1 2 . 1 1 78 78 VAL N N 78 123.886 123.886 122.528 1.358 19642 940 1 2 . 1 1 78 78 VAL HA H 78 3.835 3.835 4.113 -0.278 19642 941 1 2 . 1 1 78 78 VAL C C 78 176.570 176.570 175.698 0.872 19642 942 1 2 . 1 1 78 78 VAL CA C 78 61.470 61.470 62.665 -1.195 19642 943 1 2 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.425 0.777 19642 944 1 2 . 1 1 78 78 VAL H H 78 8.015 8.015 7.594 0.421 19642 945 1 2 . 1 1 79 79 LEU N N 79 129.331 129.331 127.457 1.874 19642 946 1 2 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.938 -0.106 19642 947 1 2 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.143 0.630 19642 948 1 2 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.360 0.181 19642 949 1 2 . 1 1 79 79 LEU H H 79 9.570 9.570 8.987 0.583 19642 950 1 2 . 1 1 80 80 GLY N N 80 100.301 100.301 103.749 -3.448 19642 951 1 2 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.780 0.449 19642 952 1 2 . 1 1 80 80 GLY H H 80 8.316 8.316 7.663 0.653 19642 953 1 2 . 1 1 81 81 VAL N N 81 122.763 122.763 121.588 1.175 19642 954 1 2 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.423 0.214 19642 955 1 2 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.507 0.848 19642 956 1 2 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.317 3.580 19642 957 1 2 . 1 1 81 81 VAL H H 81 7.632 7.632 7.633 -0.001 19642 958 1 2 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.925 -0.593 19642 959 1 2 . 1 1 82 82 PRO C C 82 175.005 175.005 175.775 -0.770 19642 960 1 2 . 1 1 82 82 PRO CA C 82 62.503 62.503 61.488 1.015 19642 961 1 2 . 1 1 82 82 PRO CB C 82 31.280 31.280 33.096 -1.816 19642 962 1 2 . 1 1 83 83 ILE N N 83 126.022 126.022 116.866 9.156 19642 963 1 2 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.413 0.213 19642 964 1 2 . 1 1 83 83 ILE C C 83 175.679 175.679 173.915 1.764 19642 965 1 2 . 1 1 83 83 ILE CA C 83 60.969 60.969 59.262 1.707 19642 966 1 2 . 1 1 83 83 ILE CB C 83 40.913 40.913 42.113 -1.200 19642 967 1 2 . 1 1 83 83 ILE H H 83 8.391 8.391 7.634 0.757 19642 968 1 2 . 1 1 84 84 ILE N N 84 125.284 125.284 123.520 1.764 19642 969 1 2 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.433 -0.000 19642 970 1 2 . 1 1 84 84 ILE C C 84 174.418 174.418 176.664 -2.246 19642 971 1 2 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.639 1.674 19642 972 1 2 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.380 1.520 19642 973 1 2 . 1 1 84 84 ILE H H 84 7.842 7.842 8.752 -0.910 19642 974 1 2 . 1 1 85 85 VAL N N 85 128.143 128.143 127.577 0.566 19642 975 1 2 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.688 -0.071 19642 976 1 2 . 1 1 85 85 VAL CA C 85 64.887 64.887 65.321 -0.434 19642 977 1 2 . 1 1 85 85 VAL CB C 85 34.069 34.069 32.115 1.954 19642 978 1 2 . 1 1 85 85 VAL H H 85 8.400 8.400 8.890 -0.490 19642 979 1 2 . 1 1 86 86 GLN N N 86 122.965 122.965 117.960 5.005 19642 980 1 2 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.208 0.695 19642 981 1 2 . 1 1 86 86 GLN C C 86 175.590 175.590 176.240 -0.650 19642 982 1 2 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.060 3.696 19642 983 1 2 . 1 1 86 86 GLN CB C 86 34.013 34.013 29.036 4.977 19642 984 1 2 . 1 1 86 86 GLN H H 86 9.242 9.242 7.713 1.529 19642 985 1 2 . 1 1 87 87 ALA N N 87 123.174 123.174 120.087 3.087 19642 986 1 2 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.182 0.174 19642 987 1 2 . 1 1 87 87 ALA C C 87 178.095 178.095 176.613 1.482 19642 988 1 2 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.474 0.351 19642 989 1 2 . 1 1 87 87 ALA CB C 87 18.534 18.534 17.742 0.792 19642 990 1 2 . 1 1 87 87 ALA H H 87 8.907 8.907 7.640 1.267 19642 991 1 2 . 1 1 88 88 SER N N 88 114.952 114.952 113.460 1.492 19642 992 1 2 . 1 1 88 88 SER HA H 88 4.294 4.294 4.267 0.027 19642 993 1 2 . 1 1 88 88 SER C C 88 175.470 175.470 174.937 0.533 19642 994 1 2 . 1 1 88 88 SER CA C 88 59.617 59.617 59.371 0.246 19642 995 1 2 . 1 1 88 88 SER CB C 88 63.409 63.409 62.647 0.762 19642 996 1 2 . 1 1 88 88 SER H H 88 8.343 8.343 8.690 -0.347 19642 997 1 2 . 1 1 89 89 GLN N N 89 121.151 121.151 119.579 1.572 19642 998 1 2 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.191 0.122 19642 999 1 2 . 1 1 89 89 GLN C C 89 175.838 175.838 175.963 -0.125 19642 1000 1 2 . 1 1 89 89 GLN CA C 89 55.286 55.286 57.031 -1.745 19642 1001 1 2 . 1 1 89 89 GLN CB C 89 29.333 29.333 29.354 -0.021 19642 1002 1 2 . 1 1 89 89 GLN H H 89 8.348 8.348 8.021 0.327 19642 1003 1 2 . 1 1 90 90 ALA N N 90 124.942 124.942 125.099 -0.157 19642 1004 1 2 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.227 -0.024 19642 1005 1 2 . 1 1 90 90 ALA C C 90 178.381 178.381 177.087 1.294 19642 1006 1 2 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.971 0.791 19642 1007 1 2 . 1 1 90 90 ALA CB C 90 19.071 19.071 17.017 2.054 19642 1008 1 2 . 1 1 90 90 ALA H H 90 8.245 8.245 8.492 -0.247 19642 1009 1 2 . 1 1 91 91 GLU N N 91 119.604 119.604 117.420 2.184 19642 1010 1 2 . 1 1 91 91 GLU HA H 91 4.153 4.153 3.965 0.188 19642 1011 1 2 . 1 1 91 91 GLU C C 91 176.986 176.986 175.519 1.467 19642 1012 1 2 . 1 1 91 91 GLU CA C 91 56.535 56.535 57.898 -1.363 19642 1013 1 2 . 1 1 91 91 GLU CB C 91 30.029 30.029 29.463 0.566 19642 1014 1 2 . 1 1 91 91 GLU H H 91 8.414 8.414 8.313 0.101 19642 1015 1 2 . 1 1 92 92 LYS N N 92 121.284 121.284 119.488 1.796 19642 1016 1 2 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.506 -0.216 19642 1017 1 2 . 1 1 92 92 LYS C C 92 176.699 176.699 175.917 0.782 19642 1018 1 2 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.547 0.495 19642 1019 1 2 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.128 -0.423 19642 1020 1 2 . 1 1 92 92 LYS H H 92 8.212 8.212 7.703 0.509 19642 1021 1 2 . 1 1 93 93 ASN N N 93 119.221 119.221 119.443 -0.222 19642 1022 1 2 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.399 0.301 19642 1023 1 2 . 1 1 93 93 ASN C C 93 174.424 174.424 174.675 -0.251 19642 1024 1 2 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.502 -0.392 19642 1025 1 2 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.625 0.101 19642 1026 1 2 . 1 1 93 93 ASN H H 93 8.370 8.370 8.358 0.012 19642 1027 1 3 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.926 -0.233 19642 1028 1 3 . 1 1 2 2 HIS C C 2 175.244 175.244 175.850 -0.606 19642 1029 1 3 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.363 -0.514 19642 1030 1 3 . 1 1 2 2 HIS CB C 2 30.165 30.165 31.262 -1.097 19642 1031 1 3 . 1 1 3 3 MET HA H 3 4.464 4.464 4.599 -0.135 19642 1032 1 3 . 1 1 3 3 MET C C 3 175.896 175.896 175.689 0.207 19642 1033 1 3 . 1 1 3 3 MET CA C 3 55.188 55.188 55.654 -0.466 19642 1034 1 3 . 1 1 3 3 MET CB C 3 32.736 32.736 33.906 -1.170 19642 1035 1 3 . 1 1 4 4 ASN N N 4 120.610 120.610 119.545 1.065 19642 1036 1 3 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.858 -0.106 19642 1037 1 3 . 1 1 4 4 ASN C C 4 175.033 175.033 173.603 1.430 19642 1038 1 3 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.135 -0.407 19642 1039 1 3 . 1 1 4 4 ASN CB C 4 38.604 38.604 39.078 -0.474 19642 1040 1 3 . 1 1 4 4 ASN H H 4 8.564 8.564 8.022 0.542 19642 1041 1 3 . 1 1 5 5 LEU N N 5 122.314 122.314 121.167 1.147 19642 1042 1 3 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.914 -0.304 19642 1043 1 3 . 1 1 5 5 LEU C C 5 178.178 178.178 176.830 1.348 19642 1044 1 3 . 1 1 5 5 LEU CA C 5 54.305 54.305 53.813 0.492 19642 1045 1 3 . 1 1 5 5 LEU CB C 5 43.343 43.343 45.559 -2.216 19642 1046 1 3 . 1 1 5 5 LEU H H 5 8.046 8.046 8.306 -0.260 19642 1047 1 3 . 1 1 6 6 THR N N 6 115.483 115.483 118.997 -3.514 19642 1048 1 3 . 1 1 6 6 THR HA H 6 4.626 4.626 4.577 0.049 19642 1049 1 3 . 1 1 6 6 THR CA C 6 60.039 60.039 60.311 -0.272 19642 1050 1 3 . 1 1 6 6 THR CB C 6 68.119 68.119 70.034 -1.915 19642 1051 1 3 . 1 1 6 6 THR H H 6 8.948 8.948 8.715 0.233 19642 1052 1 3 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.444 -0.301 19642 1053 1 3 . 1 1 7 7 PRO CA C 7 65.573 65.573 64.588 0.985 19642 1054 1 3 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.759 -0.119 19642 1055 1 3 . 1 1 8 8 GLU N N 8 116.691 116.691 118.292 -1.601 19642 1056 1 3 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.229 -0.118 19642 1057 1 3 . 1 1 8 8 GLU CA C 8 59.572 59.572 58.390 1.182 19642 1058 1 3 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.598 -0.709 19642 1059 1 3 . 1 1 8 8 GLU H H 8 8.753 8.753 7.952 0.801 19642 1060 1 3 . 1 1 9 9 GLU N N 9 121.235 121.235 120.569 0.666 19642 1061 1 3 . 1 1 9 9 GLU HA H 9 4.041 4.041 3.887 0.154 19642 1062 1 3 . 1 1 9 9 GLU C C 9 180.194 180.194 178.340 1.854 19642 1063 1 3 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.870 -1.343 19642 1064 1 3 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.540 1.026 19642 1065 1 3 . 1 1 9 9 GLU H H 9 7.823 7.823 7.820 0.003 19642 1066 1 3 . 1 1 10 10 ARG N N 10 120.373 120.373 116.696 3.677 19642 1067 1 3 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.114 -0.227 19642 1068 1 3 . 1 1 10 10 ARG C C 10 180.714 180.714 177.596 3.118 19642 1069 1 3 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.466 1.319 19642 1070 1 3 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.349 -0.478 19642 1071 1 3 . 1 1 10 10 ARG H H 10 8.363 8.363 7.712 0.651 19642 1072 1 3 . 1 1 11 11 ASP N N 11 123.103 123.103 118.087 5.016 19642 1073 1 3 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.732 -0.418 19642 1074 1 3 . 1 1 11 11 ASP C C 11 179.081 179.081 176.809 2.272 19642 1075 1 3 . 1 1 11 11 ASP CA C 11 57.683 57.683 55.637 2.046 19642 1076 1 3 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.536 -1.514 19642 1077 1 3 . 1 1 11 11 ASP H H 11 8.709 8.709 7.808 0.901 19642 1078 1 3 . 1 1 12 12 ALA N N 12 119.926 119.926 122.194 -2.268 19642 1079 1 3 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.355 -0.112 19642 1080 1 3 . 1 1 12 12 ALA C C 12 177.593 177.593 177.878 -0.285 19642 1081 1 3 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.517 0.291 19642 1082 1 3 . 1 1 12 12 ALA CB C 12 18.341 18.341 19.673 -1.332 19642 1083 1 3 . 1 1 12 12 ALA H H 12 7.615 7.615 7.860 -0.245 19642 1084 1 3 . 1 1 13 13 ARG N N 13 113.504 113.504 118.032 -4.528 19642 1085 1 3 . 1 1 13 13 ARG HA H 13 4.427 4.427 3.972 0.455 19642 1086 1 3 . 1 1 13 13 ARG C C 13 174.905 174.905 174.192 0.713 19642 1087 1 3 . 1 1 13 13 ARG CA C 13 55.588 55.588 56.598 -1.010 19642 1088 1 3 . 1 1 13 13 ARG CB C 13 30.789 30.789 27.713 3.076 19642 1089 1 3 . 1 1 13 13 ARG H H 13 7.204 7.204 7.904 -0.700 19642 1090 1 3 . 1 1 14 14 THR N N 14 117.103 117.103 110.920 6.183 19642 1091 1 3 . 1 1 14 14 THR HA H 14 5.589 5.589 5.562 0.027 19642 1092 1 3 . 1 1 14 14 THR C C 14 174.610 174.610 173.684 0.926 19642 1093 1 3 . 1 1 14 14 THR CA C 14 61.993 61.993 59.829 2.164 19642 1094 1 3 . 1 1 14 14 THR CB C 14 70.185 70.185 73.014 -2.830 19642 1095 1 3 . 1 1 14 14 THR H H 14 7.685 7.685 7.792 -0.107 19642 1096 1 3 . 1 1 15 15 VAL N N 15 117.127 117.127 118.748 -1.621 19642 1097 1 3 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.537 0.543 19642 1098 1 3 . 1 1 15 15 VAL C C 15 173.786 173.786 174.270 -0.484 19642 1099 1 3 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.506 -1.921 19642 1100 1 3 . 1 1 15 15 VAL CB C 15 33.823 33.823 34.761 -0.938 19642 1101 1 3 . 1 1 15 15 VAL H H 15 9.154 9.154 9.065 0.089 19642 1102 1 3 . 1 1 16 16 PHE N N 16 122.697 122.697 128.264 -5.567 19642 1103 1 3 . 1 1 16 16 PHE HA H 16 5.183 5.183 5.015 0.168 19642 1104 1 3 . 1 1 16 16 PHE C C 16 174.520 174.520 175.748 -1.228 19642 1105 1 3 . 1 1 16 16 PHE CA C 16 54.981 54.981 58.373 -3.392 19642 1106 1 3 . 1 1 16 16 PHE CB C 16 42.266 42.266 39.882 2.385 19642 1107 1 3 . 1 1 16 16 PHE H H 16 9.359 9.359 8.727 0.632 19642 1108 1 3 . 1 1 17 17 CYS N N 17 122.356 122.356 127.864 -5.508 19642 1109 1 3 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.795 0.772 19642 1110 1 3 . 1 1 17 17 CYS C C 17 173.018 173.018 173.353 -0.335 19642 1111 1 3 . 1 1 17 17 CYS CA C 17 55.708 55.708 57.486 -1.778 19642 1112 1 3 . 1 1 17 17 CYS CB C 17 30.776 30.776 29.285 1.491 19642 1113 1 3 . 1 1 17 17 CYS H H 17 8.931 8.931 7.681 1.250 19642 1114 1 3 . 1 1 18 18 MET N N 18 117.884 117.884 122.948 -5.064 19642 1115 1 3 . 1 1 18 18 MET HA H 18 4.846 4.846 4.785 0.061 19642 1116 1 3 . 1 1 18 18 MET C C 18 173.706 173.706 176.309 -2.603 19642 1117 1 3 . 1 1 18 18 MET CA C 18 53.623 53.623 55.969 -2.346 19642 1118 1 3 . 1 1 18 18 MET CB C 18 31.772 31.772 34.972 -3.200 19642 1119 1 3 . 1 1 18 18 MET H H 18 8.818 8.818 9.078 -0.260 19642 1120 1 3 . 1 1 19 19 GLN N N 19 115.022 115.022 116.302 -1.280 19642 1121 1 3 . 1 1 19 19 GLN HA H 19 3.698 3.698 3.948 -0.250 19642 1122 1 3 . 1 1 19 19 GLN C C 19 173.403 173.403 173.998 -0.595 19642 1123 1 3 . 1 1 19 19 GLN CA C 19 57.009 57.009 56.942 0.067 19642 1124 1 3 . 1 1 19 19 GLN CB C 19 27.922 27.922 27.484 0.438 19642 1125 1 3 . 1 1 19 19 GLN H H 19 8.463 8.463 8.366 0.097 19642 1126 1 3 . 1 1 20 20 LEU N N 20 116.032 116.032 118.260 -2.228 19642 1127 1 3 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.253 0.001 19642 1128 1 3 . 1 1 20 20 LEU C C 20 177.827 177.827 177.817 0.010 19642 1129 1 3 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.748 -2.153 19642 1130 1 3 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.271 0.987 19642 1131 1 3 . 1 1 20 20 LEU H H 20 7.685 7.685 7.408 0.277 19642 1132 1 3 . 1 1 21 21 ALA N N 21 125.644 125.644 121.792 3.852 19642 1133 1 3 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.235 -0.090 19642 1134 1 3 . 1 1 21 21 ALA C C 21 178.868 178.868 178.499 0.369 19642 1135 1 3 . 1 1 21 21 ALA CA C 21 51.661 51.661 52.538 -0.877 19642 1136 1 3 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.657 -0.303 19642 1137 1 3 . 1 1 21 21 ALA H H 21 9.473 9.473 8.287 1.186 19642 1138 1 3 . 1 1 22 22 ALA N N 22 124.495 124.495 124.739 -0.244 19642 1139 1 3 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.108 0.001 19642 1140 1 3 . 1 1 22 22 ALA C C 22 179.705 179.705 178.225 1.480 19642 1141 1 3 . 1 1 22 22 ALA CA C 22 54.560 54.560 54.146 0.414 19642 1142 1 3 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.429 -0.071 19642 1143 1 3 . 1 1 22 22 ALA H H 22 8.583 8.583 8.590 -0.007 19642 1144 1 3 . 1 1 23 23 ARG N N 23 111.716 111.716 116.602 -4.886 19642 1145 1 3 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.564 -0.196 19642 1146 1 3 . 1 1 23 23 ARG C C 23 176.243 176.243 175.048 1.195 19642 1147 1 3 . 1 1 23 23 ARG CA C 23 55.136 55.136 54.730 0.406 19642 1148 1 3 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.343 -1.182 19642 1149 1 3 . 1 1 23 23 ARG H H 23 7.905 7.905 7.820 0.085 19642 1150 1 3 . 1 1 24 24 ILE N N 24 121.734 121.734 121.465 0.269 19642 1151 1 3 . 1 1 24 24 ILE HA H 24 3.892 3.892 3.877 0.015 19642 1152 1 3 . 1 1 24 24 ILE C C 24 173.297 173.297 176.248 -2.951 19642 1153 1 3 . 1 1 24 24 ILE CA C 24 61.336 61.336 62.421 -1.085 19642 1154 1 3 . 1 1 24 24 ILE CB C 24 38.751 38.751 39.013 -0.262 19642 1155 1 3 . 1 1 24 24 ILE H H 24 7.270 7.270 7.476 -0.206 19642 1156 1 3 . 1 1 25 25 ARG N N 25 125.810 125.810 129.241 -3.431 19642 1157 1 3 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.363 0.592 19642 1158 1 3 . 1 1 25 25 ARG CA C 25 52.417 52.417 55.206 -2.789 19642 1159 1 3 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.313 0.651 19642 1160 1 3 . 1 1 25 25 ARG H H 25 8.994 8.994 8.435 0.559 19642 1161 1 3 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.533 -0.473 19642 1162 1 3 . 1 1 26 26 PRO CA C 26 66.672 66.672 64.287 2.385 19642 1163 1 3 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.005 -0.545 19642 1164 1 3 . 1 1 27 27 ARG N N 27 114.118 114.118 118.358 -4.240 19642 1165 1 3 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.487 -0.247 19642 1166 1 3 . 1 1 27 27 ARG C C 27 178.376 178.376 177.006 1.370 19642 1167 1 3 . 1 1 27 27 ARG CA C 27 58.115 58.115 57.211 0.905 19642 1168 1 3 . 1 1 27 27 ARG CB C 27 29.541 29.541 30.442 -0.901 19642 1169 1 3 . 1 1 27 27 ARG H H 27 8.362 8.362 7.973 0.389 19642 1170 1 3 . 1 1 28 28 ASP N N 28 116.954 116.954 121.791 -4.837 19642 1171 1 3 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.436 0.025 19642 1172 1 3 . 1 1 28 28 ASP C C 28 180.328 180.328 178.496 1.832 19642 1173 1 3 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.672 -0.145 19642 1174 1 3 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.585 0.979 19642 1175 1 3 . 1 1 28 28 ASP H H 28 7.688 7.688 7.824 -0.136 19642 1176 1 3 . 1 1 29 29 LEU N N 29 117.931 117.931 117.589 0.342 19642 1177 1 3 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.113 0.204 19642 1178 1 3 . 1 1 29 29 LEU C C 29 178.541 178.541 178.506 0.035 19642 1179 1 3 . 1 1 29 29 LEU CA C 29 56.849 56.849 56.939 -0.090 19642 1180 1 3 . 1 1 29 29 LEU CB C 29 41.772 41.772 42.016 -0.244 19642 1181 1 3 . 1 1 29 29 LEU H H 29 7.173 7.173 7.926 -0.753 19642 1182 1 3 . 1 1 30 30 GLU N N 30 121.321 121.321 119.822 1.499 19642 1183 1 3 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.142 -0.354 19642 1184 1 3 . 1 1 30 30 GLU C C 30 179.497 179.497 178.708 0.789 19642 1185 1 3 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.209 1.090 19642 1186 1 3 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.438 0.234 19642 1187 1 3 . 1 1 30 30 GLU H H 30 8.632 8.632 7.684 0.948 19642 1188 1 3 . 1 1 31 31 GLU N N 31 118.162 118.162 119.270 -1.108 19642 1189 1 3 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.124 -0.057 19642 1190 1 3 . 1 1 31 31 GLU C C 31 179.635 179.635 179.304 0.331 19642 1191 1 3 . 1 1 31 31 GLU CA C 31 59.357 59.357 59.094 0.263 19642 1192 1 3 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.291 0.205 19642 1193 1 3 . 1 1 31 31 GLU H H 31 8.405 8.405 8.393 0.012 19642 1194 1 3 . 1 1 32 32 PHE N N 32 120.127 120.127 121.555 -1.428 19642 1195 1 3 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.081 0.272 19642 1196 1 3 . 1 1 32 32 PHE C C 32 177.183 177.183 177.188 -0.005 19642 1197 1 3 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.746 0.195 19642 1198 1 3 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.453 1.468 19642 1199 1 3 . 1 1 32 32 PHE H H 32 7.767 7.767 7.752 0.015 19642 1200 1 3 . 1 1 33 33 PHE N N 33 112.879 112.879 116.493 -3.614 19642 1201 1 3 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.346 -0.095 19642 1202 1 3 . 1 1 33 33 PHE C C 33 177.304 177.304 177.590 -0.286 19642 1203 1 3 . 1 1 33 33 PHE CA C 33 61.179 61.179 57.819 3.360 19642 1204 1 3 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.606 -0.026 19642 1205 1 3 . 1 1 33 33 PHE H H 33 8.489 8.489 7.365 1.124 19642 1206 1 3 . 1 1 34 34 SER N N 34 115.870 115.870 116.544 -0.674 19642 1207 1 3 . 1 1 34 34 SER HA H 34 5.119 5.119 4.485 0.634 19642 1208 1 3 . 1 1 34 34 SER C C 34 175.464 175.464 176.688 -1.224 19642 1209 1 3 . 1 1 34 34 SER CA C 34 61.268 61.268 61.641 -0.373 19642 1210 1 3 . 1 1 34 34 SER CB C 34 62.915 62.915 62.335 0.580 19642 1211 1 3 . 1 1 34 34 SER H H 34 7.997 7.997 8.196 -0.199 19642 1212 1 3 . 1 1 35 35 THR N N 35 110.934 110.934 116.853 -5.919 19642 1213 1 3 . 1 1 35 35 THR HA H 35 4.147 4.147 4.240 -0.093 19642 1214 1 3 . 1 1 35 35 THR C C 35 176.410 176.410 175.211 1.199 19642 1215 1 3 . 1 1 35 35 THR CA C 35 63.756 63.756 64.390 -0.634 19642 1216 1 3 . 1 1 35 35 THR CB C 35 68.802 68.802 69.121 -0.319 19642 1217 1 3 . 1 1 35 35 THR H H 35 7.188 7.188 7.847 -0.659 19642 1218 1 3 . 1 1 36 36 VAL N N 36 111.644 111.644 116.481 -4.837 19642 1219 1 3 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.622 0.001 19642 1220 1 3 . 1 1 36 36 VAL C C 36 176.046 176.046 174.547 1.499 19642 1221 1 3 . 1 1 36 36 VAL CA C 36 60.472 60.472 60.789 -0.317 19642 1222 1 3 . 1 1 36 36 VAL CB C 36 32.425 32.425 31.599 0.827 19642 1223 1 3 . 1 1 36 36 VAL H H 36 7.665 7.665 7.693 -0.028 19642 1224 1 3 . 1 1 37 37 GLY N N 37 109.343 109.343 109.106 0.237 19642 1225 1 3 . 1 1 37 37 GLY CA C 37 45.269 45.269 44.691 0.578 19642 1226 1 3 . 1 1 37 37 GLY H H 37 7.640 7.640 7.549 0.091 19642 1227 1 3 . 1 1 38 38 LYS N N 38 117.953 117.953 120.349 -2.396 19642 1228 1 3 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.311 0.228 19642 1229 1 3 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.000 0.724 19642 1230 1 3 . 1 1 38 38 LYS CB C 38 32.875 32.875 34.187 -1.312 19642 1231 1 3 . 1 1 38 38 LYS H H 38 8.246 8.246 8.156 0.090 19642 1232 1 3 . 1 1 39 39 VAL N N 39 128.639 128.639 119.052 9.587 19642 1233 1 3 . 1 1 39 39 VAL HA H 39 3.685 3.685 4.099 -0.414 19642 1234 1 3 . 1 1 39 39 VAL CA C 39 62.816 62.816 59.420 3.396 19642 1235 1 3 . 1 1 39 39 VAL CB C 39 32.992 32.992 34.410 -1.418 19642 1236 1 3 . 1 1 39 39 VAL H H 39 9.126 9.126 7.736 1.390 19642 1237 1 3 . 1 1 40 40 ARG N N 40 129.292 129.292 126.155 3.137 19642 1238 1 3 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.187 0.092 19642 1239 1 3 . 1 1 40 40 ARG C C 40 175.643 175.643 175.924 -0.281 19642 1240 1 3 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.860 -1.526 19642 1241 1 3 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.364 0.296 19642 1242 1 3 . 1 1 40 40 ARG H H 40 9.573 9.573 9.029 0.544 19642 1243 1 3 . 1 1 41 41 ASP N N 41 116.255 116.255 114.003 2.252 19642 1244 1 3 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.731 0.109 19642 1245 1 3 . 1 1 41 41 ASP C C 41 173.674 173.674 173.548 0.126 19642 1246 1 3 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.815 -0.110 19642 1247 1 3 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.642 0.261 19642 1248 1 3 . 1 1 41 41 ASP H H 41 7.762 7.762 7.831 -0.069 19642 1249 1 3 . 1 1 42 42 VAL N N 42 122.442 122.442 119.719 2.723 19642 1250 1 3 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.587 0.048 19642 1251 1 3 . 1 1 42 42 VAL C C 42 174.714 174.714 174.798 -0.084 19642 1252 1 3 . 1 1 42 42 VAL CA C 42 61.274 61.274 62.219 -0.945 19642 1253 1 3 . 1 1 42 42 VAL CB C 42 34.832 34.832 33.481 1.351 19642 1254 1 3 . 1 1 42 42 VAL H H 42 7.939 7.939 8.552 -0.613 19642 1255 1 3 . 1 1 43 43 ARG N N 43 126.687 126.687 129.920 -3.233 19642 1256 1 3 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.704 0.061 19642 1257 1 3 . 1 1 43 43 ARG C C 43 175.278 175.278 175.180 0.098 19642 1258 1 3 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.902 -0.524 19642 1259 1 3 . 1 1 43 43 ARG CB C 43 32.434 32.434 30.258 2.176 19642 1260 1 3 . 1 1 43 43 ARG H H 43 9.171 9.171 8.790 0.381 19642 1261 1 3 . 1 1 44 44 MET N N 44 123.092 123.092 120.210 2.882 19642 1262 1 3 . 1 1 44 44 MET HA H 44 4.906 4.906 4.754 0.152 19642 1263 1 3 . 1 1 44 44 MET C C 44 176.360 176.360 175.851 0.509 19642 1264 1 3 . 1 1 44 44 MET CA C 44 53.152 53.152 55.033 -1.881 19642 1265 1 3 . 1 1 44 44 MET CB C 44 32.940 32.940 33.813 -0.873 19642 1266 1 3 . 1 1 44 44 MET H H 44 8.939 8.939 8.071 0.868 19642 1267 1 3 . 1 1 45 45 ILE N N 45 124.146 124.146 121.412 2.734 19642 1268 1 3 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.288 0.172 19642 1269 1 3 . 1 1 45 45 ILE C C 45 175.961 175.961 177.012 -1.051 19642 1270 1 3 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.661 -0.714 19642 1271 1 3 . 1 1 45 45 ILE CB C 45 38.193 38.193 38.801 -0.608 19642 1272 1 3 . 1 1 45 45 ILE H H 45 8.319 8.319 8.105 0.214 19642 1273 1 3 . 1 1 46 46 SER N N 46 121.541 121.541 122.274 -0.733 19642 1274 1 3 . 1 1 46 46 SER HA H 46 4.709 4.709 4.342 0.367 19642 1275 1 3 . 1 1 46 46 SER C C 46 174.061 174.061 174.011 0.050 19642 1276 1 3 . 1 1 46 46 SER CA C 46 57.381 57.381 58.463 -1.082 19642 1277 1 3 . 1 1 46 46 SER CB C 46 64.273 64.273 62.673 1.599 19642 1278 1 3 . 1 1 46 46 SER H H 46 8.653 8.653 8.509 0.144 19642 1279 1 3 . 1 1 47 47 ASP N N 47 123.132 123.132 124.732 -1.600 19642 1280 1 3 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.595 0.063 19642 1281 1 3 . 1 1 47 47 ASP C C 47 177.203 177.203 175.920 1.283 19642 1282 1 3 . 1 1 47 47 ASP CA C 47 53.662 53.662 54.843 -1.181 19642 1283 1 3 . 1 1 47 47 ASP CB C 47 41.920 41.920 42.095 -0.175 19642 1284 1 3 . 1 1 47 47 ASP H H 47 8.598 8.598 7.926 0.672 19642 1285 1 3 . 1 1 48 48 ARG N N 48 122.881 122.881 124.650 -1.769 19642 1286 1 3 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.431 -0.224 19642 1287 1 3 . 1 1 48 48 ARG C C 48 177.090 177.090 176.167 0.923 19642 1288 1 3 . 1 1 48 48 ARG CA C 48 57.206 57.206 55.542 1.664 19642 1289 1 3 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.486 -1.711 19642 1290 1 3 . 1 1 48 48 ARG H H 48 8.648 8.648 8.498 0.150 19642 1291 1 3 . 1 1 49 49 ASN N N 49 117.245 117.245 115.948 1.297 19642 1292 1 3 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.503 0.243 19642 1293 1 3 . 1 1 49 49 ASN C C 49 175.822 175.822 174.827 0.995 19642 1294 1 3 . 1 1 49 49 ASN CA C 49 53.592 53.592 54.812 -1.220 19642 1295 1 3 . 1 1 49 49 ASN CB C 49 38.910 38.910 37.924 0.986 19642 1296 1 3 . 1 1 49 49 ASN H H 49 8.502 8.502 8.429 0.073 19642 1297 1 3 . 1 1 50 50 SER N N 50 114.891 114.891 113.253 1.638 19642 1298 1 3 . 1 1 50 50 SER HA H 50 4.429 4.429 4.439 -0.010 19642 1299 1 3 . 1 1 50 50 SER C C 50 175.339 175.339 173.652 1.687 19642 1300 1 3 . 1 1 50 50 SER CA C 50 58.396 58.396 59.467 -1.071 19642 1301 1 3 . 1 1 50 50 SER CB C 50 63.681 63.681 64.449 -0.768 19642 1302 1 3 . 1 1 50 50 SER H H 50 8.158 8.158 8.101 0.057 19642 1303 1 3 . 1 1 51 51 ARG N N 51 120.957 120.957 119.822 1.135 19642 1304 1 3 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.560 -0.271 19642 1305 1 3 . 1 1 51 51 ARG C C 51 176.845 176.845 174.434 2.411 19642 1306 1 3 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.510 0.162 19642 1307 1 3 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.986 -1.366 19642 1308 1 3 . 1 1 51 51 ARG H H 51 8.451 8.451 8.352 0.099 19642 1309 1 3 . 1 1 52 52 ARG N N 52 119.405 119.405 120.519 -1.114 19642 1310 1 3 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.544 -0.124 19642 1311 1 3 . 1 1 52 52 ARG CA C 52 55.765 55.765 55.535 0.230 19642 1312 1 3 . 1 1 52 52 ARG CB C 52 30.875 30.875 32.824 -1.948 19642 1313 1 3 . 1 1 52 52 ARG H H 52 8.159 8.159 8.123 0.036 19642 1314 1 3 . 1 1 53 53 SER N N 53 116.328 116.328 118.863 -2.535 19642 1315 1 3 . 1 1 53 53 SER HA H 53 4.492 4.492 4.416 0.076 19642 1316 1 3 . 1 1 53 53 SER CA C 53 58.142 58.142 58.108 0.034 19642 1317 1 3 . 1 1 53 53 SER CB C 53 63.447 63.447 62.197 1.250 19642 1318 1 3 . 1 1 53 53 SER H H 53 8.370 8.370 8.896 -0.526 19642 1319 1 3 . 1 1 54 54 LYS N N 54 122.099 122.099 117.432 4.667 19642 1320 1 3 . 1 1 54 54 LYS HA H 54 4.499 4.499 3.981 0.518 19642 1321 1 3 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.177 -1.614 19642 1322 1 3 . 1 1 54 54 LYS CB C 54 33.079 33.079 31.252 1.827 19642 1323 1 3 . 1 1 54 54 LYS H H 54 8.374 8.374 8.011 0.363 19642 1324 1 3 . 1 1 55 55 GLY N N 55 109.513 109.513 103.674 5.839 19642 1325 1 3 . 1 1 55 55 GLY C C 55 172.962 172.962 172.381 0.581 19642 1326 1 3 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.599 1.295 19642 1327 1 3 . 1 1 55 55 GLY H H 55 8.592 8.592 7.955 0.637 19642 1328 1 3 . 1 1 56 56 ILE N N 56 114.180 114.180 118.409 -4.229 19642 1329 1 3 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.324 -0.312 19642 1330 1 3 . 1 1 56 56 ILE C C 56 175.172 175.172 173.557 1.615 19642 1331 1 3 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.883 -0.152 19642 1332 1 3 . 1 1 56 56 ILE CB C 56 42.162 42.162 42.582 -0.420 19642 1333 1 3 . 1 1 56 56 ILE H H 56 7.618 7.618 8.008 -0.390 19642 1334 1 3 . 1 1 57 57 ALA N N 57 121.556 121.556 121.835 -0.279 19642 1335 1 3 . 1 1 57 57 ALA HA H 57 5.120 5.120 4.592 0.528 19642 1336 1 3 . 1 1 57 57 ALA C C 57 175.094 175.094 174.659 0.435 19642 1337 1 3 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.691 -0.991 19642 1338 1 3 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.425 1.745 19642 1339 1 3 . 1 1 57 57 ALA H H 57 8.308 8.308 7.278 1.030 19642 1340 1 3 . 1 1 58 58 TYR N N 58 118.387 118.387 118.950 -0.563 19642 1341 1 3 . 1 1 58 58 TYR HA H 58 5.481 5.481 4.903 0.578 19642 1342 1 3 . 1 1 58 58 TYR C C 58 175.537 175.537 174.758 0.779 19642 1343 1 3 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.554 -0.040 19642 1344 1 3 . 1 1 58 58 TYR CB C 58 40.607 40.607 39.635 0.972 19642 1345 1 3 . 1 1 58 58 TYR H H 58 8.971 8.971 8.140 0.831 19642 1346 1 3 . 1 1 59 59 VAL N N 59 122.978 122.978 123.505 -0.527 19642 1347 1 3 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.245 0.131 19642 1348 1 3 . 1 1 59 59 VAL C C 59 172.631 172.631 174.780 -2.149 19642 1349 1 3 . 1 1 59 59 VAL CA C 59 61.217 61.217 62.063 -0.846 19642 1350 1 3 . 1 1 59 59 VAL CB C 59 33.575 33.575 32.939 0.636 19642 1351 1 3 . 1 1 59 59 VAL H H 59 8.828 8.828 9.029 -0.201 19642 1352 1 3 . 1 1 60 60 GLU N N 60 128.557 128.557 128.541 0.016 19642 1353 1 3 . 1 1 60 60 GLU HA H 60 4.851 4.851 5.121 -0.270 19642 1354 1 3 . 1 1 60 60 GLU C C 60 176.210 176.210 175.449 0.761 19642 1355 1 3 . 1 1 60 60 GLU CA C 60 53.842 53.842 53.825 0.017 19642 1356 1 3 . 1 1 60 60 GLU CB C 60 33.103 33.103 31.272 1.831 19642 1357 1 3 . 1 1 60 60 GLU H H 60 8.774 8.774 8.984 -0.210 19642 1358 1 3 . 1 1 61 61 PHE N N 61 126.659 126.659 123.518 3.141 19642 1359 1 3 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.325 0.591 19642 1360 1 3 . 1 1 61 61 PHE C C 61 176.011 176.011 175.844 0.167 19642 1361 1 3 . 1 1 61 61 PHE CA C 61 58.586 58.586 60.441 -1.855 19642 1362 1 3 . 1 1 61 61 PHE CB C 61 41.038 41.038 39.743 1.295 19642 1363 1 3 . 1 1 61 61 PHE H H 61 9.340 9.340 8.652 0.688 19642 1364 1 3 . 1 1 62 62 VAL N N 62 118.280 118.280 118.241 0.039 19642 1365 1 3 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.973 -0.230 19642 1366 1 3 . 1 1 62 62 VAL C C 62 176.097 176.097 175.220 0.877 19642 1367 1 3 . 1 1 62 62 VAL CA C 62 65.785 65.785 64.222 1.563 19642 1368 1 3 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.388 0.423 19642 1369 1 3 . 1 1 62 62 VAL H H 62 8.184 8.184 8.108 0.076 19642 1370 1 3 . 1 1 63 63 ASP N N 63 118.269 118.269 115.655 2.614 19642 1371 1 3 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.833 0.359 19642 1372 1 3 . 1 1 63 63 ASP C C 63 176.648 176.648 177.001 -0.353 19642 1373 1 3 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.829 -0.190 19642 1374 1 3 . 1 1 63 63 ASP CB C 63 44.569 44.569 44.108 0.461 19642 1375 1 3 . 1 1 63 63 ASP H H 63 8.708 8.708 7.940 0.768 19642 1376 1 3 . 1 1 64 64 VAL N N 64 121.961 121.961 124.205 -2.244 19642 1377 1 3 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.653 0.158 19642 1378 1 3 . 1 1 64 64 VAL C C 64 178.439 178.439 177.524 0.915 19642 1379 1 3 . 1 1 64 64 VAL CA C 64 64.819 64.819 66.163 -1.344 19642 1380 1 3 . 1 1 64 64 VAL CB C 64 32.050 32.050 31.896 0.154 19642 1381 1 3 . 1 1 64 64 VAL H H 64 8.609 8.609 8.858 -0.249 19642 1382 1 3 . 1 1 65 65 SER N N 65 115.305 115.305 115.237 0.068 19642 1383 1 3 . 1 1 65 65 SER HA H 65 4.143 4.143 4.129 0.014 19642 1384 1 3 . 1 1 65 65 SER C C 65 176.285 176.285 175.798 0.487 19642 1385 1 3 . 1 1 65 65 SER CA C 65 60.158 60.158 61.209 -1.051 19642 1386 1 3 . 1 1 65 65 SER CB C 65 62.066 62.066 62.715 -0.649 19642 1387 1 3 . 1 1 65 65 SER H H 65 8.492 8.492 8.879 -0.387 19642 1388 1 3 . 1 1 66 66 SER N N 66 116.053 116.053 116.471 -0.418 19642 1389 1 3 . 1 1 66 66 SER HA H 66 4.024 4.024 4.229 -0.205 19642 1390 1 3 . 1 1 66 66 SER C C 66 174.528 174.528 175.086 -0.558 19642 1391 1 3 . 1 1 66 66 SER CA C 66 60.749 60.749 59.860 0.889 19642 1392 1 3 . 1 1 66 66 SER CB C 66 63.063 63.063 62.779 0.284 19642 1393 1 3 . 1 1 66 66 SER H H 66 7.414 7.414 7.486 -0.072 19642 1394 1 3 . 1 1 67 67 VAL N N 67 119.830 119.830 122.753 -2.923 19642 1395 1 3 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.521 -0.201 19642 1396 1 3 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.202 0.836 19642 1397 1 3 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.557 -0.359 19642 1398 1 3 . 1 1 67 67 VAL H H 67 7.611 7.611 7.785 -0.174 19642 1399 1 3 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.195 0.070 19642 1400 1 3 . 1 1 68 68 PRO C C 68 180.457 180.457 178.292 2.165 19642 1401 1 3 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.230 -0.158 19642 1402 1 3 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.170 -0.432 19642 1403 1 3 . 1 1 69 69 LEU N N 69 115.334 115.334 120.115 -4.781 19642 1404 1 3 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.922 0.177 19642 1405 1 3 . 1 1 69 69 LEU C C 69 179.450 179.450 177.914 1.536 19642 1406 1 3 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.459 -1.017 19642 1407 1 3 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.581 -0.459 19642 1408 1 3 . 1 1 69 69 LEU H H 69 6.284 6.284 7.379 -1.095 19642 1409 1 3 . 1 1 70 70 ALA N N 70 122.703 122.703 121.163 1.540 19642 1410 1 3 . 1 1 70 70 ALA HA H 70 4.175 4.175 3.714 0.461 19642 1411 1 3 . 1 1 70 70 ALA C C 70 180.611 180.611 179.592 1.019 19642 1412 1 3 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.570 0.325 19642 1413 1 3 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.510 2.034 19642 1414 1 3 . 1 1 70 70 ALA H H 70 8.342 8.342 7.179 1.163 19642 1415 1 3 . 1 1 71 71 ILE N N 71 118.692 118.692 118.414 0.278 19642 1416 1 3 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.686 0.579 19642 1417 1 3 . 1 1 71 71 ILE C C 71 179.971 179.971 178.435 1.536 19642 1418 1 3 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.453 0.664 19642 1419 1 3 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.871 0.729 19642 1420 1 3 . 1 1 71 71 ILE H H 71 8.255 8.255 7.234 1.021 19642 1421 1 3 . 1 1 72 72 GLY N N 72 106.417 106.417 108.159 -1.742 19642 1422 1 3 . 1 1 72 72 GLY C C 72 174.590 174.590 176.006 -1.416 19642 1423 1 3 . 1 1 72 72 GLY CA C 72 45.891 45.891 47.002 -1.111 19642 1424 1 3 . 1 1 72 72 GLY H H 72 7.635 7.635 7.864 -0.229 19642 1425 1 3 . 1 1 73 73 LEU N N 73 120.383 120.383 120.479 -0.096 19642 1426 1 3 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.368 0.043 19642 1427 1 3 . 1 1 73 73 LEU C C 73 176.338 176.338 178.166 -1.828 19642 1428 1 3 . 1 1 73 73 LEU CA C 73 54.949 54.949 55.046 -0.097 19642 1429 1 3 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.182 -0.589 19642 1430 1 3 . 1 1 73 73 LEU H H 73 7.767 7.767 7.524 0.243 19642 1431 1 3 . 1 1 74 74 THR N N 74 115.157 115.157 116.375 -1.218 19642 1432 1 3 . 1 1 74 74 THR HA H 74 4.060 4.060 4.186 -0.126 19642 1433 1 3 . 1 1 74 74 THR C C 74 175.656 175.656 176.129 -0.473 19642 1434 1 3 . 1 1 74 74 THR CA C 74 66.177 66.177 66.499 -0.322 19642 1435 1 3 . 1 1 74 74 THR CB C 74 69.821 69.821 68.707 1.114 19642 1436 1 3 . 1 1 74 74 THR H H 74 7.731 7.731 7.976 -0.245 19642 1437 1 3 . 1 1 75 75 GLY N N 75 117.587 117.587 107.476 10.111 19642 1438 1 3 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.396 0.229 19642 1439 1 3 . 1 1 75 75 GLY H H 75 9.519 9.519 7.979 1.540 19642 1440 1 3 . 1 1 76 76 GLN N N 76 120.027 120.027 120.068 -0.041 19642 1441 1 3 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.416 -0.102 19642 1442 1 3 . 1 1 76 76 GLN C C 76 175.015 175.015 174.836 0.179 19642 1443 1 3 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.557 0.262 19642 1444 1 3 . 1 1 76 76 GLN CB C 76 28.220 28.220 30.243 -2.023 19642 1445 1 3 . 1 1 76 76 GLN H H 76 8.319 8.319 7.938 0.381 19642 1446 1 3 . 1 1 77 77 ARG N N 77 118.759 118.759 116.844 1.915 19642 1447 1 3 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.598 -0.467 19642 1448 1 3 . 1 1 77 77 ARG C C 77 176.209 176.209 175.222 0.987 19642 1449 1 3 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.369 0.722 19642 1450 1 3 . 1 1 77 77 ARG CB C 77 31.364 31.364 29.720 1.644 19642 1451 1 3 . 1 1 77 77 ARG H H 77 8.544 8.544 8.623 -0.079 19642 1452 1 3 . 1 1 78 78 VAL N N 78 123.886 123.886 126.680 -2.794 19642 1453 1 3 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.671 0.164 19642 1454 1 3 . 1 1 78 78 VAL C C 78 176.570 176.570 175.914 0.656 19642 1455 1 3 . 1 1 78 78 VAL CA C 78 61.470 61.470 63.623 -2.153 19642 1456 1 3 . 1 1 78 78 VAL CB C 78 32.202 32.202 30.774 1.427 19642 1457 1 3 . 1 1 78 78 VAL H H 78 8.015 8.015 8.370 -0.355 19642 1458 1 3 . 1 1 79 79 LEU N N 79 129.331 129.331 128.272 1.059 19642 1459 1 3 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.934 -0.102 19642 1460 1 3 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.171 0.602 19642 1461 1 3 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.230 0.311 19642 1462 1 3 . 1 1 79 79 LEU H H 79 9.570 9.570 8.549 1.021 19642 1463 1 3 . 1 1 80 80 GLY N N 80 100.301 100.301 105.153 -4.852 19642 1464 1 3 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.996 0.233 19642 1465 1 3 . 1 1 80 80 GLY H H 80 8.316 8.316 8.160 0.156 19642 1466 1 3 . 1 1 81 81 VAL N N 81 122.763 122.763 120.137 2.626 19642 1467 1 3 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.453 0.184 19642 1468 1 3 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.799 0.556 19642 1469 1 3 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.368 3.529 19642 1470 1 3 . 1 1 81 81 VAL H H 81 7.632 7.632 7.105 0.527 19642 1471 1 3 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.781 -0.449 19642 1472 1 3 . 1 1 82 82 PRO C C 82 175.005 175.005 175.784 -0.779 19642 1473 1 3 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.086 0.417 19642 1474 1 3 . 1 1 82 82 PRO CB C 82 31.280 31.280 33.011 -1.731 19642 1475 1 3 . 1 1 83 83 ILE N N 83 126.022 126.022 116.570 9.452 19642 1476 1 3 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.780 -0.154 19642 1477 1 3 . 1 1 83 83 ILE C C 83 175.679 175.679 174.378 1.301 19642 1478 1 3 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.718 2.252 19642 1479 1 3 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.865 -0.952 19642 1480 1 3 . 1 1 83 83 ILE H H 83 8.391 8.391 7.609 0.782 19642 1481 1 3 . 1 1 84 84 ILE N N 84 125.284 125.284 124.759 0.525 19642 1482 1 3 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.579 -0.146 19642 1483 1 3 . 1 1 84 84 ILE C C 84 174.418 174.418 177.430 -3.012 19642 1484 1 3 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.106 2.207 19642 1485 1 3 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.791 1.109 19642 1486 1 3 . 1 1 84 84 ILE H H 84 7.842 7.842 8.767 -0.925 19642 1487 1 3 . 1 1 85 85 VAL N N 85 128.143 128.143 122.395 5.748 19642 1488 1 3 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.806 -0.189 19642 1489 1 3 . 1 1 85 85 VAL CA C 85 64.887 64.887 63.713 1.174 19642 1490 1 3 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.894 2.175 19642 1491 1 3 . 1 1 85 85 VAL H H 85 8.400 8.400 8.521 -0.121 19642 1492 1 3 . 1 1 86 86 GLN N N 86 122.965 122.965 119.364 3.601 19642 1493 1 3 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.063 0.840 19642 1494 1 3 . 1 1 86 86 GLN C C 86 175.590 175.590 176.344 -0.754 19642 1495 1 3 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.531 3.225 19642 1496 1 3 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.860 5.153 19642 1497 1 3 . 1 1 86 86 GLN H H 86 9.242 9.242 8.011 1.231 19642 1498 1 3 . 1 1 87 87 ALA N N 87 123.174 123.174 118.176 4.998 19642 1499 1 3 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.064 0.292 19642 1500 1 3 . 1 1 87 87 ALA C C 87 178.095 178.095 177.066 1.029 19642 1501 1 3 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.698 0.127 19642 1502 1 3 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.540 -0.006 19642 1503 1 3 . 1 1 87 87 ALA H H 87 8.907 8.907 7.932 0.975 19642 1504 1 3 . 1 1 88 88 SER N N 88 114.952 114.952 116.697 -1.745 19642 1505 1 3 . 1 1 88 88 SER HA H 88 4.294 4.294 4.546 -0.252 19642 1506 1 3 . 1 1 88 88 SER C C 88 175.470 175.470 174.271 1.199 19642 1507 1 3 . 1 1 88 88 SER CA C 88 59.617 59.617 57.752 1.865 19642 1508 1 3 . 1 1 88 88 SER CB C 88 63.409 63.409 62.671 0.738 19642 1509 1 3 . 1 1 88 88 SER H H 88 8.343 8.343 8.676 -0.333 19642 1510 1 3 . 1 1 89 89 GLN N N 89 121.151 121.151 126.738 -5.587 19642 1511 1 3 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.418 -0.105 19642 1512 1 3 . 1 1 89 89 GLN C C 89 175.838 175.838 175.937 -0.099 19642 1513 1 3 . 1 1 89 89 GLN CA C 89 55.286 55.286 55.135 0.151 19642 1514 1 3 . 1 1 89 89 GLN CB C 89 29.333 29.333 29.617 -0.284 19642 1515 1 3 . 1 1 89 89 GLN H H 89 8.348 8.348 7.928 0.420 19642 1516 1 3 . 1 1 90 90 ALA N N 90 124.942 124.942 126.229 -1.287 19642 1517 1 3 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.157 0.046 19642 1518 1 3 . 1 1 90 90 ALA C C 90 178.381 178.381 177.631 0.750 19642 1519 1 3 . 1 1 90 90 ALA CA C 90 52.762 52.762 52.398 0.364 19642 1520 1 3 . 1 1 90 90 ALA CB C 90 19.071 19.071 18.553 0.518 19642 1521 1 3 . 1 1 90 90 ALA H H 90 8.245 8.245 8.707 -0.462 19642 1522 1 3 . 1 1 91 91 GLU N N 91 119.604 119.604 121.136 -1.532 19642 1523 1 3 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.358 -0.205 19642 1524 1 3 . 1 1 91 91 GLU C C 91 176.986 176.986 176.567 0.419 19642 1525 1 3 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.913 -0.378 19642 1526 1 3 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.441 1.589 19642 1527 1 3 . 1 1 91 91 GLU H H 91 8.414 8.414 8.852 -0.438 19642 1528 1 3 . 1 1 92 92 LYS N N 92 121.284 121.284 118.109 3.175 19642 1529 1 3 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.403 -0.113 19642 1530 1 3 . 1 1 92 92 LYS C C 92 176.699 176.699 177.032 -0.333 19642 1531 1 3 . 1 1 92 92 LYS CA C 92 56.042 56.042 56.292 -0.250 19642 1532 1 3 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.722 -1.017 19642 1533 1 3 . 1 1 92 92 LYS H H 92 8.212 8.212 7.813 0.399 19642 1534 1 3 . 1 1 93 93 ASN N N 93 119.221 119.221 121.555 -2.334 19642 1535 1 3 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.776 -0.076 19642 1536 1 3 . 1 1 93 93 ASN C C 93 174.424 174.424 175.105 -0.681 19642 1537 1 3 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.435 -0.325 19642 1538 1 3 . 1 1 93 93 ASN CB C 93 38.726 38.726 37.644 1.082 19642 1539 1 3 . 1 1 93 93 ASN H H 93 8.370 8.370 7.961 0.409 19642 1540 1 4 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.385 0.308 19642 1541 1 4 . 1 1 2 2 HIS C C 2 175.244 175.244 175.966 -0.722 19642 1542 1 4 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.780 -0.931 19642 1543 1 4 . 1 1 2 2 HIS CB C 2 30.165 30.165 29.515 0.650 19642 1544 1 4 . 1 1 3 3 MET HA H 3 4.464 4.464 3.949 0.515 19642 1545 1 4 . 1 1 3 3 MET C C 3 175.896 175.896 175.443 0.453 19642 1546 1 4 . 1 1 3 3 MET CA C 3 55.188 55.188 56.885 -1.697 19642 1547 1 4 . 1 1 3 3 MET CB C 3 32.736 32.736 30.491 2.245 19642 1548 1 4 . 1 1 4 4 ASN N N 4 120.610 120.610 117.456 3.154 19642 1549 1 4 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.313 0.439 19642 1550 1 4 . 1 1 4 4 ASN C C 4 175.033 175.033 174.153 0.880 19642 1551 1 4 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.865 -1.137 19642 1552 1 4 . 1 1 4 4 ASN CB C 4 38.604 38.604 38.171 0.433 19642 1553 1 4 . 1 1 4 4 ASN H H 4 8.564 8.564 8.056 0.508 19642 1554 1 4 . 1 1 5 5 LEU N N 5 122.314 122.314 121.106 1.208 19642 1555 1 4 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.324 0.286 19642 1556 1 4 . 1 1 5 5 LEU C C 5 178.178 178.178 177.265 0.913 19642 1557 1 4 . 1 1 5 5 LEU CA C 5 54.305 54.305 56.226 -1.921 19642 1558 1 4 . 1 1 5 5 LEU CB C 5 43.343 43.343 42.736 0.607 19642 1559 1 4 . 1 1 5 5 LEU H H 5 8.046 8.046 8.451 -0.405 19642 1560 1 4 . 1 1 6 6 THR N N 6 115.483 115.483 113.055 2.428 19642 1561 1 4 . 1 1 6 6 THR HA H 6 4.626 4.626 4.717 -0.091 19642 1562 1 4 . 1 1 6 6 THR CA C 6 60.039 60.039 58.468 1.571 19642 1563 1 4 . 1 1 6 6 THR CB C 6 68.119 68.119 70.009 -1.890 19642 1564 1 4 . 1 1 6 6 THR H H 6 8.948 8.948 7.864 1.084 19642 1565 1 4 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.385 -0.242 19642 1566 1 4 . 1 1 7 7 PRO CA C 7 65.573 65.573 64.744 0.829 19642 1567 1 4 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.784 -0.144 19642 1568 1 4 . 1 1 8 8 GLU N N 8 116.691 116.691 118.441 -1.750 19642 1569 1 4 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.171 -0.060 19642 1570 1 4 . 1 1 8 8 GLU CA C 8 59.572 59.572 58.910 0.662 19642 1571 1 4 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.639 -0.750 19642 1572 1 4 . 1 1 8 8 GLU H H 8 8.753 8.753 7.897 0.856 19642 1573 1 4 . 1 1 9 9 GLU N N 9 121.235 121.235 119.667 1.568 19642 1574 1 4 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.044 -0.003 19642 1575 1 4 . 1 1 9 9 GLU C C 9 180.194 180.194 178.570 1.624 19642 1576 1 4 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.412 -0.885 19642 1577 1 4 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.433 1.133 19642 1578 1 4 . 1 1 9 9 GLU H H 9 7.823 7.823 7.785 0.038 19642 1579 1 4 . 1 1 10 10 ARG N N 10 120.373 120.373 116.104 4.269 19642 1580 1 4 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.108 -0.221 19642 1581 1 4 . 1 1 10 10 ARG C C 10 180.714 180.714 177.346 3.368 19642 1582 1 4 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.407 1.378 19642 1583 1 4 . 1 1 10 10 ARG CB C 10 29.871 29.871 29.851 0.020 19642 1584 1 4 . 1 1 10 10 ARG H H 10 8.363 8.363 7.665 0.698 19642 1585 1 4 . 1 1 11 11 ASP N N 11 123.103 123.103 119.700 3.403 19642 1586 1 4 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.741 -0.427 19642 1587 1 4 . 1 1 11 11 ASP C C 11 179.081 179.081 177.640 1.441 19642 1588 1 4 . 1 1 11 11 ASP CA C 11 57.683 57.683 55.964 1.719 19642 1589 1 4 . 1 1 11 11 ASP CB C 11 40.022 40.022 42.138 -2.116 19642 1590 1 4 . 1 1 11 11 ASP H H 11 8.709 8.709 7.609 1.100 19642 1591 1 4 . 1 1 12 12 ALA N N 12 119.926 119.926 123.295 -3.369 19642 1592 1 4 . 1 1 12 12 ALA HA H 12 4.243 4.243 3.981 0.262 19642 1593 1 4 . 1 1 12 12 ALA C C 12 177.593 177.593 178.207 -0.614 19642 1594 1 4 . 1 1 12 12 ALA CA C 12 53.808 53.808 55.291 -1.483 19642 1595 1 4 . 1 1 12 12 ALA CB C 12 18.341 18.341 19.067 -0.726 19642 1596 1 4 . 1 1 12 12 ALA H H 12 7.615 7.615 8.468 -0.853 19642 1597 1 4 . 1 1 13 13 ARG N N 13 113.504 113.504 112.753 0.751 19642 1598 1 4 . 1 1 13 13 ARG HA H 13 4.427 4.427 3.879 0.548 19642 1599 1 4 . 1 1 13 13 ARG C C 13 174.905 174.905 174.982 -0.077 19642 1600 1 4 . 1 1 13 13 ARG CA C 13 55.588 55.588 57.370 -1.782 19642 1601 1 4 . 1 1 13 13 ARG CB C 13 30.789 30.789 28.582 2.207 19642 1602 1 4 . 1 1 13 13 ARG H H 13 7.204 7.204 7.908 -0.704 19642 1603 1 4 . 1 1 14 14 THR N N 14 117.103 117.103 112.148 4.955 19642 1604 1 4 . 1 1 14 14 THR HA H 14 5.589 5.589 5.254 0.335 19642 1605 1 4 . 1 1 14 14 THR C C 14 174.610 174.610 174.405 0.205 19642 1606 1 4 . 1 1 14 14 THR CA C 14 61.993 61.993 61.347 0.646 19642 1607 1 4 . 1 1 14 14 THR CB C 14 70.185 70.185 71.157 -0.972 19642 1608 1 4 . 1 1 14 14 THR H H 14 7.685 7.685 7.416 0.269 19642 1609 1 4 . 1 1 15 15 VAL N N 15 117.127 117.127 118.799 -1.672 19642 1610 1 4 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.537 0.543 19642 1611 1 4 . 1 1 15 15 VAL C C 15 173.786 173.786 173.788 -0.002 19642 1612 1 4 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.150 -1.565 19642 1613 1 4 . 1 1 15 15 VAL CB C 15 33.823 33.823 34.963 -1.140 19642 1614 1 4 . 1 1 15 15 VAL H H 15 9.154 9.154 9.074 0.080 19642 1615 1 4 . 1 1 16 16 PHE N N 16 122.697 122.697 126.626 -3.929 19642 1616 1 4 . 1 1 16 16 PHE HA H 16 5.183 5.183 5.031 0.152 19642 1617 1 4 . 1 1 16 16 PHE C C 16 174.520 174.520 175.724 -1.204 19642 1618 1 4 . 1 1 16 16 PHE CA C 16 54.981 54.981 54.711 0.270 19642 1619 1 4 . 1 1 16 16 PHE CB C 16 42.266 42.266 38.493 3.773 19642 1620 1 4 . 1 1 16 16 PHE H H 16 9.359 9.359 8.643 0.716 19642 1621 1 4 . 1 1 17 17 CYS N N 17 122.356 122.356 129.396 -7.040 19642 1622 1 4 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.430 1.137 19642 1623 1 4 . 1 1 17 17 CYS C C 17 173.018 173.018 174.149 -1.131 19642 1624 1 4 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.100 -2.392 19642 1625 1 4 . 1 1 17 17 CYS CB C 17 30.776 30.776 26.730 4.046 19642 1626 1 4 . 1 1 17 17 CYS H H 17 8.931 8.931 9.112 -0.181 19642 1627 1 4 . 1 1 18 18 MET N N 18 117.884 117.884 124.677 -6.793 19642 1628 1 4 . 1 1 18 18 MET HA H 18 4.846 4.846 4.271 0.575 19642 1629 1 4 . 1 1 18 18 MET C C 18 173.706 173.706 174.938 -1.232 19642 1630 1 4 . 1 1 18 18 MET CA C 18 53.623 53.623 55.014 -1.391 19642 1631 1 4 . 1 1 18 18 MET CB C 18 31.772 31.772 30.917 0.855 19642 1632 1 4 . 1 1 18 18 MET H H 18 8.818 8.818 7.996 0.822 19642 1633 1 4 . 1 1 19 19 GLN N N 19 115.022 115.022 118.632 -3.610 19642 1634 1 4 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.358 -0.660 19642 1635 1 4 . 1 1 19 19 GLN C C 19 173.403 173.403 174.424 -1.021 19642 1636 1 4 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.726 2.283 19642 1637 1 4 . 1 1 19 19 GLN CB C 19 27.922 27.922 30.793 -2.871 19642 1638 1 4 . 1 1 19 19 GLN H H 19 8.463 8.463 7.483 0.980 19642 1639 1 4 . 1 1 20 20 LEU N N 20 116.032 116.032 120.241 -4.209 19642 1640 1 4 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.129 0.125 19642 1641 1 4 . 1 1 20 20 LEU C C 20 177.827 177.827 176.630 1.197 19642 1642 1 4 . 1 1 20 20 LEU CA C 20 52.595 52.595 55.087 -2.492 19642 1643 1 4 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.269 0.989 19642 1644 1 4 . 1 1 20 20 LEU H H 20 7.685 7.685 8.049 -0.364 19642 1645 1 4 . 1 1 21 21 ALA N N 21 125.644 125.644 121.978 3.666 19642 1646 1 4 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.375 -0.230 19642 1647 1 4 . 1 1 21 21 ALA C C 21 178.868 178.868 178.315 0.553 19642 1648 1 4 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.492 0.169 19642 1649 1 4 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.309 -0.955 19642 1650 1 4 . 1 1 21 21 ALA H H 21 9.473 9.473 7.956 1.517 19642 1651 1 4 . 1 1 22 22 ALA N N 22 124.495 124.495 124.228 0.267 19642 1652 1 4 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.061 0.048 19642 1653 1 4 . 1 1 22 22 ALA C C 22 179.705 179.705 177.601 2.104 19642 1654 1 4 . 1 1 22 22 ALA CA C 22 54.560 54.560 54.281 0.279 19642 1655 1 4 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.368 -0.010 19642 1656 1 4 . 1 1 22 22 ALA H H 22 8.583 8.583 8.688 -0.105 19642 1657 1 4 . 1 1 23 23 ARG N N 23 111.716 111.716 116.324 -4.608 19642 1658 1 4 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.468 -0.100 19642 1659 1 4 . 1 1 23 23 ARG C C 23 176.243 176.243 176.131 0.112 19642 1660 1 4 . 1 1 23 23 ARG CA C 23 55.136 55.136 54.898 0.238 19642 1661 1 4 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.554 -1.393 19642 1662 1 4 . 1 1 23 23 ARG H H 23 7.905 7.905 7.744 0.161 19642 1663 1 4 . 1 1 24 24 ILE N N 24 121.734 121.734 121.909 -0.175 19642 1664 1 4 . 1 1 24 24 ILE HA H 24 3.892 3.892 3.956 -0.064 19642 1665 1 4 . 1 1 24 24 ILE C C 24 173.297 173.297 176.146 -2.849 19642 1666 1 4 . 1 1 24 24 ILE CA C 24 61.336 61.336 62.727 -1.391 19642 1667 1 4 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.804 -0.054 19642 1668 1 4 . 1 1 24 24 ILE H H 24 7.270 7.270 7.539 -0.269 19642 1669 1 4 . 1 1 25 25 ARG N N 25 125.810 125.810 128.767 -2.957 19642 1670 1 4 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.633 0.322 19642 1671 1 4 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.952 -1.535 19642 1672 1 4 . 1 1 25 25 ARG CB C 25 30.964 30.964 29.954 1.010 19642 1673 1 4 . 1 1 25 25 ARG H H 25 8.994 8.994 9.063 -0.069 19642 1674 1 4 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.272 -0.212 19642 1675 1 4 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.679 0.993 19642 1676 1 4 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.121 -0.661 19642 1677 1 4 . 1 1 27 27 ARG N N 27 114.118 114.118 117.483 -3.365 19642 1678 1 4 . 1 1 27 27 ARG HA H 27 4.240 4.240 3.977 0.263 19642 1679 1 4 . 1 1 27 27 ARG C C 27 178.376 178.376 177.463 0.913 19642 1680 1 4 . 1 1 27 27 ARG CA C 27 58.115 58.115 59.310 -1.195 19642 1681 1 4 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.709 -0.168 19642 1682 1 4 . 1 1 27 27 ARG H H 27 8.362 8.362 8.561 -0.199 19642 1683 1 4 . 1 1 28 28 ASP N N 28 116.954 116.954 120.161 -3.207 19642 1684 1 4 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.388 0.073 19642 1685 1 4 . 1 1 28 28 ASP C C 28 180.328 180.328 178.433 1.895 19642 1686 1 4 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.149 0.378 19642 1687 1 4 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.312 1.252 19642 1688 1 4 . 1 1 28 28 ASP H H 28 7.688 7.688 7.645 0.043 19642 1689 1 4 . 1 1 29 29 LEU N N 29 117.931 117.931 117.293 0.638 19642 1690 1 4 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.134 0.183 19642 1691 1 4 . 1 1 29 29 LEU C C 29 178.541 178.541 178.543 -0.002 19642 1692 1 4 . 1 1 29 29 LEU CA C 29 56.849 56.849 56.513 0.336 19642 1693 1 4 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.198 0.574 19642 1694 1 4 . 1 1 29 29 LEU H H 29 7.173 7.173 7.677 -0.504 19642 1695 1 4 . 1 1 30 30 GLU N N 30 121.321 121.321 119.022 2.299 19642 1696 1 4 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.121 -0.333 19642 1697 1 4 . 1 1 30 30 GLU C C 30 179.497 179.497 178.320 1.177 19642 1698 1 4 . 1 1 30 30 GLU CA C 30 60.299 60.299 58.721 1.578 19642 1699 1 4 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.432 0.240 19642 1700 1 4 . 1 1 30 30 GLU H H 30 8.632 8.632 7.866 0.766 19642 1701 1 4 . 1 1 31 31 GLU N N 31 118.162 118.162 119.363 -1.201 19642 1702 1 4 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.038 0.029 19642 1703 1 4 . 1 1 31 31 GLU C C 31 179.635 179.635 178.011 1.624 19642 1704 1 4 . 1 1 31 31 GLU CA C 31 59.357 59.357 59.140 0.217 19642 1705 1 4 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.299 0.198 19642 1706 1 4 . 1 1 31 31 GLU H H 31 8.405 8.405 8.474 -0.069 19642 1707 1 4 . 1 1 32 32 PHE N N 32 120.127 120.127 118.308 1.819 19642 1708 1 4 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.214 0.139 19642 1709 1 4 . 1 1 32 32 PHE C C 32 177.183 177.183 177.065 0.118 19642 1710 1 4 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.292 0.649 19642 1711 1 4 . 1 1 32 32 PHE CB C 32 39.922 39.922 39.175 0.747 19642 1712 1 4 . 1 1 32 32 PHE H H 32 7.767 7.767 7.390 0.377 19642 1713 1 4 . 1 1 33 33 PHE N N 33 112.879 112.879 117.419 -4.540 19642 1714 1 4 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.135 0.116 19642 1715 1 4 . 1 1 33 33 PHE C C 33 177.304 177.304 178.177 -0.873 19642 1716 1 4 . 1 1 33 33 PHE CA C 33 61.179 61.179 58.934 2.245 19642 1717 1 4 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.316 0.264 19642 1718 1 4 . 1 1 33 33 PHE H H 33 8.489 8.489 7.493 0.996 19642 1719 1 4 . 1 1 34 34 SER N N 34 115.870 115.870 116.516 -0.646 19642 1720 1 4 . 1 1 34 34 SER HA H 34 5.119 5.119 4.584 0.535 19642 1721 1 4 . 1 1 34 34 SER C C 34 175.464 175.464 177.138 -1.674 19642 1722 1 4 . 1 1 34 34 SER CA C 34 61.268 61.268 60.793 0.475 19642 1723 1 4 . 1 1 34 34 SER CB C 34 62.915 62.915 62.255 0.660 19642 1724 1 4 . 1 1 34 34 SER H H 34 7.997 7.997 8.872 -0.875 19642 1725 1 4 . 1 1 35 35 THR N N 35 110.934 110.934 117.849 -6.915 19642 1726 1 4 . 1 1 35 35 THR HA H 35 4.147 4.147 4.132 0.015 19642 1727 1 4 . 1 1 35 35 THR C C 35 176.410 176.410 174.837 1.573 19642 1728 1 4 . 1 1 35 35 THR CA C 35 63.756 63.756 65.046 -1.290 19642 1729 1 4 . 1 1 35 35 THR CB C 35 68.802 68.802 69.154 -0.352 19642 1730 1 4 . 1 1 35 35 THR H H 35 7.188 7.188 7.731 -0.543 19642 1731 1 4 . 1 1 36 36 VAL N N 36 111.644 111.644 115.628 -3.984 19642 1732 1 4 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.560 0.063 19642 1733 1 4 . 1 1 36 36 VAL C C 36 176.046 176.046 174.332 1.714 19642 1734 1 4 . 1 1 36 36 VAL CA C 36 60.472 60.472 59.875 0.597 19642 1735 1 4 . 1 1 36 36 VAL CB C 36 32.425 32.425 31.279 1.146 19642 1736 1 4 . 1 1 36 36 VAL H H 36 7.665 7.665 7.853 -0.188 19642 1737 1 4 . 1 1 37 37 GLY N N 37 109.343 109.343 111.919 -2.576 19642 1738 1 4 . 1 1 37 37 GLY CA C 37 45.269 45.269 44.803 0.466 19642 1739 1 4 . 1 1 37 37 GLY H H 37 7.640 7.640 7.564 0.076 19642 1740 1 4 . 1 1 38 38 LYS N N 38 117.953 117.953 120.541 -2.588 19642 1741 1 4 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.300 0.239 19642 1742 1 4 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.360 0.364 19642 1743 1 4 . 1 1 38 38 LYS CB C 38 32.875 32.875 30.927 1.948 19642 1744 1 4 . 1 1 38 38 LYS H H 38 8.246 8.246 8.621 -0.375 19642 1745 1 4 . 1 1 39 39 VAL N N 39 128.639 128.639 121.105 7.534 19642 1746 1 4 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.363 0.322 19642 1747 1 4 . 1 1 39 39 VAL CA C 39 62.816 62.816 63.616 -0.800 19642 1748 1 4 . 1 1 39 39 VAL CB C 39 32.992 32.992 31.735 1.257 19642 1749 1 4 . 1 1 39 39 VAL H H 39 9.126 9.126 7.653 1.473 19642 1750 1 4 . 1 1 40 40 ARG N N 40 129.292 129.292 128.170 1.122 19642 1751 1 4 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.250 0.029 19642 1752 1 4 . 1 1 40 40 ARG C C 40 175.643 175.643 176.248 -0.605 19642 1753 1 4 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.396 -1.062 19642 1754 1 4 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.448 0.212 19642 1755 1 4 . 1 1 40 40 ARG H H 40 9.573 9.573 8.475 1.098 19642 1756 1 4 . 1 1 41 41 ASP N N 41 116.255 116.255 115.689 0.566 19642 1757 1 4 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.820 0.020 19642 1758 1 4 . 1 1 41 41 ASP C C 41 173.674 173.674 173.991 -0.317 19642 1759 1 4 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.368 0.337 19642 1760 1 4 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.525 0.378 19642 1761 1 4 . 1 1 41 41 ASP H H 41 7.762 7.762 7.565 0.197 19642 1762 1 4 . 1 1 42 42 VAL N N 42 122.442 122.442 121.003 1.439 19642 1763 1 4 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.204 0.431 19642 1764 1 4 . 1 1 42 42 VAL C C 42 174.714 174.714 175.404 -0.690 19642 1765 1 4 . 1 1 42 42 VAL CA C 42 61.274 61.274 62.880 -1.606 19642 1766 1 4 . 1 1 42 42 VAL CB C 42 34.832 34.832 32.972 1.860 19642 1767 1 4 . 1 1 42 42 VAL H H 42 7.939 7.939 8.563 -0.624 19642 1768 1 4 . 1 1 43 43 ARG N N 43 126.687 126.687 125.071 1.616 19642 1769 1 4 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.682 0.083 19642 1770 1 4 . 1 1 43 43 ARG C C 43 175.278 175.278 174.436 0.842 19642 1771 1 4 . 1 1 43 43 ARG CA C 43 54.378 54.378 55.641 -1.263 19642 1772 1 4 . 1 1 43 43 ARG CB C 43 32.434 32.434 32.218 0.216 19642 1773 1 4 . 1 1 43 43 ARG H H 43 9.171 9.171 8.463 0.708 19642 1774 1 4 . 1 1 44 44 MET N N 44 123.092 123.092 122.838 0.254 19642 1775 1 4 . 1 1 44 44 MET HA H 44 4.906 4.906 4.884 0.022 19642 1776 1 4 . 1 1 44 44 MET C C 44 176.360 176.360 174.273 2.087 19642 1777 1 4 . 1 1 44 44 MET CA C 44 53.152 53.152 54.503 -1.351 19642 1778 1 4 . 1 1 44 44 MET CB C 44 32.940 32.940 36.688 -3.748 19642 1779 1 4 . 1 1 44 44 MET H H 44 8.939 8.939 8.225 0.714 19642 1780 1 4 . 1 1 45 45 ILE N N 45 124.146 124.146 120.030 4.116 19642 1781 1 4 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.474 -0.014 19642 1782 1 4 . 1 1 45 45 ILE C C 45 175.961 175.961 175.365 0.596 19642 1783 1 4 . 1 1 45 45 ILE CA C 45 59.947 59.947 61.361 -1.415 19642 1784 1 4 . 1 1 45 45 ILE CB C 45 38.193 38.193 39.117 -0.924 19642 1785 1 4 . 1 1 45 45 ILE H H 45 8.319 8.319 8.157 0.162 19642 1786 1 4 . 1 1 46 46 SER N N 46 121.541 121.541 119.983 1.558 19642 1787 1 4 . 1 1 46 46 SER HA H 46 4.709 4.709 4.596 0.113 19642 1788 1 4 . 1 1 46 46 SER C C 46 174.061 174.061 173.820 0.241 19642 1789 1 4 . 1 1 46 46 SER CA C 46 57.381 57.381 58.227 -0.846 19642 1790 1 4 . 1 1 46 46 SER CB C 46 64.273 64.273 64.265 0.008 19642 1791 1 4 . 1 1 46 46 SER H H 46 8.653 8.653 8.680 -0.027 19642 1792 1 4 . 1 1 47 47 ASP N N 47 123.132 123.132 122.679 0.453 19642 1793 1 4 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.700 -0.042 19642 1794 1 4 . 1 1 47 47 ASP C C 47 177.203 177.203 176.092 1.111 19642 1795 1 4 . 1 1 47 47 ASP CA C 47 53.662 53.662 55.139 -1.477 19642 1796 1 4 . 1 1 47 47 ASP CB C 47 41.920 41.920 39.797 2.123 19642 1797 1 4 . 1 1 47 47 ASP H H 47 8.598 8.598 8.407 0.191 19642 1798 1 4 . 1 1 48 48 ARG N N 48 122.881 122.881 120.975 1.906 19642 1799 1 4 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.362 -0.155 19642 1800 1 4 . 1 1 48 48 ARG C C 48 177.090 177.090 176.418 0.672 19642 1801 1 4 . 1 1 48 48 ARG CA C 48 57.206 57.206 56.497 0.709 19642 1802 1 4 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.970 -2.195 19642 1803 1 4 . 1 1 48 48 ARG H H 48 8.648 8.648 8.248 0.400 19642 1804 1 4 . 1 1 49 49 ASN N N 49 117.245 117.245 117.043 0.202 19642 1805 1 4 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.252 0.494 19642 1806 1 4 . 1 1 49 49 ASN C C 49 175.822 175.822 176.620 -0.798 19642 1807 1 4 . 1 1 49 49 ASN CA C 49 53.592 53.592 55.970 -2.378 19642 1808 1 4 . 1 1 49 49 ASN CB C 49 38.910 38.910 36.494 2.416 19642 1809 1 4 . 1 1 49 49 ASN H H 49 8.502 8.502 8.261 0.241 19642 1810 1 4 . 1 1 50 50 SER N N 50 114.891 114.891 118.591 -3.700 19642 1811 1 4 . 1 1 50 50 SER HA H 50 4.429 4.429 4.250 0.179 19642 1812 1 4 . 1 1 50 50 SER C C 50 175.339 175.339 174.614 0.725 19642 1813 1 4 . 1 1 50 50 SER CA C 50 58.396 58.396 60.436 -2.040 19642 1814 1 4 . 1 1 50 50 SER CB C 50 63.681 63.681 63.898 -0.217 19642 1815 1 4 . 1 1 50 50 SER H H 50 8.158 8.158 8.018 0.140 19642 1816 1 4 . 1 1 51 51 ARG N N 51 120.957 120.957 118.930 2.027 19642 1817 1 4 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.396 -0.107 19642 1818 1 4 . 1 1 51 51 ARG C C 51 176.845 176.845 174.279 2.566 19642 1819 1 4 . 1 1 51 51 ARG CA C 51 56.672 56.672 55.791 0.881 19642 1820 1 4 . 1 1 51 51 ARG CB C 51 29.620 29.620 31.248 -1.628 19642 1821 1 4 . 1 1 51 51 ARG H H 51 8.451 8.451 7.749 0.702 19642 1822 1 4 . 1 1 52 52 ARG N N 52 119.405 119.405 121.673 -2.268 19642 1823 1 4 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.708 -0.288 19642 1824 1 4 . 1 1 52 52 ARG CA C 52 55.765 55.765 54.815 0.950 19642 1825 1 4 . 1 1 52 52 ARG CB C 52 30.875 30.875 31.927 -1.052 19642 1826 1 4 . 1 1 52 52 ARG H H 52 8.159 8.159 8.519 -0.360 19642 1827 1 4 . 1 1 53 53 SER N N 53 116.328 116.328 117.587 -1.259 19642 1828 1 4 . 1 1 53 53 SER HA H 53 4.492 4.492 4.307 0.185 19642 1829 1 4 . 1 1 53 53 SER CA C 53 58.142 58.142 59.496 -1.354 19642 1830 1 4 . 1 1 53 53 SER CB C 53 63.447 63.447 63.192 0.255 19642 1831 1 4 . 1 1 53 53 SER H H 53 8.370 8.370 8.790 -0.420 19642 1832 1 4 . 1 1 54 54 LYS N N 54 122.099 122.099 117.814 4.285 19642 1833 1 4 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.049 0.450 19642 1834 1 4 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.157 -1.593 19642 1835 1 4 . 1 1 54 54 LYS CB C 54 33.079 33.079 30.520 2.559 19642 1836 1 4 . 1 1 54 54 LYS H H 54 8.374 8.374 8.369 0.005 19642 1837 1 4 . 1 1 55 55 GLY N N 55 109.513 109.513 104.707 4.806 19642 1838 1 4 . 1 1 55 55 GLY C C 55 172.962 172.962 171.964 0.998 19642 1839 1 4 . 1 1 55 55 GLY CA C 55 45.894 45.894 45.036 0.858 19642 1840 1 4 . 1 1 55 55 GLY H H 55 8.592 8.592 8.440 0.152 19642 1841 1 4 . 1 1 56 56 ILE N N 56 114.180 114.180 114.209 -0.029 19642 1842 1 4 . 1 1 56 56 ILE HA H 56 5.012 5.012 4.869 0.143 19642 1843 1 4 . 1 1 56 56 ILE C C 56 175.172 175.172 173.145 2.027 19642 1844 1 4 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.546 -0.815 19642 1845 1 4 . 1 1 56 56 ILE CB C 56 42.162 42.162 40.534 1.628 19642 1846 1 4 . 1 1 56 56 ILE H H 56 7.618 7.618 7.642 -0.024 19642 1847 1 4 . 1 1 57 57 ALA N N 57 121.556 121.556 127.912 -6.356 19642 1848 1 4 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.005 0.115 19642 1849 1 4 . 1 1 57 57 ALA C C 57 175.094 175.094 175.083 0.011 19642 1850 1 4 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.475 -0.776 19642 1851 1 4 . 1 1 57 57 ALA CB C 57 24.170 24.170 23.012 1.158 19642 1852 1 4 . 1 1 57 57 ALA H H 57 8.308 8.308 8.022 0.286 19642 1853 1 4 . 1 1 58 58 TYR N N 58 118.387 118.387 121.398 -3.011 19642 1854 1 4 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.481 0.000 19642 1855 1 4 . 1 1 58 58 TYR C C 58 175.537 175.537 175.526 0.011 19642 1856 1 4 . 1 1 58 58 TYR CA C 58 56.514 56.514 57.344 -0.830 19642 1857 1 4 . 1 1 58 58 TYR CB C 58 40.607 40.607 39.009 1.598 19642 1858 1 4 . 1 1 58 58 TYR H H 58 8.971 8.971 8.899 0.072 19642 1859 1 4 . 1 1 59 59 VAL N N 59 122.978 122.978 122.639 0.339 19642 1860 1 4 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.322 0.054 19642 1861 1 4 . 1 1 59 59 VAL C C 59 172.631 172.631 174.684 -2.053 19642 1862 1 4 . 1 1 59 59 VAL CA C 59 61.217 61.217 60.517 0.700 19642 1863 1 4 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.753 -1.178 19642 1864 1 4 . 1 1 59 59 VAL H H 59 8.828 8.828 8.690 0.138 19642 1865 1 4 . 1 1 60 60 GLU N N 60 128.557 128.557 128.072 0.485 19642 1866 1 4 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.706 0.145 19642 1867 1 4 . 1 1 60 60 GLU C C 60 176.210 176.210 175.683 0.527 19642 1868 1 4 . 1 1 60 60 GLU CA C 60 53.842 53.842 54.575 -0.733 19642 1869 1 4 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.343 2.760 19642 1870 1 4 . 1 1 60 60 GLU H H 60 8.774 8.774 8.568 0.206 19642 1871 1 4 . 1 1 61 61 PHE N N 61 126.659 126.659 124.243 2.416 19642 1872 1 4 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.243 0.673 19642 1873 1 4 . 1 1 61 61 PHE C C 61 176.011 176.011 175.917 0.094 19642 1874 1 4 . 1 1 61 61 PHE CA C 61 58.586 58.586 60.298 -1.712 19642 1875 1 4 . 1 1 61 61 PHE CB C 61 41.038 41.038 39.905 1.133 19642 1876 1 4 . 1 1 61 61 PHE H H 61 9.340 9.340 8.033 1.307 19642 1877 1 4 . 1 1 62 62 VAL N N 62 118.280 118.280 113.260 5.020 19642 1878 1 4 . 1 1 62 62 VAL HA H 62 3.743 3.743 4.219 -0.476 19642 1879 1 4 . 1 1 62 62 VAL C C 62 176.097 176.097 175.506 0.591 19642 1880 1 4 . 1 1 62 62 VAL CA C 62 65.785 65.785 63.534 2.251 19642 1881 1 4 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.413 0.398 19642 1882 1 4 . 1 1 62 62 VAL H H 62 8.184 8.184 8.754 -0.570 19642 1883 1 4 . 1 1 63 63 ASP N N 63 118.269 118.269 119.115 -0.846 19642 1884 1 4 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.946 0.246 19642 1885 1 4 . 1 1 63 63 ASP C C 63 176.648 176.648 175.821 0.827 19642 1886 1 4 . 1 1 63 63 ASP CA C 63 52.639 52.639 53.190 -0.551 19642 1887 1 4 . 1 1 63 63 ASP CB C 63 44.569 44.569 44.701 -0.132 19642 1888 1 4 . 1 1 63 63 ASP H H 63 8.708 8.708 7.970 0.738 19642 1889 1 4 . 1 1 64 64 VAL N N 64 121.961 121.961 123.452 -1.491 19642 1890 1 4 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.829 -0.018 19642 1891 1 4 . 1 1 64 64 VAL C C 64 178.439 178.439 176.557 1.882 19642 1892 1 4 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.417 0.402 19642 1893 1 4 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.391 -0.341 19642 1894 1 4 . 1 1 64 64 VAL H H 64 8.609 8.609 8.492 0.117 19642 1895 1 4 . 1 1 65 65 SER N N 65 115.305 115.305 114.573 0.732 19642 1896 1 4 . 1 1 65 65 SER HA H 65 4.143 4.143 4.206 -0.063 19642 1897 1 4 . 1 1 65 65 SER C C 65 176.285 176.285 175.984 0.301 19642 1898 1 4 . 1 1 65 65 SER CA C 65 60.158 60.158 60.791 -0.633 19642 1899 1 4 . 1 1 65 65 SER CB C 65 62.066 62.066 62.608 -0.542 19642 1900 1 4 . 1 1 65 65 SER H H 65 8.492 8.492 8.175 0.317 19642 1901 1 4 . 1 1 66 66 SER N N 66 116.053 116.053 117.829 -1.776 19642 1902 1 4 . 1 1 66 66 SER HA H 66 4.024 4.024 3.894 0.130 19642 1903 1 4 . 1 1 66 66 SER C C 66 174.528 174.528 175.354 -0.826 19642 1904 1 4 . 1 1 66 66 SER CA C 66 60.749 60.749 60.304 0.445 19642 1905 1 4 . 1 1 66 66 SER CB C 66 63.063 63.063 62.177 0.886 19642 1906 1 4 . 1 1 66 66 SER H H 66 7.414 7.414 7.254 0.160 19642 1907 1 4 . 1 1 67 67 VAL N N 67 119.830 119.830 122.400 -2.570 19642 1908 1 4 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.771 -0.451 19642 1909 1 4 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.561 0.477 19642 1910 1 4 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.730 -0.532 19642 1911 1 4 . 1 1 67 67 VAL H H 67 7.611 7.611 7.256 0.355 19642 1912 1 4 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.274 -0.009 19642 1913 1 4 . 1 1 68 68 PRO C C 68 180.457 180.457 178.065 2.392 19642 1914 1 4 . 1 1 68 68 PRO CA C 68 65.072 65.072 64.930 0.142 19642 1915 1 4 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.334 -0.596 19642 1916 1 4 . 1 1 69 69 LEU N N 69 115.334 115.334 120.293 -4.959 19642 1917 1 4 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.962 0.137 19642 1918 1 4 . 1 1 69 69 LEU C C 69 179.450 179.450 178.712 0.738 19642 1919 1 4 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.385 -0.943 19642 1920 1 4 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.582 -0.460 19642 1921 1 4 . 1 1 69 69 LEU H H 69 6.284 6.284 7.278 -0.994 19642 1922 1 4 . 1 1 70 70 ALA N N 70 122.703 122.703 121.672 1.031 19642 1923 1 4 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.036 0.139 19642 1924 1 4 . 1 1 70 70 ALA C C 70 180.611 180.611 179.914 0.697 19642 1925 1 4 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.957 -0.062 19642 1926 1 4 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.878 1.667 19642 1927 1 4 . 1 1 70 70 ALA H H 70 8.342 8.342 7.545 0.797 19642 1928 1 4 . 1 1 71 71 ILE N N 71 118.692 118.692 117.850 0.842 19642 1929 1 4 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.669 0.596 19642 1930 1 4 . 1 1 71 71 ILE C C 71 179.971 179.971 178.328 1.643 19642 1931 1 4 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.456 0.661 19642 1932 1 4 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.384 1.216 19642 1933 1 4 . 1 1 71 71 ILE H H 71 8.255 8.255 7.678 0.577 19642 1934 1 4 . 1 1 72 72 GLY N N 72 106.417 106.417 107.373 -0.956 19642 1935 1 4 . 1 1 72 72 GLY C C 72 174.590 174.590 175.299 -0.709 19642 1936 1 4 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.864 -0.973 19642 1937 1 4 . 1 1 72 72 GLY H H 72 7.635 7.635 7.928 -0.293 19642 1938 1 4 . 1 1 73 73 LEU N N 73 120.383 120.383 118.637 1.746 19642 1939 1 4 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.738 -0.327 19642 1940 1 4 . 1 1 73 73 LEU C C 73 176.338 176.338 178.048 -1.710 19642 1941 1 4 . 1 1 73 73 LEU CA C 73 54.949 54.949 53.512 1.437 19642 1942 1 4 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.978 -1.385 19642 1943 1 4 . 1 1 73 73 LEU H H 73 7.767 7.767 7.815 -0.048 19642 1944 1 4 . 1 1 74 74 THR N N 74 115.157 115.157 117.043 -1.886 19642 1945 1 4 . 1 1 74 74 THR HA H 74 4.060 4.060 4.116 -0.056 19642 1946 1 4 . 1 1 74 74 THR C C 74 175.656 175.656 176.551 -0.895 19642 1947 1 4 . 1 1 74 74 THR CA C 74 66.177 66.177 66.705 -0.528 19642 1948 1 4 . 1 1 74 74 THR CB C 74 69.821 69.821 68.640 1.181 19642 1949 1 4 . 1 1 74 74 THR H H 74 7.731 7.731 7.528 0.203 19642 1950 1 4 . 1 1 75 75 GLY N N 75 117.587 117.587 107.318 10.269 19642 1951 1 4 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.806 -0.181 19642 1952 1 4 . 1 1 75 75 GLY H H 75 9.519 9.519 8.509 1.010 19642 1953 1 4 . 1 1 76 76 GLN N N 76 120.027 120.027 119.541 0.486 19642 1954 1 4 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.373 -0.059 19642 1955 1 4 . 1 1 76 76 GLN C C 76 175.015 175.015 174.733 0.282 19642 1956 1 4 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.903 -0.084 19642 1957 1 4 . 1 1 76 76 GLN CB C 76 28.220 28.220 29.922 -1.702 19642 1958 1 4 . 1 1 76 76 GLN H H 76 8.319 8.319 7.906 0.413 19642 1959 1 4 . 1 1 77 77 ARG N N 77 118.759 118.759 117.412 1.347 19642 1960 1 4 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.615 -0.484 19642 1961 1 4 . 1 1 77 77 ARG C C 77 176.209 176.209 175.668 0.541 19642 1962 1 4 . 1 1 77 77 ARG CA C 77 56.091 56.091 54.899 1.192 19642 1963 1 4 . 1 1 77 77 ARG CB C 77 31.364 31.364 31.690 -0.326 19642 1964 1 4 . 1 1 77 77 ARG H H 77 8.544 8.544 8.413 0.131 19642 1965 1 4 . 1 1 78 78 VAL N N 78 123.886 123.886 119.920 3.966 19642 1966 1 4 . 1 1 78 78 VAL HA H 78 3.835 3.835 4.244 -0.409 19642 1967 1 4 . 1 1 78 78 VAL C C 78 176.570 176.570 175.881 0.689 19642 1968 1 4 . 1 1 78 78 VAL CA C 78 61.470 61.470 61.984 -0.514 19642 1969 1 4 . 1 1 78 78 VAL CB C 78 32.202 32.202 32.045 0.157 19642 1970 1 4 . 1 1 78 78 VAL H H 78 8.015 8.015 7.834 0.181 19642 1971 1 4 . 1 1 79 79 LEU N N 79 129.331 129.331 125.079 4.252 19642 1972 1 4 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.987 -0.155 19642 1973 1 4 . 1 1 79 79 LEU CA C 79 55.773 55.773 54.950 0.823 19642 1974 1 4 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.215 0.326 19642 1975 1 4 . 1 1 79 79 LEU H H 79 9.570 9.570 9.103 0.467 19642 1976 1 4 . 1 1 80 80 GLY N N 80 100.301 100.301 104.150 -3.849 19642 1977 1 4 . 1 1 80 80 GLY CA C 80 45.229 45.229 45.113 0.116 19642 1978 1 4 . 1 1 80 80 GLY H H 80 8.316 8.316 8.114 0.202 19642 1979 1 4 . 1 1 81 81 VAL N N 81 122.763 122.763 120.241 2.522 19642 1980 1 4 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.445 0.192 19642 1981 1 4 . 1 1 81 81 VAL CA C 81 59.355 59.355 59.082 0.273 19642 1982 1 4 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.927 2.970 19642 1983 1 4 . 1 1 81 81 VAL H H 81 7.632 7.632 7.755 -0.123 19642 1984 1 4 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.805 -0.473 19642 1985 1 4 . 1 1 82 82 PRO C C 82 175.005 175.005 175.812 -0.807 19642 1986 1 4 . 1 1 82 82 PRO CA C 82 62.503 62.503 61.402 1.101 19642 1987 1 4 . 1 1 82 82 PRO CB C 82 31.280 31.280 33.279 -2.000 19642 1988 1 4 . 1 1 83 83 ILE N N 83 126.022 126.022 117.051 8.971 19642 1989 1 4 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.460 0.166 19642 1990 1 4 . 1 1 83 83 ILE C C 83 175.679 175.679 174.325 1.354 19642 1991 1 4 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.963 2.006 19642 1992 1 4 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.585 -0.672 19642 1993 1 4 . 1 1 83 83 ILE H H 83 8.391 8.391 7.522 0.869 19642 1994 1 4 . 1 1 84 84 ILE N N 84 125.284 125.284 124.417 0.867 19642 1995 1 4 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.407 0.026 19642 1996 1 4 . 1 1 84 84 ILE C C 84 174.418 174.418 176.908 -2.490 19642 1997 1 4 . 1 1 84 84 ILE CA C 84 61.313 61.313 60.409 0.904 19642 1998 1 4 . 1 1 84 84 ILE CB C 84 39.900 39.900 39.153 0.747 19642 1999 1 4 . 1 1 84 84 ILE H H 84 7.842 7.842 8.573 -0.731 19642 2000 1 4 . 1 1 85 85 VAL N N 85 128.143 128.143 125.371 2.772 19642 2001 1 4 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.682 -0.065 19642 2002 1 4 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.555 0.332 19642 2003 1 4 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.806 2.263 19642 2004 1 4 . 1 1 85 85 VAL H H 85 8.400 8.400 8.811 -0.411 19642 2005 1 4 . 1 1 86 86 GLN N N 86 122.965 122.965 118.037 4.928 19642 2006 1 4 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.154 0.749 19642 2007 1 4 . 1 1 86 86 GLN C C 86 175.590 175.590 176.376 -0.786 19642 2008 1 4 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.336 3.420 19642 2009 1 4 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.927 5.086 19642 2010 1 4 . 1 1 86 86 GLN H H 86 9.242 9.242 7.881 1.361 19642 2011 1 4 . 1 1 87 87 ALA N N 87 123.174 123.174 118.896 4.278 19642 2012 1 4 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.091 0.265 19642 2013 1 4 . 1 1 87 87 ALA C C 87 178.095 178.095 177.118 0.977 19642 2014 1 4 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.413 0.412 19642 2015 1 4 . 1 1 87 87 ALA CB C 87 18.534 18.534 17.900 0.634 19642 2016 1 4 . 1 1 87 87 ALA H H 87 8.907 8.907 8.313 0.594 19642 2017 1 4 . 1 1 88 88 SER N N 88 114.952 114.952 112.196 2.756 19642 2018 1 4 . 1 1 88 88 SER HA H 88 4.294 4.294 4.177 0.117 19642 2019 1 4 . 1 1 88 88 SER C C 88 175.470 175.470 173.918 1.552 19642 2020 1 4 . 1 1 88 88 SER CA C 88 59.617 59.617 59.380 0.237 19642 2021 1 4 . 1 1 88 88 SER CB C 88 63.409 63.409 63.279 0.130 19642 2022 1 4 . 1 1 88 88 SER H H 88 8.343 8.343 8.395 -0.052 19642 2023 1 4 . 1 1 89 89 GLN N N 89 121.151 121.151 122.567 -1.416 19642 2024 1 4 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.243 0.070 19642 2025 1 4 . 1 1 89 89 GLN C C 89 175.838 175.838 174.583 1.255 19642 2026 1 4 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.517 -1.230 19642 2027 1 4 . 1 1 89 89 GLN CB C 89 29.333 29.333 28.899 0.434 19642 2028 1 4 . 1 1 89 89 GLN H H 89 8.348 8.348 8.552 -0.204 19642 2029 1 4 . 1 1 90 90 ALA N N 90 124.942 124.942 124.588 0.354 19642 2030 1 4 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.777 -0.574 19642 2031 1 4 . 1 1 90 90 ALA C C 90 178.381 178.381 176.788 1.593 19642 2032 1 4 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.436 1.326 19642 2033 1 4 . 1 1 90 90 ALA CB C 90 19.071 19.071 21.840 -2.769 19642 2034 1 4 . 1 1 90 90 ALA H H 90 8.245 8.245 8.010 0.235 19642 2035 1 4 . 1 1 91 91 GLU N N 91 119.604 119.604 122.529 -2.925 19642 2036 1 4 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.277 -0.124 19642 2037 1 4 . 1 1 91 91 GLU C C 91 176.986 176.986 175.216 1.770 19642 2038 1 4 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.524 0.011 19642 2039 1 4 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.167 1.862 19642 2040 1 4 . 1 1 91 91 GLU H H 91 8.414 8.414 8.852 -0.438 19642 2041 1 4 . 1 1 92 92 LYS N N 92 121.284 121.284 121.421 -0.137 19642 2042 1 4 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.348 -0.058 19642 2043 1 4 . 1 1 92 92 LYS C C 92 176.699 176.699 174.705 1.994 19642 2044 1 4 . 1 1 92 92 LYS CA C 92 56.042 56.042 54.972 1.070 19642 2045 1 4 . 1 1 92 92 LYS CB C 92 32.705 32.705 34.336 -1.631 19642 2046 1 4 . 1 1 92 92 LYS H H 92 8.212 8.212 7.978 0.234 19642 2047 1 4 . 1 1 93 93 ASN N N 93 119.221 119.221 118.203 1.018 19642 2048 1 4 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.845 -0.145 19642 2049 1 4 . 1 1 93 93 ASN C C 93 174.424 174.424 174.367 0.057 19642 2050 1 4 . 1 1 93 93 ASN CA C 93 53.110 53.110 52.940 0.170 19642 2051 1 4 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.926 -0.200 19642 2052 1 4 . 1 1 93 93 ASN H H 93 8.370 8.370 8.438 -0.068 19642 2053 1 5 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.283 0.410 19642 2054 1 5 . 1 1 2 2 HIS C C 2 175.244 175.244 175.399 -0.155 19642 2055 1 5 . 1 1 2 2 HIS CA C 2 55.849 55.849 57.956 -2.107 19642 2056 1 5 . 1 1 2 2 HIS CB C 2 30.165 30.165 29.333 0.832 19642 2057 1 5 . 1 1 3 3 MET HA H 3 4.464 4.464 3.994 0.470 19642 2058 1 5 . 1 1 3 3 MET C C 3 175.896 175.896 175.060 0.836 19642 2059 1 5 . 1 1 3 3 MET CA C 3 55.188 55.188 55.927 -0.739 19642 2060 1 5 . 1 1 3 3 MET CB C 3 32.736 32.736 31.059 1.677 19642 2061 1 5 . 1 1 4 4 ASN N N 4 120.610 120.610 118.030 2.580 19642 2062 1 5 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.917 -0.165 19642 2063 1 5 . 1 1 4 4 ASN C C 4 175.033 175.033 173.712 1.321 19642 2064 1 5 . 1 1 4 4 ASN CA C 4 52.728 52.728 52.244 0.484 19642 2065 1 5 . 1 1 4 4 ASN CB C 4 38.604 38.604 40.641 -2.037 19642 2066 1 5 . 1 1 4 4 ASN H H 4 8.564 8.564 8.080 0.484 19642 2067 1 5 . 1 1 5 5 LEU N N 5 122.314 122.314 124.061 -1.747 19642 2068 1 5 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.486 0.124 19642 2069 1 5 . 1 1 5 5 LEU C C 5 178.178 178.178 176.612 1.566 19642 2070 1 5 . 1 1 5 5 LEU CA C 5 54.305 54.305 55.000 -0.695 19642 2071 1 5 . 1 1 5 5 LEU CB C 5 43.343 43.343 40.942 2.401 19642 2072 1 5 . 1 1 5 5 LEU H H 5 8.046 8.046 8.516 -0.470 19642 2073 1 5 . 1 1 6 6 THR N N 6 115.483 115.483 119.842 -4.359 19642 2074 1 5 . 1 1 6 6 THR HA H 6 4.626 4.626 4.478 0.148 19642 2075 1 5 . 1 1 6 6 THR CA C 6 60.039 60.039 60.201 -0.162 19642 2076 1 5 . 1 1 6 6 THR CB C 6 68.119 68.119 68.347 -0.228 19642 2077 1 5 . 1 1 6 6 THR H H 6 8.948 8.948 8.163 0.785 19642 2078 1 5 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.153 -0.010 19642 2079 1 5 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.724 -0.151 19642 2080 1 5 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.919 -0.279 19642 2081 1 5 . 1 1 8 8 GLU N N 8 116.691 116.691 117.740 -1.049 19642 2082 1 5 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.045 0.066 19642 2083 1 5 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.799 -0.227 19642 2084 1 5 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.203 -0.314 19642 2085 1 5 . 1 1 8 8 GLU H H 8 8.753 8.753 8.829 -0.076 19642 2086 1 5 . 1 1 9 9 GLU N N 9 121.235 121.235 118.015 3.220 19642 2087 1 5 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.074 -0.033 19642 2088 1 5 . 1 1 9 9 GLU C C 9 180.194 180.194 178.520 1.674 19642 2089 1 5 . 1 1 9 9 GLU CA C 9 58.527 58.527 58.796 -0.269 19642 2090 1 5 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.436 1.130 19642 2091 1 5 . 1 1 9 9 GLU H H 9 7.823 7.823 8.013 -0.190 19642 2092 1 5 . 1 1 10 10 ARG N N 10 120.373 120.373 118.990 1.383 19642 2093 1 5 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.147 -0.260 19642 2094 1 5 . 1 1 10 10 ARG C C 10 180.714 180.714 178.786 1.928 19642 2095 1 5 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.932 0.853 19642 2096 1 5 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.486 -0.615 19642 2097 1 5 . 1 1 10 10 ARG H H 10 8.363 8.363 7.671 0.692 19642 2098 1 5 . 1 1 11 11 ASP N N 11 123.103 123.103 119.167 3.936 19642 2099 1 5 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.568 -0.254 19642 2100 1 5 . 1 1 11 11 ASP C C 11 179.081 179.081 177.205 1.876 19642 2101 1 5 . 1 1 11 11 ASP CA C 11 57.683 57.683 55.907 1.776 19642 2102 1 5 . 1 1 11 11 ASP CB C 11 40.022 40.022 40.974 -0.952 19642 2103 1 5 . 1 1 11 11 ASP H H 11 8.709 8.709 7.766 0.943 19642 2104 1 5 . 1 1 12 12 ALA N N 12 119.926 119.926 120.238 -0.312 19642 2105 1 5 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.313 -0.070 19642 2106 1 5 . 1 1 12 12 ALA C C 12 177.593 177.593 178.707 -1.114 19642 2107 1 5 . 1 1 12 12 ALA CA C 12 53.808 53.808 52.622 1.186 19642 2108 1 5 . 1 1 12 12 ALA CB C 12 18.341 18.341 18.760 -0.419 19642 2109 1 5 . 1 1 12 12 ALA H H 12 7.615 7.615 7.617 -0.002 19642 2110 1 5 . 1 1 13 13 ARG N N 13 113.504 113.504 118.675 -5.171 19642 2111 1 5 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.171 0.256 19642 2112 1 5 . 1 1 13 13 ARG C C 13 174.905 174.905 175.118 -0.213 19642 2113 1 5 . 1 1 13 13 ARG CA C 13 55.588 55.588 57.188 -1.599 19642 2114 1 5 . 1 1 13 13 ARG CB C 13 30.789 30.789 30.069 0.720 19642 2115 1 5 . 1 1 13 13 ARG H H 13 7.204 7.204 7.707 -0.502 19642 2116 1 5 . 1 1 14 14 THR N N 14 117.103 117.103 113.789 3.314 19642 2117 1 5 . 1 1 14 14 THR HA H 14 5.589 5.589 5.232 0.357 19642 2118 1 5 . 1 1 14 14 THR C C 14 174.610 174.610 173.270 1.340 19642 2119 1 5 . 1 1 14 14 THR CA C 14 61.993 61.993 61.534 0.459 19642 2120 1 5 . 1 1 14 14 THR CB C 14 70.185 70.185 72.447 -2.262 19642 2121 1 5 . 1 1 14 14 THR H H 14 7.685 7.685 7.452 0.233 19642 2122 1 5 . 1 1 15 15 VAL N N 15 117.127 117.127 120.020 -2.893 19642 2123 1 5 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.714 0.366 19642 2124 1 5 . 1 1 15 15 VAL C C 15 173.786 173.786 174.293 -0.507 19642 2125 1 5 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.431 -1.846 19642 2126 1 5 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.287 0.536 19642 2127 1 5 . 1 1 15 15 VAL H H 15 9.154 9.154 8.845 0.309 19642 2128 1 5 . 1 1 16 16 PHE N N 16 122.697 122.697 129.361 -6.664 19642 2129 1 5 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.652 0.531 19642 2130 1 5 . 1 1 16 16 PHE C C 16 174.520 174.520 174.669 -0.149 19642 2131 1 5 . 1 1 16 16 PHE CA C 16 54.981 54.981 56.243 -1.262 19642 2132 1 5 . 1 1 16 16 PHE CB C 16 42.266 42.266 39.098 3.168 19642 2133 1 5 . 1 1 16 16 PHE H H 16 9.359 9.359 8.824 0.535 19642 2134 1 5 . 1 1 17 17 CYS N N 17 122.356 122.356 127.108 -4.752 19642 2135 1 5 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.443 1.124 19642 2136 1 5 . 1 1 17 17 CYS C C 17 173.018 173.018 172.559 0.459 19642 2137 1 5 . 1 1 17 17 CYS CA C 17 55.708 55.708 57.490 -1.782 19642 2138 1 5 . 1 1 17 17 CYS CB C 17 30.776 30.776 30.057 0.719 19642 2139 1 5 . 1 1 17 17 CYS H H 17 8.931 8.931 8.698 0.233 19642 2140 1 5 . 1 1 18 18 MET N N 18 117.884 117.884 122.468 -4.584 19642 2141 1 5 . 1 1 18 18 MET HA H 18 4.846 4.846 5.088 -0.242 19642 2142 1 5 . 1 1 18 18 MET C C 18 173.706 173.706 175.259 -1.553 19642 2143 1 5 . 1 1 18 18 MET CA C 18 53.623 53.623 53.697 -0.074 19642 2144 1 5 . 1 1 18 18 MET CB C 18 31.772 31.772 36.667 -4.895 19642 2145 1 5 . 1 1 18 18 MET H H 18 8.818 8.818 8.374 0.444 19642 2146 1 5 . 1 1 19 19 GLN N N 19 115.022 115.022 116.812 -1.790 19642 2147 1 5 . 1 1 19 19 GLN HA H 19 3.698 3.698 3.892 -0.194 19642 2148 1 5 . 1 1 19 19 GLN C C 19 173.403 173.403 173.916 -0.513 19642 2149 1 5 . 1 1 19 19 GLN CA C 19 57.009 57.009 56.798 0.211 19642 2150 1 5 . 1 1 19 19 GLN CB C 19 27.922 27.922 28.263 -0.341 19642 2151 1 5 . 1 1 19 19 GLN H H 19 8.463 8.463 8.412 0.051 19642 2152 1 5 . 1 1 20 20 LEU N N 20 116.032 116.032 118.271 -2.239 19642 2153 1 5 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.221 0.033 19642 2154 1 5 . 1 1 20 20 LEU C C 20 177.827 177.827 177.586 0.241 19642 2155 1 5 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.834 -2.239 19642 2156 1 5 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.354 0.904 19642 2157 1 5 . 1 1 20 20 LEU H H 20 7.685 7.685 7.192 0.493 19642 2158 1 5 . 1 1 21 21 ALA N N 21 125.644 125.644 121.128 4.516 19642 2159 1 5 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.273 -0.128 19642 2160 1 5 . 1 1 21 21 ALA C C 21 178.868 178.868 178.286 0.582 19642 2161 1 5 . 1 1 21 21 ALA CA C 21 51.661 51.661 52.400 -0.739 19642 2162 1 5 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.949 -0.595 19642 2163 1 5 . 1 1 21 21 ALA H H 21 9.473 9.473 8.157 1.316 19642 2164 1 5 . 1 1 22 22 ALA N N 22 124.495 124.495 123.625 0.870 19642 2165 1 5 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.182 -0.073 19642 2166 1 5 . 1 1 22 22 ALA C C 22 179.705 179.705 177.906 1.799 19642 2167 1 5 . 1 1 22 22 ALA CA C 22 54.560 54.560 53.823 0.737 19642 2168 1 5 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.656 -0.298 19642 2169 1 5 . 1 1 22 22 ALA H H 22 8.583 8.583 8.595 -0.012 19642 2170 1 5 . 1 1 23 23 ARG N N 23 111.716 111.716 117.650 -5.934 19642 2171 1 5 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.494 -0.126 19642 2172 1 5 . 1 1 23 23 ARG C C 23 176.243 176.243 175.296 0.947 19642 2173 1 5 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.204 -0.068 19642 2174 1 5 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.224 -1.063 19642 2175 1 5 . 1 1 23 23 ARG H H 23 7.905 7.905 7.972 -0.067 19642 2176 1 5 . 1 1 24 24 ILE N N 24 121.734 121.734 121.514 0.220 19642 2177 1 5 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.009 -0.117 19642 2178 1 5 . 1 1 24 24 ILE C C 24 173.297 173.297 176.537 -3.240 19642 2179 1 5 . 1 1 24 24 ILE CA C 24 61.336 61.336 61.297 0.039 19642 2180 1 5 . 1 1 24 24 ILE CB C 24 38.751 38.751 39.010 -0.259 19642 2181 1 5 . 1 1 24 24 ILE H H 24 7.270 7.270 7.597 -0.327 19642 2182 1 5 . 1 1 25 25 ARG N N 25 125.810 125.810 129.401 -3.591 19642 2183 1 5 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.604 0.351 19642 2184 1 5 . 1 1 25 25 ARG CA C 25 52.417 52.417 54.398 -1.981 19642 2185 1 5 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.422 0.542 19642 2186 1 5 . 1 1 25 25 ARG H H 25 8.994 8.994 8.309 0.685 19642 2187 1 5 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.394 -0.334 19642 2188 1 5 . 1 1 26 26 PRO CA C 26 66.672 66.672 64.715 1.957 19642 2189 1 5 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.036 -0.576 19642 2190 1 5 . 1 1 27 27 ARG N N 27 114.118 114.118 117.817 -3.699 19642 2191 1 5 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.442 -0.202 19642 2192 1 5 . 1 1 27 27 ARG C C 27 178.376 178.376 176.896 1.480 19642 2193 1 5 . 1 1 27 27 ARG CA C 27 58.115 58.115 56.709 1.406 19642 2194 1 5 . 1 1 27 27 ARG CB C 27 29.541 29.541 30.673 -1.132 19642 2195 1 5 . 1 1 27 27 ARG H H 27 8.362 8.362 7.992 0.370 19642 2196 1 5 . 1 1 28 28 ASP N N 28 116.954 116.954 122.045 -5.091 19642 2197 1 5 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.460 0.001 19642 2198 1 5 . 1 1 28 28 ASP C C 28 180.328 180.328 178.135 2.193 19642 2199 1 5 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.220 0.307 19642 2200 1 5 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.468 1.096 19642 2201 1 5 . 1 1 28 28 ASP H H 28 7.688 7.688 8.034 -0.346 19642 2202 1 5 . 1 1 29 29 LEU N N 29 117.931 117.931 118.636 -0.705 19642 2203 1 5 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.009 0.308 19642 2204 1 5 . 1 1 29 29 LEU C C 29 178.541 178.541 178.458 0.083 19642 2205 1 5 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.738 -0.889 19642 2206 1 5 . 1 1 29 29 LEU CB C 29 41.772 41.772 40.861 0.911 19642 2207 1 5 . 1 1 29 29 LEU H H 29 7.173 7.173 7.773 -0.600 19642 2208 1 5 . 1 1 30 30 GLU N N 30 121.321 121.321 117.462 3.859 19642 2209 1 5 . 1 1 30 30 GLU HA H 30 3.788 3.788 3.897 -0.109 19642 2210 1 5 . 1 1 30 30 GLU C C 30 179.497 179.497 178.386 1.111 19642 2211 1 5 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.295 1.004 19642 2212 1 5 . 1 1 30 30 GLU CB C 30 29.672 29.672 28.810 0.862 19642 2213 1 5 . 1 1 30 30 GLU H H 30 8.632 8.632 8.575 0.057 19642 2214 1 5 . 1 1 31 31 GLU N N 31 118.162 118.162 118.846 -0.684 19642 2215 1 5 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.109 -0.042 19642 2216 1 5 . 1 1 31 31 GLU C C 31 179.635 179.635 178.126 1.509 19642 2217 1 5 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.275 1.082 19642 2218 1 5 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.154 0.342 19642 2219 1 5 . 1 1 31 31 GLU H H 31 8.405 8.405 7.603 0.802 19642 2220 1 5 . 1 1 32 32 PHE N N 32 120.127 120.127 120.046 0.081 19642 2221 1 5 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.176 0.177 19642 2222 1 5 . 1 1 32 32 PHE C C 32 177.183 177.183 177.601 -0.418 19642 2223 1 5 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.925 0.016 19642 2224 1 5 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.849 1.073 19642 2225 1 5 . 1 1 32 32 PHE H H 32 7.767 7.767 7.455 0.312 19642 2226 1 5 . 1 1 33 33 PHE N N 33 112.879 112.879 117.116 -4.237 19642 2227 1 5 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.072 0.179 19642 2228 1 5 . 1 1 33 33 PHE C C 33 177.304 177.304 177.957 -0.653 19642 2229 1 5 . 1 1 33 33 PHE CA C 33 61.179 61.179 58.224 2.955 19642 2230 1 5 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.059 0.521 19642 2231 1 5 . 1 1 33 33 PHE H H 33 8.489 8.489 7.165 1.324 19642 2232 1 5 . 1 1 34 34 SER N N 34 115.870 115.870 114.550 1.320 19642 2233 1 5 . 1 1 34 34 SER HA H 34 5.119 5.119 4.454 0.665 19642 2234 1 5 . 1 1 34 34 SER C C 34 175.464 175.464 176.294 -0.830 19642 2235 1 5 . 1 1 34 34 SER CA C 34 61.268 61.268 60.716 0.552 19642 2236 1 5 . 1 1 34 34 SER CB C 34 62.915 62.915 62.963 -0.048 19642 2237 1 5 . 1 1 34 34 SER H H 34 7.997 7.997 8.296 -0.299 19642 2238 1 5 . 1 1 35 35 THR N N 35 110.934 110.934 115.635 -4.701 19642 2239 1 5 . 1 1 35 35 THR HA H 35 4.147 4.147 4.295 -0.148 19642 2240 1 5 . 1 1 35 35 THR C C 35 176.410 176.410 175.579 0.831 19642 2241 1 5 . 1 1 35 35 THR CA C 35 63.756 63.756 64.219 -0.463 19642 2242 1 5 . 1 1 35 35 THR CB C 35 68.802 68.802 68.996 -0.194 19642 2243 1 5 . 1 1 35 35 THR H H 35 7.188 7.188 7.663 -0.475 19642 2244 1 5 . 1 1 36 36 VAL N N 36 111.644 111.644 114.449 -2.805 19642 2245 1 5 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.665 -0.042 19642 2246 1 5 . 1 1 36 36 VAL C C 36 176.046 176.046 174.876 1.170 19642 2247 1 5 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.091 -0.619 19642 2248 1 5 . 1 1 36 36 VAL CB C 36 32.425 32.425 33.736 -1.311 19642 2249 1 5 . 1 1 36 36 VAL H H 36 7.665 7.665 7.783 -0.118 19642 2250 1 5 . 1 1 37 37 GLY N N 37 109.343 109.343 107.798 1.545 19642 2251 1 5 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.002 0.267 19642 2252 1 5 . 1 1 37 37 GLY H H 37 7.640 7.640 7.268 0.372 19642 2253 1 5 . 1 1 38 38 LYS N N 38 117.953 117.953 120.531 -2.578 19642 2254 1 5 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.603 -0.064 19642 2255 1 5 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.744 -0.020 19642 2256 1 5 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.191 -2.317 19642 2257 1 5 . 1 1 38 38 LYS H H 38 8.246 8.246 8.434 -0.188 19642 2258 1 5 . 1 1 39 39 VAL N N 39 128.639 128.639 125.394 3.245 19642 2259 1 5 . 1 1 39 39 VAL HA H 39 3.685 3.685 4.442 -0.757 19642 2260 1 5 . 1 1 39 39 VAL CA C 39 62.816 62.816 61.669 1.147 19642 2261 1 5 . 1 1 39 39 VAL CB C 39 32.992 32.992 33.891 -0.899 19642 2262 1 5 . 1 1 39 39 VAL H H 39 9.126 9.126 8.379 0.747 19642 2263 1 5 . 1 1 40 40 ARG N N 40 129.292 129.292 128.708 0.584 19642 2264 1 5 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.487 -0.208 19642 2265 1 5 . 1 1 40 40 ARG C C 40 175.643 175.643 175.450 0.193 19642 2266 1 5 . 1 1 40 40 ARG CA C 40 56.334 56.334 56.471 -0.137 19642 2267 1 5 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.907 -0.247 19642 2268 1 5 . 1 1 40 40 ARG H H 40 9.573 9.573 8.976 0.597 19642 2269 1 5 . 1 1 41 41 ASP N N 41 116.255 116.255 116.255 0.000 19642 2270 1 5 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.722 0.118 19642 2271 1 5 . 1 1 41 41 ASP C C 41 173.674 173.674 173.607 0.067 19642 2272 1 5 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.653 0.052 19642 2273 1 5 . 1 1 41 41 ASP CB C 41 44.903 44.903 43.818 1.085 19642 2274 1 5 . 1 1 41 41 ASP H H 41 7.762 7.762 7.706 0.056 19642 2275 1 5 . 1 1 42 42 VAL N N 42 122.442 122.442 116.042 6.400 19642 2276 1 5 . 1 1 42 42 VAL HA H 42 4.635 4.635 5.283 -0.648 19642 2277 1 5 . 1 1 42 42 VAL C C 42 174.714 174.714 174.376 0.338 19642 2278 1 5 . 1 1 42 42 VAL CA C 42 61.274 61.274 59.422 1.852 19642 2279 1 5 . 1 1 42 42 VAL CB C 42 34.832 34.832 36.014 -1.182 19642 2280 1 5 . 1 1 42 42 VAL H H 42 7.939 7.939 8.303 -0.364 19642 2281 1 5 . 1 1 43 43 ARG N N 43 126.687 126.687 121.481 5.206 19642 2282 1 5 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.784 -0.019 19642 2283 1 5 . 1 1 43 43 ARG C C 43 175.278 175.278 173.841 1.437 19642 2284 1 5 . 1 1 43 43 ARG CA C 43 54.378 54.378 56.101 -1.723 19642 2285 1 5 . 1 1 43 43 ARG CB C 43 32.434 32.434 32.870 -0.436 19642 2286 1 5 . 1 1 43 43 ARG H H 43 9.171 9.171 9.179 -0.008 19642 2287 1 5 . 1 1 44 44 MET N N 44 123.092 123.092 121.169 1.923 19642 2288 1 5 . 1 1 44 44 MET HA H 44 4.906 4.906 4.994 -0.088 19642 2289 1 5 . 1 1 44 44 MET C C 44 176.360 176.360 174.956 1.404 19642 2290 1 5 . 1 1 44 44 MET CA C 44 53.152 53.152 54.607 -1.455 19642 2291 1 5 . 1 1 44 44 MET CB C 44 32.940 32.940 36.059 -3.119 19642 2292 1 5 . 1 1 44 44 MET H H 44 8.939 8.939 8.409 0.530 19642 2293 1 5 . 1 1 45 45 ILE N N 45 124.146 124.146 123.431 0.715 19642 2294 1 5 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.442 0.018 19642 2295 1 5 . 1 1 45 45 ILE C C 45 175.961 175.961 175.558 0.403 19642 2296 1 5 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.935 -0.988 19642 2297 1 5 . 1 1 45 45 ILE CB C 45 38.193 38.193 37.123 1.070 19642 2298 1 5 . 1 1 45 45 ILE H H 45 8.319 8.319 8.434 -0.115 19642 2299 1 5 . 1 1 46 46 SER N N 46 121.541 121.541 121.415 0.126 19642 2300 1 5 . 1 1 46 46 SER HA H 46 4.709 4.709 4.448 0.261 19642 2301 1 5 . 1 1 46 46 SER C C 46 174.061 174.061 175.456 -1.395 19642 2302 1 5 . 1 1 46 46 SER CA C 46 57.381 57.381 58.843 -1.462 19642 2303 1 5 . 1 1 46 46 SER CB C 46 64.273 64.273 63.168 1.105 19642 2304 1 5 . 1 1 46 46 SER H H 46 8.653 8.653 8.817 -0.164 19642 2305 1 5 . 1 1 47 47 ASP N N 47 123.132 123.132 123.686 -0.554 19642 2306 1 5 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.549 0.109 19642 2307 1 5 . 1 1 47 47 ASP C C 47 177.203 177.203 176.274 0.929 19642 2308 1 5 . 1 1 47 47 ASP CA C 47 53.662 53.662 55.232 -1.570 19642 2309 1 5 . 1 1 47 47 ASP CB C 47 41.920 41.920 39.803 2.117 19642 2310 1 5 . 1 1 47 47 ASP H H 47 8.598 8.598 8.611 -0.013 19642 2311 1 5 . 1 1 48 48 ARG N N 48 122.881 122.881 118.322 4.559 19642 2312 1 5 . 1 1 48 48 ARG HA H 48 4.207 4.207 3.764 0.443 19642 2313 1 5 . 1 1 48 48 ARG C C 48 177.090 177.090 175.789 1.301 19642 2314 1 5 . 1 1 48 48 ARG CA C 48 57.206 57.206 59.207 -2.001 19642 2315 1 5 . 1 1 48 48 ARG CB C 48 29.775 29.775 29.143 0.632 19642 2316 1 5 . 1 1 48 48 ARG H H 48 8.648 8.648 8.611 0.037 19642 2317 1 5 . 1 1 49 49 ASN N N 49 117.245 117.245 116.996 0.249 19642 2318 1 5 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.415 0.331 19642 2319 1 5 . 1 1 49 49 ASN C C 49 175.822 175.822 174.823 0.999 19642 2320 1 5 . 1 1 49 49 ASN CA C 49 53.592 53.592 53.950 -0.358 19642 2321 1 5 . 1 1 49 49 ASN CB C 49 38.910 38.910 37.011 1.899 19642 2322 1 5 . 1 1 49 49 ASN H H 49 8.502 8.502 8.640 -0.138 19642 2323 1 5 . 1 1 50 50 SER N N 50 114.891 114.891 112.595 2.296 19642 2324 1 5 . 1 1 50 50 SER HA H 50 4.429 4.429 4.133 0.296 19642 2325 1 5 . 1 1 50 50 SER C C 50 175.339 175.339 174.225 1.114 19642 2326 1 5 . 1 1 50 50 SER CA C 50 58.396 58.396 60.176 -1.780 19642 2327 1 5 . 1 1 50 50 SER CB C 50 63.681 63.681 62.616 1.065 19642 2328 1 5 . 1 1 50 50 SER H H 50 8.158 8.158 8.635 -0.477 19642 2329 1 5 . 1 1 51 51 ARG N N 51 120.957 120.957 117.172 3.785 19642 2330 1 5 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.466 -0.177 19642 2331 1 5 . 1 1 51 51 ARG C C 51 176.845 176.845 175.433 1.412 19642 2332 1 5 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.525 0.147 19642 2333 1 5 . 1 1 51 51 ARG CB C 51 29.620 29.620 31.935 -2.315 19642 2334 1 5 . 1 1 51 51 ARG H H 51 8.451 8.451 8.267 0.184 19642 2335 1 5 . 1 1 52 52 ARG N N 52 119.405 119.405 116.014 3.391 19642 2336 1 5 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.039 0.381 19642 2337 1 5 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.821 -1.056 19642 2338 1 5 . 1 1 52 52 ARG CB C 52 30.875 30.875 29.326 1.549 19642 2339 1 5 . 1 1 52 52 ARG H H 52 8.159 8.159 8.376 -0.216 19642 2340 1 5 . 1 1 53 53 SER N N 53 116.328 116.328 115.551 0.777 19642 2341 1 5 . 1 1 53 53 SER HA H 53 4.492 4.492 4.489 0.003 19642 2342 1 5 . 1 1 53 53 SER CA C 53 58.142 58.142 58.661 -0.519 19642 2343 1 5 . 1 1 53 53 SER CB C 53 63.447 63.447 61.594 1.853 19642 2344 1 5 . 1 1 53 53 SER H H 53 8.370 8.370 8.677 -0.307 19642 2345 1 5 . 1 1 54 54 LYS N N 54 122.099 122.099 120.629 1.470 19642 2346 1 5 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.168 0.331 19642 2347 1 5 . 1 1 54 54 LYS CA C 54 55.563 55.563 56.949 -1.386 19642 2348 1 5 . 1 1 54 54 LYS CB C 54 33.079 33.079 32.335 0.744 19642 2349 1 5 . 1 1 54 54 LYS H H 54 8.374 8.374 8.175 0.199 19642 2350 1 5 . 1 1 55 55 GLY N N 55 109.513 109.513 106.659 2.854 19642 2351 1 5 . 1 1 55 55 GLY C C 55 172.962 172.962 172.193 0.769 19642 2352 1 5 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.469 1.425 19642 2353 1 5 . 1 1 55 55 GLY H H 55 8.592 8.592 8.003 0.589 19642 2354 1 5 . 1 1 56 56 ILE N N 56 114.180 114.180 114.337 -0.157 19642 2355 1 5 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.476 -0.464 19642 2356 1 5 . 1 1 56 56 ILE C C 56 175.172 175.172 173.467 1.705 19642 2357 1 5 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.941 -0.211 19642 2358 1 5 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.264 0.898 19642 2359 1 5 . 1 1 56 56 ILE H H 56 7.618 7.618 7.670 -0.052 19642 2360 1 5 . 1 1 57 57 ALA N N 57 121.556 121.556 126.255 -4.699 19642 2361 1 5 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.234 -0.114 19642 2362 1 5 . 1 1 57 57 ALA C C 57 175.094 175.094 174.868 0.226 19642 2363 1 5 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.279 -0.580 19642 2364 1 5 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.948 1.222 19642 2365 1 5 . 1 1 57 57 ALA H H 57 8.308 8.308 8.568 -0.260 19642 2366 1 5 . 1 1 58 58 TYR N N 58 118.387 118.387 116.604 1.783 19642 2367 1 5 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.691 -0.210 19642 2368 1 5 . 1 1 58 58 TYR C C 58 175.537 175.537 174.917 0.620 19642 2369 1 5 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.010 0.504 19642 2370 1 5 . 1 1 58 58 TYR CB C 58 40.607 40.607 42.618 -2.011 19642 2371 1 5 . 1 1 58 58 TYR H H 58 8.971 8.971 9.149 -0.178 19642 2372 1 5 . 1 1 59 59 VAL N N 59 122.978 122.978 121.274 1.704 19642 2373 1 5 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.642 -0.266 19642 2374 1 5 . 1 1 59 59 VAL C C 59 172.631 172.631 175.293 -2.662 19642 2375 1 5 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.216 0.001 19642 2376 1 5 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.304 -0.729 19642 2377 1 5 . 1 1 59 59 VAL H H 59 8.828 8.828 9.036 -0.208 19642 2378 1 5 . 1 1 60 60 GLU N N 60 128.557 128.557 127.518 1.039 19642 2379 1 5 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.535 0.316 19642 2380 1 5 . 1 1 60 60 GLU C C 60 176.210 176.210 176.077 0.133 19642 2381 1 5 . 1 1 60 60 GLU CA C 60 53.842 53.842 56.805 -2.963 19642 2382 1 5 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.480 2.623 19642 2383 1 5 . 1 1 60 60 GLU H H 60 8.774 8.774 9.146 -0.372 19642 2384 1 5 . 1 1 61 61 PHE N N 61 126.659 126.659 124.287 2.372 19642 2385 1 5 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.715 0.201 19642 2386 1 5 . 1 1 61 61 PHE C C 61 176.011 176.011 177.193 -1.182 19642 2387 1 5 . 1 1 61 61 PHE CA C 61 58.586 58.586 59.483 -0.897 19642 2388 1 5 . 1 1 61 61 PHE CB C 61 41.038 41.038 40.440 0.598 19642 2389 1 5 . 1 1 61 61 PHE H H 61 9.340 9.340 9.288 0.052 19642 2390 1 5 . 1 1 62 62 VAL N N 62 118.280 118.280 121.486 -3.206 19642 2391 1 5 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.852 -0.109 19642 2392 1 5 . 1 1 62 62 VAL C C 62 176.097 176.097 175.405 0.692 19642 2393 1 5 . 1 1 62 62 VAL CA C 62 65.785 65.785 65.224 0.561 19642 2394 1 5 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.165 0.646 19642 2395 1 5 . 1 1 62 62 VAL H H 62 8.184 8.184 8.647 -0.463 19642 2396 1 5 . 1 1 63 63 ASP N N 63 118.269 118.269 117.270 0.999 19642 2397 1 5 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.799 0.393 19642 2398 1 5 . 1 1 63 63 ASP C C 63 176.648 176.648 175.987 0.661 19642 2399 1 5 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.891 -0.252 19642 2400 1 5 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.666 0.903 19642 2401 1 5 . 1 1 63 63 ASP H H 63 8.708 8.708 7.914 0.794 19642 2402 1 5 . 1 1 64 64 VAL N N 64 121.961 121.961 122.519 -0.558 19642 2403 1 5 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.908 -0.097 19642 2404 1 5 . 1 1 64 64 VAL C C 64 178.439 178.439 177.090 1.349 19642 2405 1 5 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.463 0.356 19642 2406 1 5 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.386 -0.336 19642 2407 1 5 . 1 1 64 64 VAL H H 64 8.609 8.609 8.633 -0.024 19642 2408 1 5 . 1 1 65 65 SER N N 65 115.305 115.305 114.835 0.470 19642 2409 1 5 . 1 1 65 65 SER HA H 65 4.143 4.143 4.238 -0.095 19642 2410 1 5 . 1 1 65 65 SER C C 65 176.285 176.285 175.215 1.070 19642 2411 1 5 . 1 1 65 65 SER CA C 65 60.158 60.158 60.748 -0.590 19642 2412 1 5 . 1 1 65 65 SER CB C 65 62.066 62.066 62.984 -0.918 19642 2413 1 5 . 1 1 65 65 SER H H 65 8.492 8.492 8.417 0.075 19642 2414 1 5 . 1 1 66 66 SER N N 66 116.053 116.053 116.223 -0.170 19642 2415 1 5 . 1 1 66 66 SER HA H 66 4.024 4.024 4.227 -0.203 19642 2416 1 5 . 1 1 66 66 SER C C 66 174.528 174.528 174.481 0.047 19642 2417 1 5 . 1 1 66 66 SER CA C 66 60.749 60.749 59.072 1.677 19642 2418 1 5 . 1 1 66 66 SER CB C 66 63.063 63.063 63.079 -0.016 19642 2419 1 5 . 1 1 66 66 SER H H 66 7.414 7.414 7.560 -0.146 19642 2420 1 5 . 1 1 67 67 VAL N N 67 119.830 119.830 122.782 -2.952 19642 2421 1 5 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.265 0.055 19642 2422 1 5 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.185 0.853 19642 2423 1 5 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.114 0.084 19642 2424 1 5 . 1 1 67 67 VAL H H 67 7.611 7.611 7.288 0.323 19642 2425 1 5 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.212 0.053 19642 2426 1 5 . 1 1 68 68 PRO C C 68 180.457 180.457 178.346 2.111 19642 2427 1 5 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.419 -0.347 19642 2428 1 5 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.011 -0.273 19642 2429 1 5 . 1 1 69 69 LEU N N 69 115.334 115.334 121.046 -5.712 19642 2430 1 5 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.924 0.175 19642 2431 1 5 . 1 1 69 69 LEU C C 69 179.450 179.450 178.049 1.401 19642 2432 1 5 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.511 -1.069 19642 2433 1 5 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.245 -0.123 19642 2434 1 5 . 1 1 69 69 LEU H H 69 6.284 6.284 7.321 -1.037 19642 2435 1 5 . 1 1 70 70 ALA N N 70 122.703 122.703 121.038 1.665 19642 2436 1 5 . 1 1 70 70 ALA HA H 70 4.175 4.175 3.841 0.334 19642 2437 1 5 . 1 1 70 70 ALA C C 70 180.611 180.611 180.417 0.194 19642 2438 1 5 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.675 0.220 19642 2439 1 5 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.620 1.924 19642 2440 1 5 . 1 1 70 70 ALA H H 70 8.342 8.342 7.219 1.123 19642 2441 1 5 . 1 1 71 71 ILE N N 71 118.692 118.692 118.709 -0.017 19642 2442 1 5 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.639 0.626 19642 2443 1 5 . 1 1 71 71 ILE C C 71 179.971 179.971 178.237 1.734 19642 2444 1 5 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.755 0.361 19642 2445 1 5 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.699 0.901 19642 2446 1 5 . 1 1 71 71 ILE H H 71 8.255 8.255 7.541 0.714 19642 2447 1 5 . 1 1 72 72 GLY N N 72 106.417 106.417 106.952 -0.535 19642 2448 1 5 . 1 1 72 72 GLY C C 72 174.590 174.590 175.564 -0.974 19642 2449 1 5 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.916 -1.025 19642 2450 1 5 . 1 1 72 72 GLY H H 72 7.635 7.635 7.975 -0.340 19642 2451 1 5 . 1 1 73 73 LEU N N 73 120.383 120.383 120.729 -0.346 19642 2452 1 5 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.403 0.008 19642 2453 1 5 . 1 1 73 73 LEU C C 73 176.338 176.338 178.122 -1.784 19642 2454 1 5 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.625 0.324 19642 2455 1 5 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.105 -0.512 19642 2456 1 5 . 1 1 73 73 LEU H H 73 7.767 7.767 7.475 0.292 19642 2457 1 5 . 1 1 74 74 THR N N 74 115.157 115.157 116.574 -1.417 19642 2458 1 5 . 1 1 74 74 THR HA H 74 4.060 4.060 4.218 -0.158 19642 2459 1 5 . 1 1 74 74 THR C C 74 175.656 175.656 175.859 -0.203 19642 2460 1 5 . 1 1 74 74 THR CA C 74 66.177 66.177 66.171 0.006 19642 2461 1 5 . 1 1 74 74 THR CB C 74 69.821 69.821 68.771 1.050 19642 2462 1 5 . 1 1 74 74 THR H H 74 7.731 7.731 7.571 0.160 19642 2463 1 5 . 1 1 75 75 GLY N N 75 117.587 117.587 107.062 10.525 19642 2464 1 5 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.657 -0.032 19642 2465 1 5 . 1 1 75 75 GLY H H 75 9.519 9.519 8.096 1.423 19642 2466 1 5 . 1 1 76 76 GLN N N 76 120.027 120.027 120.068 -0.041 19642 2467 1 5 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.616 -0.302 19642 2468 1 5 . 1 1 76 76 GLN C C 76 175.015 175.015 174.858 0.157 19642 2469 1 5 . 1 1 76 76 GLN CA C 76 55.819 55.819 54.895 0.924 19642 2470 1 5 . 1 1 76 76 GLN CB C 76 28.220 28.220 30.751 -2.531 19642 2471 1 5 . 1 1 76 76 GLN H H 76 8.319 8.319 7.910 0.409 19642 2472 1 5 . 1 1 77 77 ARG N N 77 118.759 118.759 118.088 0.671 19642 2473 1 5 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.611 -0.480 19642 2474 1 5 . 1 1 77 77 ARG C C 77 176.209 176.209 175.398 0.811 19642 2475 1 5 . 1 1 77 77 ARG CA C 77 56.091 56.091 54.866 1.225 19642 2476 1 5 . 1 1 77 77 ARG CB C 77 31.364 31.364 30.649 0.715 19642 2477 1 5 . 1 1 77 77 ARG H H 77 8.544 8.544 8.614 -0.070 19642 2478 1 5 . 1 1 78 78 VAL N N 78 123.886 123.886 125.196 -1.310 19642 2479 1 5 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.730 0.105 19642 2480 1 5 . 1 1 78 78 VAL C C 78 176.570 176.570 175.411 1.159 19642 2481 1 5 . 1 1 78 78 VAL CA C 78 61.470 61.470 63.156 -1.686 19642 2482 1 5 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.839 0.363 19642 2483 1 5 . 1 1 78 78 VAL H H 78 8.015 8.015 7.769 0.246 19642 2484 1 5 . 1 1 79 79 LEU N N 79 129.331 129.331 128.053 1.278 19642 2485 1 5 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.972 -0.140 19642 2486 1 5 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.201 0.572 19642 2487 1 5 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.064 0.477 19642 2488 1 5 . 1 1 79 79 LEU H H 79 9.570 9.570 8.847 0.723 19642 2489 1 5 . 1 1 80 80 GLY N N 80 100.301 100.301 104.981 -4.680 19642 2490 1 5 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.779 0.450 19642 2491 1 5 . 1 1 80 80 GLY H H 80 8.316 8.316 7.981 0.335 19642 2492 1 5 . 1 1 81 81 VAL N N 81 122.763 122.763 121.062 1.701 19642 2493 1 5 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.483 0.154 19642 2494 1 5 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.803 0.552 19642 2495 1 5 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.505 3.392 19642 2496 1 5 . 1 1 81 81 VAL H H 81 7.632 7.632 7.747 -0.115 19642 2497 1 5 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.831 -0.499 19642 2498 1 5 . 1 1 82 82 PRO C C 82 175.005 175.005 175.724 -0.719 19642 2499 1 5 . 1 1 82 82 PRO CA C 82 62.503 62.503 61.848 0.655 19642 2500 1 5 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.969 -1.689 19642 2501 1 5 . 1 1 83 83 ILE N N 83 126.022 126.022 117.338 8.684 19642 2502 1 5 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.995 -0.369 19642 2503 1 5 . 1 1 83 83 ILE C C 83 175.679 175.679 174.373 1.306 19642 2504 1 5 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.611 2.358 19642 2505 1 5 . 1 1 83 83 ILE CB C 83 40.913 40.913 42.020 -1.107 19642 2506 1 5 . 1 1 83 83 ILE H H 83 8.391 8.391 7.491 0.900 19642 2507 1 5 . 1 1 84 84 ILE N N 84 125.284 125.284 126.854 -1.570 19642 2508 1 5 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.384 0.049 19642 2509 1 5 . 1 1 84 84 ILE C C 84 174.418 174.418 177.863 -3.445 19642 2510 1 5 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.015 2.298 19642 2511 1 5 . 1 1 84 84 ILE CB C 84 39.900 39.900 37.458 2.442 19642 2512 1 5 . 1 1 84 84 ILE H H 84 7.842 7.842 8.319 -0.477 19642 2513 1 5 . 1 1 85 85 VAL N N 85 128.143 128.143 123.003 5.140 19642 2514 1 5 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.925 -0.308 19642 2515 1 5 . 1 1 85 85 VAL CA C 85 64.887 64.887 63.770 1.117 19642 2516 1 5 . 1 1 85 85 VAL CB C 85 34.069 34.069 30.335 3.734 19642 2517 1 5 . 1 1 85 85 VAL H H 85 8.400 8.400 8.675 -0.275 19642 2518 1 5 . 1 1 86 86 GLN N N 86 122.965 122.965 119.872 3.093 19642 2519 1 5 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.117 0.786 19642 2520 1 5 . 1 1 86 86 GLN C C 86 175.590 175.590 176.116 -0.526 19642 2521 1 5 . 1 1 86 86 GLN CA C 86 60.756 60.756 56.776 3.980 19642 2522 1 5 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.913 5.101 19642 2523 1 5 . 1 1 86 86 GLN H H 86 9.242 9.242 7.675 1.567 19642 2524 1 5 . 1 1 87 87 ALA N N 87 123.174 123.174 119.176 3.998 19642 2525 1 5 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.049 0.307 19642 2526 1 5 . 1 1 87 87 ALA C C 87 178.095 178.095 176.338 1.757 19642 2527 1 5 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.763 0.062 19642 2528 1 5 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.665 -0.131 19642 2529 1 5 . 1 1 87 87 ALA H H 87 8.907 8.907 7.887 1.020 19642 2530 1 5 . 1 1 88 88 SER N N 88 114.952 114.952 117.286 -2.334 19642 2531 1 5 . 1 1 88 88 SER HA H 88 4.294 4.294 4.782 -0.488 19642 2532 1 5 . 1 1 88 88 SER C C 88 175.470 175.470 173.790 1.680 19642 2533 1 5 . 1 1 88 88 SER CA C 88 59.617 59.617 58.215 1.402 19642 2534 1 5 . 1 1 88 88 SER CB C 88 63.409 63.409 62.967 0.442 19642 2535 1 5 . 1 1 88 88 SER H H 88 8.343 8.343 8.533 -0.190 19642 2536 1 5 . 1 1 89 89 GLN N N 89 121.151 121.151 126.449 -5.298 19642 2537 1 5 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.557 -0.244 19642 2538 1 5 . 1 1 89 89 GLN C C 89 175.838 175.838 176.229 -0.391 19642 2539 1 5 . 1 1 89 89 GLN CA C 89 55.286 55.286 55.152 0.134 19642 2540 1 5 . 1 1 89 89 GLN CB C 89 29.333 29.333 30.908 -1.575 19642 2541 1 5 . 1 1 89 89 GLN H H 89 8.348 8.348 8.295 0.053 19642 2542 1 5 . 1 1 90 90 ALA N N 90 124.942 124.942 125.300 -0.358 19642 2543 1 5 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.054 0.149 19642 2544 1 5 . 1 1 90 90 ALA C C 90 178.381 178.381 176.594 1.787 19642 2545 1 5 . 1 1 90 90 ALA CA C 90 52.762 52.762 52.919 -0.157 19642 2546 1 5 . 1 1 90 90 ALA CB C 90 19.071 19.071 18.896 0.175 19642 2547 1 5 . 1 1 90 90 ALA H H 90 8.245 8.245 8.486 -0.241 19642 2548 1 5 . 1 1 91 91 GLU N N 91 119.604 119.604 119.220 0.384 19642 2549 1 5 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.450 -0.297 19642 2550 1 5 . 1 1 91 91 GLU C C 91 176.986 176.986 176.767 0.219 19642 2551 1 5 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.082 0.453 19642 2552 1 5 . 1 1 91 91 GLU CB C 91 30.029 30.029 29.924 0.105 19642 2553 1 5 . 1 1 91 91 GLU H H 91 8.414 8.414 8.679 -0.265 19642 2554 1 5 . 1 1 92 92 LYS N N 92 121.284 121.284 120.582 0.702 19642 2555 1 5 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.445 -0.155 19642 2556 1 5 . 1 1 92 92 LYS C C 92 176.699 176.699 175.992 0.707 19642 2557 1 5 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.724 0.318 19642 2558 1 5 . 1 1 92 92 LYS CB C 92 32.705 32.705 32.974 -0.269 19642 2559 1 5 . 1 1 92 92 LYS H H 92 8.212 8.212 8.133 0.079 19642 2560 1 5 . 1 1 93 93 ASN N N 93 119.221 119.221 118.127 1.094 19642 2561 1 5 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.391 0.309 19642 2562 1 5 . 1 1 93 93 ASN C C 93 174.424 174.424 174.235 0.189 19642 2563 1 5 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.062 0.048 19642 2564 1 5 . 1 1 93 93 ASN CB C 93 38.726 38.726 37.779 0.947 19642 2565 1 5 . 1 1 93 93 ASN H H 93 8.370 8.370 8.485 -0.115 19642 2566 1 6 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.911 -0.218 19642 2567 1 6 . 1 1 2 2 HIS C C 2 175.244 175.244 175.155 0.089 19642 2568 1 6 . 1 1 2 2 HIS CA C 2 55.849 55.849 55.193 0.656 19642 2569 1 6 . 1 1 2 2 HIS CB C 2 30.165 30.165 29.966 0.199 19642 2570 1 6 . 1 1 3 3 MET HA H 3 4.464 4.464 4.485 -0.021 19642 2571 1 6 . 1 1 3 3 MET C C 3 175.896 175.896 176.418 -0.522 19642 2572 1 6 . 1 1 3 3 MET CA C 3 55.188 55.188 56.219 -1.031 19642 2573 1 6 . 1 1 3 3 MET CB C 3 32.736 32.736 32.895 -0.159 19642 2574 1 6 . 1 1 4 4 ASN N N 4 120.610 120.610 120.969 -0.359 19642 2575 1 6 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.844 -0.092 19642 2576 1 6 . 1 1 4 4 ASN C C 4 175.033 175.033 173.838 1.195 19642 2577 1 6 . 1 1 4 4 ASN CA C 4 52.728 52.728 52.883 -0.155 19642 2578 1 6 . 1 1 4 4 ASN CB C 4 38.604 38.604 39.020 -0.416 19642 2579 1 6 . 1 1 4 4 ASN H H 4 8.564 8.564 8.578 -0.014 19642 2580 1 6 . 1 1 5 5 LEU N N 5 122.314 122.314 122.708 -0.394 19642 2581 1 6 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.772 -0.162 19642 2582 1 6 . 1 1 5 5 LEU C C 5 178.178 178.178 177.307 0.871 19642 2583 1 6 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.519 -0.214 19642 2584 1 6 . 1 1 5 5 LEU CB C 5 43.343 43.343 41.137 2.206 19642 2585 1 6 . 1 1 5 5 LEU H H 5 8.046 8.046 7.700 0.346 19642 2586 1 6 . 1 1 6 6 THR N N 6 115.483 115.483 119.498 -4.015 19642 2587 1 6 . 1 1 6 6 THR HA H 6 4.626 4.626 4.787 -0.161 19642 2588 1 6 . 1 1 6 6 THR CA C 6 60.039 60.039 59.788 0.251 19642 2589 1 6 . 1 1 6 6 THR CB C 6 68.119 68.119 69.700 -1.581 19642 2590 1 6 . 1 1 6 6 THR H H 6 8.948 8.948 8.097 0.851 19642 2591 1 6 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.188 -0.045 19642 2592 1 6 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.451 0.121 19642 2593 1 6 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.930 -0.290 19642 2594 1 6 . 1 1 8 8 GLU N N 8 116.691 116.691 118.098 -1.407 19642 2595 1 6 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.137 -0.026 19642 2596 1 6 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.059 0.513 19642 2597 1 6 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.271 -0.382 19642 2598 1 6 . 1 1 8 8 GLU H H 8 8.753 8.753 8.645 0.108 19642 2599 1 6 . 1 1 9 9 GLU N N 9 121.235 121.235 119.779 1.456 19642 2600 1 6 . 1 1 9 9 GLU HA H 9 4.041 4.041 3.996 0.045 19642 2601 1 6 . 1 1 9 9 GLU C C 9 180.194 180.194 178.873 1.321 19642 2602 1 6 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.456 -0.929 19642 2603 1 6 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.603 0.963 19642 2604 1 6 . 1 1 9 9 GLU H H 9 7.823 7.823 7.918 -0.095 19642 2605 1 6 . 1 1 10 10 ARG N N 10 120.373 120.373 116.939 3.434 19642 2606 1 6 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.098 -0.211 19642 2607 1 6 . 1 1 10 10 ARG C C 10 180.714 180.714 177.608 3.106 19642 2608 1 6 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.638 1.147 19642 2609 1 6 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.244 -0.373 19642 2610 1 6 . 1 1 10 10 ARG H H 10 8.363 8.363 7.495 0.868 19642 2611 1 6 . 1 1 11 11 ASP N N 11 123.103 123.103 118.093 5.010 19642 2612 1 6 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.686 -0.372 19642 2613 1 6 . 1 1 11 11 ASP C C 11 179.081 179.081 176.498 2.583 19642 2614 1 6 . 1 1 11 11 ASP CA C 11 57.683 57.683 55.229 2.454 19642 2615 1 6 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.208 -1.185 19642 2616 1 6 . 1 1 11 11 ASP H H 11 8.709 8.709 7.749 0.960 19642 2617 1 6 . 1 1 12 12 ALA N N 12 119.926 119.926 121.709 -1.783 19642 2618 1 6 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.177 0.066 19642 2619 1 6 . 1 1 12 12 ALA C C 12 177.593 177.593 178.805 -1.212 19642 2620 1 6 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.951 -0.143 19642 2621 1 6 . 1 1 12 12 ALA CB C 12 18.341 18.341 19.462 -1.121 19642 2622 1 6 . 1 1 12 12 ALA H H 12 7.615 7.615 7.546 0.069 19642 2623 1 6 . 1 1 13 13 ARG N N 13 113.504 113.504 113.809 -0.305 19642 2624 1 6 . 1 1 13 13 ARG HA H 13 4.427 4.427 3.946 0.481 19642 2625 1 6 . 1 1 13 13 ARG C C 13 174.905 174.905 175.589 -0.684 19642 2626 1 6 . 1 1 13 13 ARG CA C 13 55.588 55.588 58.081 -2.493 19642 2627 1 6 . 1 1 13 13 ARG CB C 13 30.789 30.789 28.525 2.264 19642 2628 1 6 . 1 1 13 13 ARG H H 13 7.204 7.204 8.120 -0.915 19642 2629 1 6 . 1 1 14 14 THR N N 14 117.103 117.103 115.272 1.831 19642 2630 1 6 . 1 1 14 14 THR HA H 14 5.589 5.589 4.782 0.807 19642 2631 1 6 . 1 1 14 14 THR C C 14 174.610 174.610 175.071 -0.461 19642 2632 1 6 . 1 1 14 14 THR CA C 14 61.993 61.993 63.036 -1.043 19642 2633 1 6 . 1 1 14 14 THR CB C 14 70.185 70.185 70.227 -0.042 19642 2634 1 6 . 1 1 14 14 THR H H 14 7.685 7.685 7.463 0.222 19642 2635 1 6 . 1 1 15 15 VAL N N 15 117.127 117.127 118.248 -1.121 19642 2636 1 6 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.559 0.521 19642 2637 1 6 . 1 1 15 15 VAL C C 15 173.786 173.786 174.076 -0.290 19642 2638 1 6 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.061 -0.476 19642 2639 1 6 . 1 1 15 15 VAL CB C 15 33.823 33.823 35.034 -1.211 19642 2640 1 6 . 1 1 15 15 VAL H H 15 9.154 9.154 8.717 0.437 19642 2641 1 6 . 1 1 16 16 PHE N N 16 122.697 122.697 120.998 1.699 19642 2642 1 6 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.939 0.244 19642 2643 1 6 . 1 1 16 16 PHE C C 16 174.520 174.520 174.160 0.360 19642 2644 1 6 . 1 1 16 16 PHE CA C 16 54.981 54.981 55.838 -0.857 19642 2645 1 6 . 1 1 16 16 PHE CB C 16 42.266 42.266 41.438 0.828 19642 2646 1 6 . 1 1 16 16 PHE H H 16 9.359 9.359 8.530 0.829 19642 2647 1 6 . 1 1 17 17 CYS N N 17 122.356 122.356 127.745 -5.389 19642 2648 1 6 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.524 1.043 19642 2649 1 6 . 1 1 17 17 CYS C C 17 173.018 173.018 173.170 -0.152 19642 2650 1 6 . 1 1 17 17 CYS CA C 17 55.708 55.708 57.880 -2.172 19642 2651 1 6 . 1 1 17 17 CYS CB C 17 30.776 30.776 30.035 0.740 19642 2652 1 6 . 1 1 17 17 CYS H H 17 8.931 8.931 9.035 -0.104 19642 2653 1 6 . 1 1 18 18 MET N N 18 117.884 117.884 123.188 -5.304 19642 2654 1 6 . 1 1 18 18 MET HA H 18 4.846 4.846 4.382 0.464 19642 2655 1 6 . 1 1 18 18 MET C C 18 173.706 173.706 174.366 -0.660 19642 2656 1 6 . 1 1 18 18 MET CA C 18 53.623 53.623 54.563 -0.940 19642 2657 1 6 . 1 1 18 18 MET CB C 18 31.772 31.772 32.386 -0.614 19642 2658 1 6 . 1 1 18 18 MET H H 18 8.818 8.818 8.624 0.194 19642 2659 1 6 . 1 1 19 19 GLN N N 19 115.022 115.022 118.436 -3.414 19642 2660 1 6 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.339 -0.641 19642 2661 1 6 . 1 1 19 19 GLN C C 19 173.403 173.403 174.704 -1.301 19642 2662 1 6 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.739 2.270 19642 2663 1 6 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.792 -1.870 19642 2664 1 6 . 1 1 19 19 GLN H H 19 8.463 8.463 7.983 0.480 19642 2665 1 6 . 1 1 20 20 LEU N N 20 116.032 116.032 120.872 -4.840 19642 2666 1 6 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.153 0.101 19642 2667 1 6 . 1 1 20 20 LEU C C 20 177.827 177.827 176.567 1.260 19642 2668 1 6 . 1 1 20 20 LEU CA C 20 52.595 52.595 55.058 -2.463 19642 2669 1 6 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.535 0.723 19642 2670 1 6 . 1 1 20 20 LEU H H 20 7.685 7.685 7.096 0.589 19642 2671 1 6 . 1 1 21 21 ALA N N 21 125.644 125.644 124.218 1.426 19642 2672 1 6 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.168 -0.023 19642 2673 1 6 . 1 1 21 21 ALA C C 21 178.868 178.868 176.888 1.980 19642 2674 1 6 . 1 1 21 21 ALA CA C 21 51.661 51.661 52.431 -0.770 19642 2675 1 6 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.529 -0.175 19642 2676 1 6 . 1 1 21 21 ALA H H 21 9.473 9.473 8.369 1.104 19642 2677 1 6 . 1 1 22 22 ALA N N 22 124.495 124.495 118.883 5.612 19642 2678 1 6 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.541 -0.432 19642 2679 1 6 . 1 1 22 22 ALA C C 22 179.705 179.705 177.028 2.677 19642 2680 1 6 . 1 1 22 22 ALA CA C 22 54.560 54.560 52.220 2.340 19642 2681 1 6 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.990 -0.632 19642 2682 1 6 . 1 1 22 22 ALA H H 22 8.583 8.583 8.323 0.260 19642 2683 1 6 . 1 1 23 23 ARG N N 23 111.716 111.716 118.697 -6.981 19642 2684 1 6 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.486 -0.118 19642 2685 1 6 . 1 1 23 23 ARG C C 23 176.243 176.243 175.546 0.697 19642 2686 1 6 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.582 -0.446 19642 2687 1 6 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.882 -1.721 19642 2688 1 6 . 1 1 23 23 ARG H H 23 7.905 7.905 8.378 -0.473 19642 2689 1 6 . 1 1 24 24 ILE N N 24 121.734 121.734 121.721 0.013 19642 2690 1 6 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.041 -0.149 19642 2691 1 6 . 1 1 24 24 ILE C C 24 173.297 173.297 175.502 -2.205 19642 2692 1 6 . 1 1 24 24 ILE CA C 24 61.336 61.336 60.999 0.337 19642 2693 1 6 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.989 -0.238 19642 2694 1 6 . 1 1 24 24 ILE H H 24 7.270 7.270 7.662 -0.392 19642 2695 1 6 . 1 1 25 25 ARG N N 25 125.810 125.810 128.114 -2.304 19642 2696 1 6 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.481 0.474 19642 2697 1 6 . 1 1 25 25 ARG CA C 25 52.417 52.417 54.785 -2.368 19642 2698 1 6 . 1 1 25 25 ARG CB C 25 30.964 30.964 29.731 1.233 19642 2699 1 6 . 1 1 25 25 ARG H H 25 8.994 8.994 8.521 0.473 19642 2700 1 6 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.193 -0.133 19642 2701 1 6 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.651 1.021 19642 2702 1 6 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.007 -0.547 19642 2703 1 6 . 1 1 27 27 ARG N N 27 114.118 114.118 117.530 -3.412 19642 2704 1 6 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.302 -0.062 19642 2705 1 6 . 1 1 27 27 ARG C C 27 178.376 178.376 177.569 0.807 19642 2706 1 6 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.866 -0.751 19642 2707 1 6 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.836 -0.295 19642 2708 1 6 . 1 1 27 27 ARG H H 27 8.362 8.362 8.479 -0.117 19642 2709 1 6 . 1 1 28 28 ASP N N 28 116.954 116.954 120.704 -3.750 19642 2710 1 6 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.444 0.017 19642 2711 1 6 . 1 1 28 28 ASP C C 28 180.328 180.328 178.512 1.816 19642 2712 1 6 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.372 0.155 19642 2713 1 6 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.332 1.232 19642 2714 1 6 . 1 1 28 28 ASP H H 28 7.688 7.688 7.675 0.013 19642 2715 1 6 . 1 1 29 29 LEU N N 29 117.931 117.931 116.815 1.116 19642 2716 1 6 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.208 0.109 19642 2717 1 6 . 1 1 29 29 LEU C C 29 178.541 178.541 178.585 -0.044 19642 2718 1 6 . 1 1 29 29 LEU CA C 29 56.849 56.849 56.547 0.302 19642 2719 1 6 . 1 1 29 29 LEU CB C 29 41.772 41.772 40.973 0.799 19642 2720 1 6 . 1 1 29 29 LEU H H 29 7.173 7.173 7.638 -0.465 19642 2721 1 6 . 1 1 30 30 GLU N N 30 121.321 121.321 119.911 1.410 19642 2722 1 6 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.459 -0.671 19642 2723 1 6 . 1 1 30 30 GLU C C 30 179.497 179.497 178.555 0.942 19642 2724 1 6 . 1 1 30 30 GLU CA C 30 60.299 60.299 58.995 1.304 19642 2725 1 6 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.921 -0.249 19642 2726 1 6 . 1 1 30 30 GLU H H 30 8.632 8.632 7.868 0.764 19642 2727 1 6 . 1 1 31 31 GLU N N 31 118.162 118.162 120.406 -2.244 19642 2728 1 6 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.113 -0.046 19642 2729 1 6 . 1 1 31 31 GLU C C 31 179.635 179.635 178.075 1.560 19642 2730 1 6 . 1 1 31 31 GLU CA C 31 59.357 59.357 59.288 0.068 19642 2731 1 6 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.413 0.083 19642 2732 1 6 . 1 1 31 31 GLU H H 31 8.405 8.405 8.562 -0.157 19642 2733 1 6 . 1 1 32 32 PHE N N 32 120.127 120.127 119.101 1.026 19642 2734 1 6 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.084 0.269 19642 2735 1 6 . 1 1 32 32 PHE C C 32 177.183 177.183 177.342 -0.159 19642 2736 1 6 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.774 0.167 19642 2737 1 6 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.707 1.215 19642 2738 1 6 . 1 1 32 32 PHE H H 32 7.767 7.767 8.059 -0.292 19642 2739 1 6 . 1 1 33 33 PHE N N 33 112.879 112.879 116.601 -3.722 19642 2740 1 6 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.023 0.228 19642 2741 1 6 . 1 1 33 33 PHE C C 33 177.304 177.304 178.173 -0.869 19642 2742 1 6 . 1 1 33 33 PHE CA C 33 61.179 61.179 60.190 0.989 19642 2743 1 6 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.332 0.248 19642 2744 1 6 . 1 1 33 33 PHE H H 33 8.489 8.489 7.752 0.737 19642 2745 1 6 . 1 1 34 34 SER N N 34 115.870 115.870 115.288 0.582 19642 2746 1 6 . 1 1 34 34 SER HA H 34 5.119 5.119 4.638 0.481 19642 2747 1 6 . 1 1 34 34 SER C C 34 175.464 175.464 176.165 -0.701 19642 2748 1 6 . 1 1 34 34 SER CA C 34 61.268 61.268 60.119 1.149 19642 2749 1 6 . 1 1 34 34 SER CB C 34 62.915 62.915 62.944 -0.029 19642 2750 1 6 . 1 1 34 34 SER H H 34 7.997 7.997 8.127 -0.130 19642 2751 1 6 . 1 1 35 35 THR N N 35 110.934 110.934 116.096 -5.162 19642 2752 1 6 . 1 1 35 35 THR HA H 35 4.147 4.147 4.167 -0.020 19642 2753 1 6 . 1 1 35 35 THR C C 35 176.410 176.410 175.386 1.024 19642 2754 1 6 . 1 1 35 35 THR CA C 35 63.756 63.756 65.159 -1.403 19642 2755 1 6 . 1 1 35 35 THR CB C 35 68.802 68.802 69.291 -0.489 19642 2756 1 6 . 1 1 35 35 THR H H 35 7.188 7.188 7.746 -0.558 19642 2757 1 6 . 1 1 36 36 VAL N N 36 111.644 111.644 118.598 -6.954 19642 2758 1 6 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.436 0.187 19642 2759 1 6 . 1 1 36 36 VAL C C 36 176.046 176.046 175.160 0.886 19642 2760 1 6 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.372 -0.900 19642 2761 1 6 . 1 1 36 36 VAL CB C 36 32.425 32.425 33.942 -1.517 19642 2762 1 6 . 1 1 36 36 VAL H H 36 7.665 7.665 7.767 -0.102 19642 2763 1 6 . 1 1 37 37 GLY N N 37 109.343 109.343 107.226 2.117 19642 2764 1 6 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.792 -0.523 19642 2765 1 6 . 1 1 37 37 GLY H H 37 7.640 7.640 7.694 -0.054 19642 2766 1 6 . 1 1 38 38 LYS N N 38 117.953 117.953 119.365 -1.412 19642 2767 1 6 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.528 0.011 19642 2768 1 6 . 1 1 38 38 LYS CA C 38 55.724 55.724 54.890 0.834 19642 2769 1 6 . 1 1 38 38 LYS CB C 38 32.875 32.875 34.705 -1.830 19642 2770 1 6 . 1 1 38 38 LYS H H 38 8.246 8.246 8.307 -0.061 19642 2771 1 6 . 1 1 39 39 VAL N N 39 128.639 128.639 122.883 5.756 19642 2772 1 6 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.739 -0.054 19642 2773 1 6 . 1 1 39 39 VAL CA C 39 62.816 62.816 60.087 2.729 19642 2774 1 6 . 1 1 39 39 VAL CB C 39 32.992 32.992 35.239 -2.247 19642 2775 1 6 . 1 1 39 39 VAL H H 39 9.126 9.126 8.216 0.910 19642 2776 1 6 . 1 1 40 40 ARG N N 40 129.292 129.292 126.658 2.634 19642 2777 1 6 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.566 -0.287 19642 2778 1 6 . 1 1 40 40 ARG C C 40 175.643 175.643 175.659 -0.016 19642 2779 1 6 . 1 1 40 40 ARG CA C 40 56.334 56.334 56.682 -0.348 19642 2780 1 6 . 1 1 40 40 ARG CB C 40 31.660 31.660 32.257 -0.597 19642 2781 1 6 . 1 1 40 40 ARG H H 40 9.573 9.573 8.922 0.651 19642 2782 1 6 . 1 1 41 41 ASP N N 41 116.255 116.255 113.721 2.534 19642 2783 1 6 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.746 0.094 19642 2784 1 6 . 1 1 41 41 ASP C C 41 173.674 173.674 173.376 0.298 19642 2785 1 6 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.703 0.002 19642 2786 1 6 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.054 0.849 19642 2787 1 6 . 1 1 41 41 ASP H H 41 7.762 7.762 7.885 -0.123 19642 2788 1 6 . 1 1 42 42 VAL N N 42 122.442 122.442 119.555 2.887 19642 2789 1 6 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.736 -0.101 19642 2790 1 6 . 1 1 42 42 VAL C C 42 174.714 174.714 173.973 0.741 19642 2791 1 6 . 1 1 42 42 VAL CA C 42 61.274 61.274 60.440 0.834 19642 2792 1 6 . 1 1 42 42 VAL CB C 42 34.832 34.832 35.132 -0.300 19642 2793 1 6 . 1 1 42 42 VAL H H 42 7.939 7.939 8.420 -0.481 19642 2794 1 6 . 1 1 43 43 ARG N N 43 126.687 126.687 126.768 -0.081 19642 2795 1 6 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.742 0.023 19642 2796 1 6 . 1 1 43 43 ARG C C 43 175.278 175.278 174.542 0.736 19642 2797 1 6 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.743 -0.365 19642 2798 1 6 . 1 1 43 43 ARG CB C 43 32.434 32.434 34.081 -1.647 19642 2799 1 6 . 1 1 43 43 ARG H H 43 9.171 9.171 9.025 0.146 19642 2800 1 6 . 1 1 44 44 MET N N 44 123.092 123.092 118.073 5.019 19642 2801 1 6 . 1 1 44 44 MET HA H 44 4.906 4.906 5.221 -0.315 19642 2802 1 6 . 1 1 44 44 MET C C 44 176.360 176.360 175.806 0.554 19642 2803 1 6 . 1 1 44 44 MET CA C 44 53.152 53.152 54.812 -1.660 19642 2804 1 6 . 1 1 44 44 MET CB C 44 32.940 32.940 35.576 -2.636 19642 2805 1 6 . 1 1 44 44 MET H H 44 8.939 8.939 8.384 0.555 19642 2806 1 6 . 1 1 45 45 ILE N N 45 124.146 124.146 125.830 -1.684 19642 2807 1 6 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.210 0.250 19642 2808 1 6 . 1 1 45 45 ILE C C 45 175.961 175.961 175.653 0.308 19642 2809 1 6 . 1 1 45 45 ILE CA C 45 59.947 59.947 61.059 -1.112 19642 2810 1 6 . 1 1 45 45 ILE CB C 45 38.193 38.193 35.987 2.206 19642 2811 1 6 . 1 1 45 45 ILE H H 45 8.319 8.319 8.493 -0.174 19642 2812 1 6 . 1 1 46 46 SER N N 46 121.541 121.541 124.543 -3.002 19642 2813 1 6 . 1 1 46 46 SER HA H 46 4.709 4.709 4.516 0.193 19642 2814 1 6 . 1 1 46 46 SER C C 46 174.061 174.061 173.724 0.337 19642 2815 1 6 . 1 1 46 46 SER CA C 46 57.381 57.381 59.119 -1.738 19642 2816 1 6 . 1 1 46 46 SER CB C 46 64.273 64.273 62.467 1.806 19642 2817 1 6 . 1 1 46 46 SER H H 46 8.653 8.653 8.223 0.430 19642 2818 1 6 . 1 1 47 47 ASP N N 47 123.132 123.132 126.385 -3.253 19642 2819 1 6 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.981 -0.323 19642 2820 1 6 . 1 1 47 47 ASP C C 47 177.203 177.203 174.976 2.227 19642 2821 1 6 . 1 1 47 47 ASP CA C 47 53.662 53.662 53.224 0.438 19642 2822 1 6 . 1 1 47 47 ASP CB C 47 41.920 41.920 43.355 -1.435 19642 2823 1 6 . 1 1 47 47 ASP H H 47 8.598 8.598 8.064 0.534 19642 2824 1 6 . 1 1 48 48 ARG N N 48 122.881 122.881 118.757 4.124 19642 2825 1 6 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.424 -0.217 19642 2826 1 6 . 1 1 48 48 ARG C C 48 177.090 177.090 175.465 1.625 19642 2827 1 6 . 1 1 48 48 ARG CA C 48 57.206 57.206 56.621 0.585 19642 2828 1 6 . 1 1 48 48 ARG CB C 48 29.775 29.775 32.233 -2.458 19642 2829 1 6 . 1 1 48 48 ARG H H 48 8.648 8.648 8.305 0.343 19642 2830 1 6 . 1 1 49 49 ASN N N 49 117.245 117.245 117.880 -0.635 19642 2831 1 6 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.900 -0.154 19642 2832 1 6 . 1 1 49 49 ASN C C 49 175.822 175.822 174.384 1.438 19642 2833 1 6 . 1 1 49 49 ASN CA C 49 53.592 53.592 53.344 0.248 19642 2834 1 6 . 1 1 49 49 ASN CB C 49 38.910 38.910 39.400 -0.490 19642 2835 1 6 . 1 1 49 49 ASN H H 49 8.502 8.502 8.228 0.274 19642 2836 1 6 . 1 1 50 50 SER N N 50 114.891 114.891 117.151 -2.260 19642 2837 1 6 . 1 1 50 50 SER HA H 50 4.429 4.429 4.682 -0.253 19642 2838 1 6 . 1 1 50 50 SER C C 50 175.339 175.339 173.876 1.463 19642 2839 1 6 . 1 1 50 50 SER CA C 50 58.396 58.396 59.160 -0.764 19642 2840 1 6 . 1 1 50 50 SER CB C 50 63.681 63.681 64.841 -1.160 19642 2841 1 6 . 1 1 50 50 SER H H 50 8.158 8.158 8.867 -0.709 19642 2842 1 6 . 1 1 51 51 ARG N N 51 120.957 120.957 121.217 -0.260 19642 2843 1 6 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.552 -0.263 19642 2844 1 6 . 1 1 51 51 ARG C C 51 176.845 176.845 176.565 0.280 19642 2845 1 6 . 1 1 51 51 ARG CA C 51 56.672 56.672 55.783 0.889 19642 2846 1 6 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.406 -0.786 19642 2847 1 6 . 1 1 51 51 ARG H H 51 8.451 8.451 8.781 -0.330 19642 2848 1 6 . 1 1 52 52 ARG N N 52 119.405 119.405 120.942 -1.537 19642 2849 1 6 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.228 0.192 19642 2850 1 6 . 1 1 52 52 ARG CA C 52 55.765 55.765 58.808 -3.043 19642 2851 1 6 . 1 1 52 52 ARG CB C 52 30.875 30.875 30.346 0.529 19642 2852 1 6 . 1 1 52 52 ARG H H 52 8.159 8.159 8.400 -0.241 19642 2853 1 6 . 1 1 53 53 SER N N 53 116.328 116.328 110.001 6.327 19642 2854 1 6 . 1 1 53 53 SER HA H 53 4.492 4.492 4.184 0.308 19642 2855 1 6 . 1 1 53 53 SER CA C 53 58.142 58.142 58.678 -0.536 19642 2856 1 6 . 1 1 53 53 SER CB C 53 63.447 63.447 62.378 1.069 19642 2857 1 6 . 1 1 53 53 SER H H 53 8.370 8.370 8.483 -0.113 19642 2858 1 6 . 1 1 54 54 LYS N N 54 122.099 122.099 111.686 10.413 19642 2859 1 6 . 1 1 54 54 LYS HA H 54 4.499 4.499 3.884 0.615 19642 2860 1 6 . 1 1 54 54 LYS CA C 54 55.563 55.563 56.441 -0.878 19642 2861 1 6 . 1 1 54 54 LYS CB C 54 33.079 33.079 29.545 3.534 19642 2862 1 6 . 1 1 54 54 LYS H H 54 8.374 8.374 8.010 0.364 19642 2863 1 6 . 1 1 55 55 GLY N N 55 109.513 109.513 106.109 3.404 19642 2864 1 6 . 1 1 55 55 GLY C C 55 172.962 172.962 172.477 0.485 19642 2865 1 6 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.958 0.936 19642 2866 1 6 . 1 1 55 55 GLY H H 55 8.592 8.592 8.375 0.217 19642 2867 1 6 . 1 1 56 56 ILE N N 56 114.180 114.180 118.952 -4.772 19642 2868 1 6 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.429 -0.417 19642 2869 1 6 . 1 1 56 56 ILE C C 56 175.172 175.172 173.976 1.196 19642 2870 1 6 . 1 1 56 56 ILE CA C 56 58.731 58.731 57.660 1.071 19642 2871 1 6 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.318 0.844 19642 2872 1 6 . 1 1 56 56 ILE H H 56 7.618 7.618 7.915 -0.297 19642 2873 1 6 . 1 1 57 57 ALA N N 57 121.556 121.556 125.233 -3.677 19642 2874 1 6 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.144 -0.024 19642 2875 1 6 . 1 1 57 57 ALA C C 57 175.094 175.094 175.026 0.068 19642 2876 1 6 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.716 -1.017 19642 2877 1 6 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.885 1.285 19642 2878 1 6 . 1 1 57 57 ALA H H 57 8.308 8.308 8.371 -0.063 19642 2879 1 6 . 1 1 58 58 TYR N N 58 118.387 118.387 118.540 -0.153 19642 2880 1 6 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.522 -0.041 19642 2881 1 6 . 1 1 58 58 TYR C C 58 175.537 175.537 174.894 0.643 19642 2882 1 6 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.428 0.086 19642 2883 1 6 . 1 1 58 58 TYR CB C 58 40.607 40.607 42.645 -2.038 19642 2884 1 6 . 1 1 58 58 TYR H H 58 8.971 8.971 8.302 0.669 19642 2885 1 6 . 1 1 59 59 VAL N N 59 122.978 122.978 119.929 3.049 19642 2886 1 6 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.688 -0.312 19642 2887 1 6 . 1 1 59 59 VAL C C 59 172.631 172.631 174.687 -2.056 19642 2888 1 6 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.275 -0.058 19642 2889 1 6 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.061 -0.486 19642 2890 1 6 . 1 1 59 59 VAL H H 59 8.828 8.828 8.833 -0.005 19642 2891 1 6 . 1 1 60 60 GLU N N 60 128.557 128.557 128.165 0.392 19642 2892 1 6 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.588 0.263 19642 2893 1 6 . 1 1 60 60 GLU C C 60 176.210 176.210 175.486 0.724 19642 2894 1 6 . 1 1 60 60 GLU CA C 60 53.842 53.842 54.615 -0.773 19642 2895 1 6 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.417 2.686 19642 2896 1 6 . 1 1 60 60 GLU H H 60 8.774 8.774 8.779 -0.005 19642 2897 1 6 . 1 1 61 61 PHE N N 61 126.659 126.659 124.972 1.687 19642 2898 1 6 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.202 0.714 19642 2899 1 6 . 1 1 61 61 PHE C C 61 176.011 176.011 176.550 -0.539 19642 2900 1 6 . 1 1 61 61 PHE CA C 61 58.586 58.586 59.926 -1.340 19642 2901 1 6 . 1 1 61 61 PHE CB C 61 41.038 41.038 39.743 1.295 19642 2902 1 6 . 1 1 61 61 PHE H H 61 9.340 9.340 8.229 1.111 19642 2903 1 6 . 1 1 62 62 VAL N N 62 118.280 118.280 119.811 -1.531 19642 2904 1 6 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.824 -0.081 19642 2905 1 6 . 1 1 62 62 VAL C C 62 176.097 176.097 175.584 0.513 19642 2906 1 6 . 1 1 62 62 VAL CA C 62 65.785 65.785 65.078 0.707 19642 2907 1 6 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.218 0.593 19642 2908 1 6 . 1 1 62 62 VAL H H 62 8.184 8.184 7.931 0.253 19642 2909 1 6 . 1 1 63 63 ASP N N 63 118.269 118.269 116.192 2.077 19642 2910 1 6 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.972 0.220 19642 2911 1 6 . 1 1 63 63 ASP C C 63 176.648 176.648 176.019 0.629 19642 2912 1 6 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.933 -0.294 19642 2913 1 6 . 1 1 63 63 ASP CB C 63 44.569 44.569 44.445 0.124 19642 2914 1 6 . 1 1 63 63 ASP H H 63 8.708 8.708 7.996 0.712 19642 2915 1 6 . 1 1 64 64 VAL N N 64 121.961 121.961 124.084 -2.123 19642 2916 1 6 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.917 -0.106 19642 2917 1 6 . 1 1 64 64 VAL C C 64 178.439 178.439 176.904 1.535 19642 2918 1 6 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.636 0.183 19642 2919 1 6 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.056 -0.006 19642 2920 1 6 . 1 1 64 64 VAL H H 64 8.609 8.609 8.642 -0.033 19642 2921 1 6 . 1 1 65 65 SER N N 65 115.305 115.305 115.519 -0.214 19642 2922 1 6 . 1 1 65 65 SER HA H 65 4.143 4.143 4.235 -0.092 19642 2923 1 6 . 1 1 65 65 SER C C 65 176.285 176.285 175.716 0.569 19642 2924 1 6 . 1 1 65 65 SER CA C 65 60.158 60.158 60.794 -0.636 19642 2925 1 6 . 1 1 65 65 SER CB C 65 62.066 62.066 62.876 -0.809 19642 2926 1 6 . 1 1 65 65 SER H H 65 8.492 8.492 8.560 -0.068 19642 2927 1 6 . 1 1 66 66 SER N N 66 116.053 116.053 115.770 0.283 19642 2928 1 6 . 1 1 66 66 SER HA H 66 4.024 4.024 4.476 -0.452 19642 2929 1 6 . 1 1 66 66 SER C C 66 174.528 174.528 174.985 -0.457 19642 2930 1 6 . 1 1 66 66 SER CA C 66 60.749 60.749 59.447 1.302 19642 2931 1 6 . 1 1 66 66 SER CB C 66 63.063 63.063 63.650 -0.587 19642 2932 1 6 . 1 1 66 66 SER H H 66 7.414 7.414 7.631 -0.217 19642 2933 1 6 . 1 1 67 67 VAL N N 67 119.830 119.830 123.242 -3.412 19642 2934 1 6 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.618 -0.298 19642 2935 1 6 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.651 0.387 19642 2936 1 6 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.646 -0.449 19642 2937 1 6 . 1 1 67 67 VAL H H 67 7.611 7.611 8.080 -0.469 19642 2938 1 6 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.215 0.050 19642 2939 1 6 . 1 1 68 68 PRO C C 68 180.457 180.457 178.189 2.268 19642 2940 1 6 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.460 -0.388 19642 2941 1 6 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.348 -0.610 19642 2942 1 6 . 1 1 69 69 LEU N N 69 115.334 115.334 118.671 -3.337 19642 2943 1 6 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.081 0.018 19642 2944 1 6 . 1 1 69 69 LEU C C 69 179.450 179.450 178.470 0.980 19642 2945 1 6 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.028 -0.586 19642 2946 1 6 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.771 -0.649 19642 2947 1 6 . 1 1 69 69 LEU H H 69 6.284 6.284 7.629 -1.345 19642 2948 1 6 . 1 1 70 70 ALA N N 70 122.703 122.703 121.919 0.784 19642 2949 1 6 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.235 -0.060 19642 2950 1 6 . 1 1 70 70 ALA C C 70 180.611 180.611 180.024 0.587 19642 2951 1 6 . 1 1 70 70 ALA CA C 70 54.895 54.895 55.095 -0.200 19642 2952 1 6 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.915 1.629 19642 2953 1 6 . 1 1 70 70 ALA H H 70 8.342 8.342 7.501 0.841 19642 2954 1 6 . 1 1 71 71 ILE N N 71 118.692 118.692 118.610 0.082 19642 2955 1 6 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.801 0.464 19642 2956 1 6 . 1 1 71 71 ILE C C 71 179.971 179.971 178.281 1.690 19642 2957 1 6 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.247 0.870 19642 2958 1 6 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.585 1.015 19642 2959 1 6 . 1 1 71 71 ILE H H 71 8.255 8.255 7.241 1.014 19642 2960 1 6 . 1 1 72 72 GLY N N 72 106.417 106.417 106.742 -0.325 19642 2961 1 6 . 1 1 72 72 GLY C C 72 174.590 174.590 175.167 -0.577 19642 2962 1 6 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.605 -0.714 19642 2963 1 6 . 1 1 72 72 GLY H H 72 7.635 7.635 7.916 -0.281 19642 2964 1 6 . 1 1 73 73 LEU N N 73 120.383 120.383 119.709 0.674 19642 2965 1 6 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.657 -0.246 19642 2966 1 6 . 1 1 73 73 LEU C C 73 176.338 176.338 178.312 -1.974 19642 2967 1 6 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.372 0.577 19642 2968 1 6 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.196 -1.603 19642 2969 1 6 . 1 1 73 73 LEU H H 73 7.767 7.767 7.682 0.085 19642 2970 1 6 . 1 1 74 74 THR N N 74 115.157 115.157 117.217 -2.060 19642 2971 1 6 . 1 1 74 74 THR HA H 74 4.060 4.060 4.132 -0.072 19642 2972 1 6 . 1 1 74 74 THR C C 74 175.656 175.656 176.054 -0.398 19642 2973 1 6 . 1 1 74 74 THR CA C 74 66.177 66.177 67.120 -0.943 19642 2974 1 6 . 1 1 74 74 THR CB C 74 69.821 69.821 68.735 1.086 19642 2975 1 6 . 1 1 74 74 THR H H 74 7.731 7.731 7.610 0.121 19642 2976 1 6 . 1 1 75 75 GLY N N 75 117.587 117.587 106.929 10.658 19642 2977 1 6 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.494 0.131 19642 2978 1 6 . 1 1 75 75 GLY H H 75 9.519 9.519 8.543 0.976 19642 2979 1 6 . 1 1 76 76 GLN N N 76 120.027 120.027 120.149 -0.122 19642 2980 1 6 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.428 -0.114 19642 2981 1 6 . 1 1 76 76 GLN C C 76 175.015 175.015 174.976 0.039 19642 2982 1 6 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.558 0.261 19642 2983 1 6 . 1 1 76 76 GLN CB C 76 28.220 28.220 29.815 -1.595 19642 2984 1 6 . 1 1 76 76 GLN H H 76 8.319 8.319 7.623 0.696 19642 2985 1 6 . 1 1 77 77 ARG N N 77 118.759 118.759 115.414 3.345 19642 2986 1 6 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.498 -0.367 19642 2987 1 6 . 1 1 77 77 ARG C C 77 176.209 176.209 174.727 1.482 19642 2988 1 6 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.321 0.770 19642 2989 1 6 . 1 1 77 77 ARG CB C 77 31.364 31.364 31.849 -0.485 19642 2990 1 6 . 1 1 77 77 ARG H H 77 8.544 8.544 8.368 0.176 19642 2991 1 6 . 1 1 78 78 VAL N N 78 123.886 123.886 125.879 -1.993 19642 2992 1 6 . 1 1 78 78 VAL HA H 78 3.835 3.835 4.011 -0.176 19642 2993 1 6 . 1 1 78 78 VAL C C 78 176.570 176.570 176.109 0.461 19642 2994 1 6 . 1 1 78 78 VAL CA C 78 61.470 61.470 62.244 -0.774 19642 2995 1 6 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.324 0.878 19642 2996 1 6 . 1 1 78 78 VAL H H 78 8.015 8.015 8.512 -0.497 19642 2997 1 6 . 1 1 79 79 LEU N N 79 129.331 129.331 127.188 2.143 19642 2998 1 6 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.941 -0.109 19642 2999 1 6 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.776 -0.003 19642 3000 1 6 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.930 -0.389 19642 3001 1 6 . 1 1 79 79 LEU H H 79 9.570 9.570 8.830 0.740 19642 3002 1 6 . 1 1 80 80 GLY N N 80 100.301 100.301 103.051 -2.750 19642 3003 1 6 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.557 0.672 19642 3004 1 6 . 1 1 80 80 GLY H H 80 8.316 8.316 7.835 0.481 19642 3005 1 6 . 1 1 81 81 VAL N N 81 122.763 122.763 123.158 -0.395 19642 3006 1 6 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.497 0.140 19642 3007 1 6 . 1 1 81 81 VAL CA C 81 59.355 59.355 59.294 0.061 19642 3008 1 6 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.415 3.482 19642 3009 1 6 . 1 1 81 81 VAL H H 81 7.632 7.632 7.864 -0.232 19642 3010 1 6 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.429 -0.097 19642 3011 1 6 . 1 1 82 82 PRO C C 82 175.005 175.005 175.596 -0.591 19642 3012 1 6 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.474 0.029 19642 3013 1 6 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.680 -1.400 19642 3014 1 6 . 1 1 83 83 ILE N N 83 126.022 126.022 117.905 8.117 19642 3015 1 6 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.365 0.261 19642 3016 1 6 . 1 1 83 83 ILE C C 83 175.679 175.679 175.049 0.630 19642 3017 1 6 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.319 2.650 19642 3018 1 6 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.583 -0.670 19642 3019 1 6 . 1 1 83 83 ILE H H 83 8.391 8.391 7.541 0.850 19642 3020 1 6 . 1 1 84 84 ILE N N 84 125.284 125.284 122.593 2.691 19642 3021 1 6 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.275 0.158 19642 3022 1 6 . 1 1 84 84 ILE C C 84 174.418 174.418 177.202 -2.784 19642 3023 1 6 . 1 1 84 84 ILE CA C 84 61.313 61.313 58.756 2.557 19642 3024 1 6 . 1 1 84 84 ILE CB C 84 39.900 39.900 37.822 2.078 19642 3025 1 6 . 1 1 84 84 ILE H H 84 7.842 7.842 8.563 -0.721 19642 3026 1 6 . 1 1 85 85 VAL N N 85 128.143 128.143 126.133 2.010 19642 3027 1 6 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.650 -0.033 19642 3028 1 6 . 1 1 85 85 VAL CA C 85 64.887 64.887 65.288 -0.401 19642 3029 1 6 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.825 2.244 19642 3030 1 6 . 1 1 85 85 VAL H H 85 8.400 8.400 8.666 -0.266 19642 3031 1 6 . 1 1 86 86 GLN N N 86 122.965 122.965 117.780 5.185 19642 3032 1 6 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.141 0.762 19642 3033 1 6 . 1 1 86 86 GLN C C 86 175.590 175.590 176.318 -0.728 19642 3034 1 6 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.729 3.027 19642 3035 1 6 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.968 5.045 19642 3036 1 6 . 1 1 86 86 GLN H H 86 9.242 9.242 8.071 1.171 19642 3037 1 6 . 1 1 87 87 ALA N N 87 123.174 123.174 119.333 3.841 19642 3038 1 6 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.118 0.238 19642 3039 1 6 . 1 1 87 87 ALA C C 87 178.095 178.095 176.933 1.162 19642 3040 1 6 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.368 0.457 19642 3041 1 6 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.126 0.408 19642 3042 1 6 . 1 1 87 87 ALA H H 87 8.907 8.907 8.326 0.581 19642 3043 1 6 . 1 1 88 88 SER N N 88 114.952 114.952 112.960 1.992 19642 3044 1 6 . 1 1 88 88 SER HA H 88 4.294 4.294 4.128 0.166 19642 3045 1 6 . 1 1 88 88 SER C C 88 175.470 175.470 173.487 1.983 19642 3046 1 6 . 1 1 88 88 SER CA C 88 59.617 59.617 59.876 -0.258 19642 3047 1 6 . 1 1 88 88 SER CB C 88 63.409 63.409 63.308 0.101 19642 3048 1 6 . 1 1 88 88 SER H H 88 8.343 8.343 8.290 0.053 19642 3049 1 6 . 1 1 89 89 GLN N N 89 121.151 121.151 119.185 1.966 19642 3050 1 6 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.074 0.239 19642 3051 1 6 . 1 1 89 89 GLN C C 89 175.838 175.838 174.172 1.666 19642 3052 1 6 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.850 -1.564 19642 3053 1 6 . 1 1 89 89 GLN CB C 89 29.333 29.333 27.721 1.612 19642 3054 1 6 . 1 1 89 89 GLN H H 89 8.348 8.348 8.539 -0.191 19642 3055 1 6 . 1 1 90 90 ALA N N 90 124.942 124.942 123.468 1.474 19642 3056 1 6 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.612 -0.409 19642 3057 1 6 . 1 1 90 90 ALA C C 90 178.381 178.381 176.151 2.230 19642 3058 1 6 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.828 0.934 19642 3059 1 6 . 1 1 90 90 ALA CB C 90 19.071 19.071 21.169 -2.098 19642 3060 1 6 . 1 1 90 90 ALA H H 90 8.245 8.245 7.810 0.435 19642 3061 1 6 . 1 1 91 91 GLU N N 91 119.604 119.604 119.510 0.094 19642 3062 1 6 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.374 -0.221 19642 3063 1 6 . 1 1 91 91 GLU C C 91 176.986 176.986 175.800 1.186 19642 3064 1 6 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.340 0.195 19642 3065 1 6 . 1 1 91 91 GLU CB C 91 30.029 30.029 29.969 0.060 19642 3066 1 6 . 1 1 91 91 GLU H H 91 8.414 8.414 8.501 -0.087 19642 3067 1 6 . 1 1 92 92 LYS N N 92 121.284 121.284 120.882 0.402 19642 3068 1 6 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.314 -0.024 19642 3069 1 6 . 1 1 92 92 LYS C C 92 176.699 176.699 175.965 0.734 19642 3070 1 6 . 1 1 92 92 LYS CA C 92 56.042 56.042 56.665 -0.623 19642 3071 1 6 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.006 -0.301 19642 3072 1 6 . 1 1 92 92 LYS H H 92 8.212 8.212 7.913 0.299 19642 3073 1 6 . 1 1 93 93 ASN N N 93 119.221 119.221 118.733 0.488 19642 3074 1 6 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.821 -0.121 19642 3075 1 6 . 1 1 93 93 ASN C C 93 174.424 174.424 174.990 -0.566 19642 3076 1 6 . 1 1 93 93 ASN CA C 93 53.110 53.110 52.565 0.546 19642 3077 1 6 . 1 1 93 93 ASN CB C 93 38.726 38.726 39.959 -1.233 19642 3078 1 6 . 1 1 93 93 ASN H H 93 8.370 8.370 8.288 0.082 19642 3079 1 7 . 1 1 2 2 HIS HA H 2 4.693 4.693 5.326 -0.633 19642 3080 1 7 . 1 1 2 2 HIS C C 2 175.244 175.244 174.251 0.993 19642 3081 1 7 . 1 1 2 2 HIS CA C 2 55.849 55.849 54.814 1.035 19642 3082 1 7 . 1 1 2 2 HIS CB C 2 30.165 30.165 32.373 -2.208 19642 3083 1 7 . 1 1 3 3 MET HA H 3 4.464 4.464 4.617 -0.153 19642 3084 1 7 . 1 1 3 3 MET C C 3 175.896 175.896 174.430 1.466 19642 3085 1 7 . 1 1 3 3 MET CA C 3 55.188 55.188 55.675 -0.487 19642 3086 1 7 . 1 1 3 3 MET CB C 3 32.736 32.736 32.947 -0.211 19642 3087 1 7 . 1 1 4 4 ASN N N 4 120.610 120.610 119.261 1.349 19642 3088 1 7 . 1 1 4 4 ASN HA H 4 4.752 4.752 5.131 -0.379 19642 3089 1 7 . 1 1 4 4 ASN C C 4 175.033 175.033 172.952 2.081 19642 3090 1 7 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.550 -0.821 19642 3091 1 7 . 1 1 4 4 ASN CB C 4 38.604 38.604 43.134 -4.530 19642 3092 1 7 . 1 1 4 4 ASN H H 4 8.564 8.564 8.623 -0.059 19642 3093 1 7 . 1 1 5 5 LEU N N 5 122.314 122.314 123.438 -1.124 19642 3094 1 7 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.827 -0.217 19642 3095 1 7 . 1 1 5 5 LEU C C 5 178.178 178.178 176.644 1.534 19642 3096 1 7 . 1 1 5 5 LEU CA C 5 54.305 54.305 53.988 0.317 19642 3097 1 7 . 1 1 5 5 LEU CB C 5 43.343 43.343 44.473 -1.130 19642 3098 1 7 . 1 1 5 5 LEU H H 5 8.046 8.046 8.594 -0.548 19642 3099 1 7 . 1 1 6 6 THR N N 6 115.483 115.483 117.677 -2.194 19642 3100 1 7 . 1 1 6 6 THR HA H 6 4.626 4.626 4.641 -0.015 19642 3101 1 7 . 1 1 6 6 THR CA C 6 60.039 60.039 59.793 0.246 19642 3102 1 7 . 1 1 6 6 THR CB C 6 68.119 68.119 68.630 -0.511 19642 3103 1 7 . 1 1 6 6 THR H H 6 8.948 8.948 8.876 0.072 19642 3104 1 7 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.153 -0.010 19642 3105 1 7 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.582 -0.009 19642 3106 1 7 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.841 -0.201 19642 3107 1 7 . 1 1 8 8 GLU N N 8 116.691 116.691 118.082 -1.391 19642 3108 1 7 . 1 1 8 8 GLU HA H 8 4.111 4.111 3.937 0.174 19642 3109 1 7 . 1 1 8 8 GLU CA C 8 59.572 59.572 60.076 -0.504 19642 3110 1 7 . 1 1 8 8 GLU CB C 8 28.889 28.889 28.999 -0.110 19642 3111 1 7 . 1 1 8 8 GLU H H 8 8.753 8.753 8.784 -0.031 19642 3112 1 7 . 1 1 9 9 GLU N N 9 121.235 121.235 119.131 2.104 19642 3113 1 7 . 1 1 9 9 GLU HA H 9 4.041 4.041 3.924 0.117 19642 3114 1 7 . 1 1 9 9 GLU C C 9 180.194 180.194 178.800 1.394 19642 3115 1 7 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.526 -1.000 19642 3116 1 7 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.447 1.119 19642 3117 1 7 . 1 1 9 9 GLU H H 9 7.823 7.823 7.680 0.143 19642 3118 1 7 . 1 1 10 10 ARG N N 10 120.373 120.373 118.517 1.856 19642 3119 1 7 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.073 -0.186 19642 3120 1 7 . 1 1 10 10 ARG C C 10 180.714 180.714 178.457 2.257 19642 3121 1 7 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.968 0.817 19642 3122 1 7 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.288 -0.417 19642 3123 1 7 . 1 1 10 10 ARG H H 10 8.363 8.363 7.394 0.969 19642 3124 1 7 . 1 1 11 11 ASP N N 11 123.103 123.103 119.339 3.764 19642 3125 1 7 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.494 -0.180 19642 3126 1 7 . 1 1 11 11 ASP C C 11 179.081 179.081 177.951 1.130 19642 3127 1 7 . 1 1 11 11 ASP CA C 11 57.683 57.683 57.051 0.632 19642 3128 1 7 . 1 1 11 11 ASP CB C 11 40.022 40.022 40.798 -0.776 19642 3129 1 7 . 1 1 11 11 ASP H H 11 8.709 8.709 7.934 0.775 19642 3130 1 7 . 1 1 12 12 ALA N N 12 119.926 119.926 121.810 -1.884 19642 3131 1 7 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.105 0.138 19642 3132 1 7 . 1 1 12 12 ALA C C 12 177.593 177.593 177.691 -0.098 19642 3133 1 7 . 1 1 12 12 ALA CA C 12 53.808 53.808 54.060 -0.252 19642 3134 1 7 . 1 1 12 12 ALA CB C 12 18.341 18.341 19.256 -0.915 19642 3135 1 7 . 1 1 12 12 ALA H H 12 7.615 7.615 8.001 -0.386 19642 3136 1 7 . 1 1 13 13 ARG N N 13 113.504 113.504 116.427 -2.923 19642 3137 1 7 . 1 1 13 13 ARG HA H 13 4.427 4.427 3.999 0.428 19642 3138 1 7 . 1 1 13 13 ARG C C 13 174.905 174.905 174.688 0.217 19642 3139 1 7 . 1 1 13 13 ARG CA C 13 55.588 55.588 56.886 -1.298 19642 3140 1 7 . 1 1 13 13 ARG CB C 13 30.789 30.789 28.113 2.676 19642 3141 1 7 . 1 1 13 13 ARG H H 13 7.204 7.204 7.879 -0.675 19642 3142 1 7 . 1 1 14 14 THR N N 14 117.103 117.103 111.501 5.602 19642 3143 1 7 . 1 1 14 14 THR HA H 14 5.589 5.589 5.212 0.377 19642 3144 1 7 . 1 1 14 14 THR C C 14 174.610 174.610 173.534 1.076 19642 3145 1 7 . 1 1 14 14 THR CA C 14 61.993 61.993 61.007 0.986 19642 3146 1 7 . 1 1 14 14 THR CB C 14 70.185 70.185 72.802 -2.618 19642 3147 1 7 . 1 1 14 14 THR H H 14 7.685 7.685 7.914 -0.229 19642 3148 1 7 . 1 1 15 15 VAL N N 15 117.127 117.127 115.609 1.518 19642 3149 1 7 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.591 0.489 19642 3150 1 7 . 1 1 15 15 VAL C C 15 173.786 173.786 174.174 -0.388 19642 3151 1 7 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.447 -0.862 19642 3152 1 7 . 1 1 15 15 VAL CB C 15 33.823 33.823 34.390 -0.567 19642 3153 1 7 . 1 1 15 15 VAL H H 15 9.154 9.154 8.774 0.380 19642 3154 1 7 . 1 1 16 16 PHE N N 16 122.697 122.697 121.065 1.632 19642 3155 1 7 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.973 0.209 19642 3156 1 7 . 1 1 16 16 PHE C C 16 174.520 174.520 174.646 -0.126 19642 3157 1 7 . 1 1 16 16 PHE CA C 16 54.981 54.981 55.626 -0.645 19642 3158 1 7 . 1 1 16 16 PHE CB C 16 42.266 42.266 40.120 2.146 19642 3159 1 7 . 1 1 16 16 PHE H H 16 9.359 9.359 8.465 0.894 19642 3160 1 7 . 1 1 17 17 CYS N N 17 122.356 122.356 128.921 -6.565 19642 3161 1 7 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.428 1.139 19642 3162 1 7 . 1 1 17 17 CYS C C 17 173.018 173.018 173.568 -0.550 19642 3163 1 7 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.414 -2.706 19642 3164 1 7 . 1 1 17 17 CYS CB C 17 30.776 30.776 27.347 3.429 19642 3165 1 7 . 1 1 17 17 CYS H H 17 8.931 8.931 9.328 -0.397 19642 3166 1 7 . 1 1 18 18 MET N N 18 117.884 117.884 123.614 -5.730 19642 3167 1 7 . 1 1 18 18 MET HA H 18 4.846 4.846 4.545 0.301 19642 3168 1 7 . 1 1 18 18 MET C C 18 173.706 173.706 174.832 -1.126 19642 3169 1 7 . 1 1 18 18 MET CA C 18 53.623 53.623 55.235 -1.612 19642 3170 1 7 . 1 1 18 18 MET CB C 18 31.772 31.772 32.233 -0.461 19642 3171 1 7 . 1 1 18 18 MET H H 18 8.818 8.818 7.989 0.829 19642 3172 1 7 . 1 1 19 19 GLN N N 19 115.022 115.022 119.426 -4.404 19642 3173 1 7 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.361 -0.663 19642 3174 1 7 . 1 1 19 19 GLN C C 19 173.403 173.403 173.083 0.320 19642 3175 1 7 . 1 1 19 19 GLN CA C 19 57.009 57.009 55.385 1.625 19642 3176 1 7 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.957 -2.035 19642 3177 1 7 . 1 1 19 19 GLN H H 19 8.463 8.463 7.742 0.721 19642 3178 1 7 . 1 1 20 20 LEU N N 20 116.032 116.032 120.602 -4.570 19642 3179 1 7 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.553 -0.299 19642 3180 1 7 . 1 1 20 20 LEU C C 20 177.827 177.827 176.666 1.161 19642 3181 1 7 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.312 -1.717 19642 3182 1 7 . 1 1 20 20 LEU CB C 20 43.258 43.258 43.745 -0.487 19642 3183 1 7 . 1 1 20 20 LEU H H 20 7.685 7.685 8.057 -0.372 19642 3184 1 7 . 1 1 21 21 ALA N N 21 125.644 125.644 123.396 2.248 19642 3185 1 7 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.487 -0.342 19642 3186 1 7 . 1 1 21 21 ALA C C 21 178.868 178.868 177.286 1.582 19642 3187 1 7 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.621 0.040 19642 3188 1 7 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.180 -0.826 19642 3189 1 7 . 1 1 21 21 ALA H H 21 9.473 9.473 8.063 1.410 19642 3190 1 7 . 1 1 22 22 ALA N N 22 124.495 124.495 121.596 2.899 19642 3191 1 7 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.279 -0.170 19642 3192 1 7 . 1 1 22 22 ALA C C 22 179.705 179.705 178.584 1.121 19642 3193 1 7 . 1 1 22 22 ALA CA C 22 54.560 54.560 53.875 0.685 19642 3194 1 7 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.998 -0.640 19642 3195 1 7 . 1 1 22 22 ALA H H 22 8.583 8.583 8.215 0.368 19642 3196 1 7 . 1 1 23 23 ARG N N 23 111.716 111.716 118.887 -7.171 19642 3197 1 7 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.473 -0.105 19642 3198 1 7 . 1 1 23 23 ARG C C 23 176.243 176.243 175.091 1.152 19642 3199 1 7 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.017 0.119 19642 3200 1 7 . 1 1 23 23 ARG CB C 23 29.161 29.161 29.502 -0.341 19642 3201 1 7 . 1 1 23 23 ARG H H 23 7.905 7.905 8.223 -0.318 19642 3202 1 7 . 1 1 24 24 ILE N N 24 121.734 121.734 120.459 1.275 19642 3203 1 7 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.122 -0.230 19642 3204 1 7 . 1 1 24 24 ILE C C 24 173.297 173.297 175.537 -2.240 19642 3205 1 7 . 1 1 24 24 ILE CA C 24 61.336 61.336 60.925 0.411 19642 3206 1 7 . 1 1 24 24 ILE CB C 24 38.751 38.751 39.405 -0.654 19642 3207 1 7 . 1 1 24 24 ILE H H 24 7.270 7.270 8.243 -0.973 19642 3208 1 7 . 1 1 25 25 ARG N N 25 125.810 125.810 126.089 -0.279 19642 3209 1 7 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.784 0.171 19642 3210 1 7 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.666 -1.248 19642 3211 1 7 . 1 1 25 25 ARG CB C 25 30.964 30.964 31.457 -0.493 19642 3212 1 7 . 1 1 25 25 ARG H H 25 8.994 8.994 8.294 0.700 19642 3213 1 7 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.305 -0.245 19642 3214 1 7 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.247 1.425 19642 3215 1 7 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.086 -0.626 19642 3216 1 7 . 1 1 27 27 ARG N N 27 114.118 114.118 118.170 -4.052 19642 3217 1 7 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.384 -0.144 19642 3218 1 7 . 1 1 27 27 ARG C C 27 178.376 178.376 178.057 0.319 19642 3219 1 7 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.907 -0.792 19642 3220 1 7 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.684 -0.143 19642 3221 1 7 . 1 1 27 27 ARG H H 27 8.362 8.362 8.286 0.076 19642 3222 1 7 . 1 1 28 28 ASP N N 28 116.954 116.954 120.474 -3.520 19642 3223 1 7 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.430 0.031 19642 3224 1 7 . 1 1 28 28 ASP C C 28 180.328 180.328 178.461 1.867 19642 3225 1 7 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.569 -0.042 19642 3226 1 7 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.355 1.208 19642 3227 1 7 . 1 1 28 28 ASP H H 28 7.688 7.688 7.917 -0.229 19642 3228 1 7 . 1 1 29 29 LEU N N 29 117.931 117.931 117.444 0.487 19642 3229 1 7 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.115 0.202 19642 3230 1 7 . 1 1 29 29 LEU C C 29 178.541 178.541 179.093 -0.552 19642 3231 1 7 . 1 1 29 29 LEU CA C 29 56.849 56.849 58.080 -1.231 19642 3232 1 7 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.324 0.448 19642 3233 1 7 . 1 1 29 29 LEU H H 29 7.173 7.173 7.920 -0.747 19642 3234 1 7 . 1 1 30 30 GLU N N 30 121.321 121.321 118.645 2.676 19642 3235 1 7 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.322 -0.534 19642 3236 1 7 . 1 1 30 30 GLU C C 30 179.497 179.497 178.970 0.527 19642 3237 1 7 . 1 1 30 30 GLU CA C 30 60.299 60.299 58.967 1.332 19642 3238 1 7 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.295 0.377 19642 3239 1 7 . 1 1 30 30 GLU H H 30 8.632 8.632 7.835 0.797 19642 3240 1 7 . 1 1 31 31 GLU N N 31 118.162 118.162 119.645 -1.483 19642 3241 1 7 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.125 -0.058 19642 3242 1 7 . 1 1 31 31 GLU C C 31 179.635 179.635 178.575 1.060 19642 3243 1 7 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.575 0.782 19642 3244 1 7 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.095 0.401 19642 3245 1 7 . 1 1 31 31 GLU H H 31 8.405 8.405 8.316 0.089 19642 3246 1 7 . 1 1 32 32 PHE N N 32 120.127 120.127 119.821 0.306 19642 3247 1 7 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.173 0.180 19642 3248 1 7 . 1 1 32 32 PHE C C 32 177.183 177.183 177.213 -0.030 19642 3249 1 7 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.375 0.566 19642 3250 1 7 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.940 0.982 19642 3251 1 7 . 1 1 32 32 PHE H H 32 7.767 7.767 7.899 -0.132 19642 3252 1 7 . 1 1 33 33 PHE N N 33 112.879 112.879 117.337 -4.458 19642 3253 1 7 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.102 0.149 19642 3254 1 7 . 1 1 33 33 PHE C C 33 177.304 177.304 178.364 -1.060 19642 3255 1 7 . 1 1 33 33 PHE CA C 33 61.179 61.179 59.401 1.778 19642 3256 1 7 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.424 0.156 19642 3257 1 7 . 1 1 33 33 PHE H H 33 8.489 8.489 7.539 0.950 19642 3258 1 7 . 1 1 34 34 SER N N 34 115.870 115.870 116.411 -0.541 19642 3259 1 7 . 1 1 34 34 SER HA H 34 5.119 5.119 4.410 0.709 19642 3260 1 7 . 1 1 34 34 SER C C 34 175.464 175.464 176.387 -0.923 19642 3261 1 7 . 1 1 34 34 SER CA C 34 61.268 61.268 60.992 0.276 19642 3262 1 7 . 1 1 34 34 SER CB C 34 62.915 62.915 63.102 -0.188 19642 3263 1 7 . 1 1 34 34 SER H H 34 7.997 7.997 8.848 -0.851 19642 3264 1 7 . 1 1 35 35 THR N N 35 110.934 110.934 114.861 -3.927 19642 3265 1 7 . 1 1 35 35 THR HA H 35 4.147 4.147 4.255 -0.108 19642 3266 1 7 . 1 1 35 35 THR C C 35 176.410 176.410 175.478 0.932 19642 3267 1 7 . 1 1 35 35 THR CA C 35 63.756 63.756 64.032 -0.276 19642 3268 1 7 . 1 1 35 35 THR CB C 35 68.802 68.802 69.336 -0.534 19642 3269 1 7 . 1 1 35 35 THR H H 35 7.188 7.188 7.721 -0.533 19642 3270 1 7 . 1 1 36 36 VAL N N 36 111.644 111.644 115.127 -3.483 19642 3271 1 7 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.631 -0.008 19642 3272 1 7 . 1 1 36 36 VAL C C 36 176.046 176.046 175.120 0.926 19642 3273 1 7 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.008 -0.535 19642 3274 1 7 . 1 1 36 36 VAL CB C 36 32.425 32.425 33.979 -1.554 19642 3275 1 7 . 1 1 36 36 VAL H H 36 7.665 7.665 7.640 0.025 19642 3276 1 7 . 1 1 37 37 GLY N N 37 109.343 109.343 108.387 0.956 19642 3277 1 7 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.557 -0.288 19642 3278 1 7 . 1 1 37 37 GLY H H 37 7.640 7.640 8.010 -0.370 19642 3279 1 7 . 1 1 38 38 LYS N N 38 117.953 117.953 118.926 -0.973 19642 3280 1 7 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.466 0.073 19642 3281 1 7 . 1 1 38 38 LYS CA C 38 55.724 55.724 54.752 0.972 19642 3282 1 7 . 1 1 38 38 LYS CB C 38 32.875 32.875 34.843 -1.968 19642 3283 1 7 . 1 1 38 38 LYS H H 38 8.246 8.246 7.761 0.485 19642 3284 1 7 . 1 1 39 39 VAL N N 39 128.639 128.639 124.162 4.477 19642 3285 1 7 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.722 -0.037 19642 3286 1 7 . 1 1 39 39 VAL CA C 39 62.816 62.816 62.873 -0.057 19642 3287 1 7 . 1 1 39 39 VAL CB C 39 32.992 32.992 31.905 1.087 19642 3288 1 7 . 1 1 39 39 VAL H H 39 9.126 9.126 8.718 0.408 19642 3289 1 7 . 1 1 40 40 ARG N N 40 129.292 129.292 126.936 2.356 19642 3290 1 7 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.292 -0.013 19642 3291 1 7 . 1 1 40 40 ARG C C 40 175.643 175.643 176.317 -0.674 19642 3292 1 7 . 1 1 40 40 ARG CA C 40 56.334 56.334 56.933 -0.599 19642 3293 1 7 . 1 1 40 40 ARG CB C 40 31.660 31.660 30.965 0.695 19642 3294 1 7 . 1 1 40 40 ARG H H 40 9.573 9.573 8.548 1.025 19642 3295 1 7 . 1 1 41 41 ASP N N 41 116.255 116.255 120.364 -4.109 19642 3296 1 7 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.854 -0.014 19642 3297 1 7 . 1 1 41 41 ASP C C 41 173.674 173.674 174.141 -0.467 19642 3298 1 7 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.790 -0.085 19642 3299 1 7 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.236 0.667 19642 3300 1 7 . 1 1 41 41 ASP H H 41 7.762 7.762 7.756 0.006 19642 3301 1 7 . 1 1 42 42 VAL N N 42 122.442 122.442 124.318 -1.876 19642 3302 1 7 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.120 0.515 19642 3303 1 7 . 1 1 42 42 VAL C C 42 174.714 174.714 175.355 -0.641 19642 3304 1 7 . 1 1 42 42 VAL CA C 42 61.274 61.274 62.996 -1.722 19642 3305 1 7 . 1 1 42 42 VAL CB C 42 34.832 34.832 31.908 2.924 19642 3306 1 7 . 1 1 42 42 VAL H H 42 7.939 7.939 8.572 -0.633 19642 3307 1 7 . 1 1 43 43 ARG N N 43 126.687 126.687 130.533 -3.846 19642 3308 1 7 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.604 0.161 19642 3309 1 7 . 1 1 43 43 ARG C C 43 175.278 175.278 175.080 0.198 19642 3310 1 7 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.885 -0.507 19642 3311 1 7 . 1 1 43 43 ARG CB C 43 32.434 32.434 29.821 2.613 19642 3312 1 7 . 1 1 43 43 ARG H H 43 9.171 9.171 8.381 0.790 19642 3313 1 7 . 1 1 44 44 MET N N 44 123.092 123.092 121.638 1.454 19642 3314 1 7 . 1 1 44 44 MET HA H 44 4.906 4.906 4.727 0.179 19642 3315 1 7 . 1 1 44 44 MET C C 44 176.360 176.360 175.559 0.801 19642 3316 1 7 . 1 1 44 44 MET CA C 44 53.152 53.152 55.641 -2.489 19642 3317 1 7 . 1 1 44 44 MET CB C 44 32.940 32.940 33.871 -0.931 19642 3318 1 7 . 1 1 44 44 MET H H 44 8.939 8.939 8.161 0.778 19642 3319 1 7 . 1 1 45 45 ILE N N 45 124.146 124.146 119.544 4.602 19642 3320 1 7 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.532 -0.072 19642 3321 1 7 . 1 1 45 45 ILE C C 45 175.961 175.961 175.957 0.004 19642 3322 1 7 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.108 -0.161 19642 3323 1 7 . 1 1 45 45 ILE CB C 45 38.193 38.193 40.411 -2.218 19642 3324 1 7 . 1 1 45 45 ILE H H 45 8.319 8.319 8.356 -0.037 19642 3325 1 7 . 1 1 46 46 SER N N 46 121.541 121.541 115.481 6.060 19642 3326 1 7 . 1 1 46 46 SER HA H 46 4.709 4.709 4.149 0.560 19642 3327 1 7 . 1 1 46 46 SER C C 46 174.061 174.061 174.206 -0.145 19642 3328 1 7 . 1 1 46 46 SER CA C 46 57.381 57.381 59.332 -1.951 19642 3329 1 7 . 1 1 46 46 SER CB C 46 64.273 64.273 63.195 1.078 19642 3330 1 7 . 1 1 46 46 SER H H 46 8.653 8.653 8.715 -0.062 19642 3331 1 7 . 1 1 47 47 ASP N N 47 123.132 123.132 118.951 4.181 19642 3332 1 7 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.574 0.084 19642 3333 1 7 . 1 1 47 47 ASP C C 47 177.203 177.203 175.796 1.407 19642 3334 1 7 . 1 1 47 47 ASP CA C 47 53.662 53.662 55.012 -1.350 19642 3335 1 7 . 1 1 47 47 ASP CB C 47 41.920 41.920 41.041 0.879 19642 3336 1 7 . 1 1 47 47 ASP H H 47 8.598 8.598 8.443 0.155 19642 3337 1 7 . 1 1 48 48 ARG N N 48 122.881 122.881 118.186 4.695 19642 3338 1 7 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.518 -0.311 19642 3339 1 7 . 1 1 48 48 ARG C C 48 177.090 177.090 176.291 0.799 19642 3340 1 7 . 1 1 48 48 ARG CA C 48 57.206 57.206 54.882 2.324 19642 3341 1 7 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.957 -2.182 19642 3342 1 7 . 1 1 48 48 ARG H H 48 8.648 8.648 7.552 1.096 19642 3343 1 7 . 1 1 49 49 ASN N N 49 117.245 117.245 119.971 -2.726 19642 3344 1 7 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.491 0.255 19642 3345 1 7 . 1 1 49 49 ASN C C 49 175.822 175.822 175.948 -0.126 19642 3346 1 7 . 1 1 49 49 ASN CA C 49 53.592 53.592 55.170 -1.578 19642 3347 1 7 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.550 0.360 19642 3348 1 7 . 1 1 49 49 ASN H H 49 8.502 8.502 8.708 -0.206 19642 3349 1 7 . 1 1 50 50 SER N N 50 114.891 114.891 114.267 0.624 19642 3350 1 7 . 1 1 50 50 SER HA H 50 4.429 4.429 4.435 -0.006 19642 3351 1 7 . 1 1 50 50 SER C C 50 175.339 175.339 173.929 1.410 19642 3352 1 7 . 1 1 50 50 SER CA C 50 58.396 58.396 59.005 -0.609 19642 3353 1 7 . 1 1 50 50 SER CB C 50 63.681 63.681 61.980 1.701 19642 3354 1 7 . 1 1 50 50 SER H H 50 8.158 8.158 8.231 -0.073 19642 3355 1 7 . 1 1 51 51 ARG N N 51 120.957 120.957 120.018 0.939 19642 3356 1 7 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.388 -0.099 19642 3357 1 7 . 1 1 51 51 ARG C C 51 176.845 176.845 175.410 1.435 19642 3358 1 7 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.527 0.145 19642 3359 1 7 . 1 1 51 51 ARG CB C 51 29.620 29.620 31.596 -1.976 19642 3360 1 7 . 1 1 51 51 ARG H H 51 8.451 8.451 8.151 0.300 19642 3361 1 7 . 1 1 52 52 ARG N N 52 119.405 119.405 118.945 0.460 19642 3362 1 7 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.101 0.319 19642 3363 1 7 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.622 -0.857 19642 3364 1 7 . 1 1 52 52 ARG CB C 52 30.875 30.875 27.165 3.710 19642 3365 1 7 . 1 1 52 52 ARG H H 52 8.159 8.159 8.213 -0.054 19642 3366 1 7 . 1 1 53 53 SER N N 53 116.328 116.328 115.623 0.705 19642 3367 1 7 . 1 1 53 53 SER HA H 53 4.492 4.492 4.375 0.117 19642 3368 1 7 . 1 1 53 53 SER CA C 53 58.142 58.142 59.368 -1.226 19642 3369 1 7 . 1 1 53 53 SER CB C 53 63.447 63.447 62.864 0.583 19642 3370 1 7 . 1 1 53 53 SER H H 53 8.370 8.370 8.491 -0.121 19642 3371 1 7 . 1 1 54 54 LYS N N 54 122.099 122.099 116.927 5.172 19642 3372 1 7 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.054 0.445 19642 3373 1 7 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.093 -1.530 19642 3374 1 7 . 1 1 54 54 LYS CB C 54 33.079 33.079 31.983 1.096 19642 3375 1 7 . 1 1 54 54 LYS H H 54 8.374 8.374 7.423 0.951 19642 3376 1 7 . 1 1 55 55 GLY N N 55 109.513 109.513 105.201 4.312 19642 3377 1 7 . 1 1 55 55 GLY C C 55 172.962 172.962 172.344 0.618 19642 3378 1 7 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.644 1.250 19642 3379 1 7 . 1 1 55 55 GLY H H 55 8.592 8.592 7.704 0.888 19642 3380 1 7 . 1 1 56 56 ILE N N 56 114.180 114.180 118.596 -4.416 19642 3381 1 7 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.355 -0.343 19642 3382 1 7 . 1 1 56 56 ILE C C 56 175.172 175.172 173.571 1.601 19642 3383 1 7 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.338 -0.607 19642 3384 1 7 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.839 0.323 19642 3385 1 7 . 1 1 56 56 ILE H H 56 7.618 7.618 7.769 -0.151 19642 3386 1 7 . 1 1 57 57 ALA N N 57 121.556 121.556 125.893 -4.337 19642 3387 1 7 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.181 -0.061 19642 3388 1 7 . 1 1 57 57 ALA C C 57 175.094 175.094 175.283 -0.189 19642 3389 1 7 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.344 -0.645 19642 3390 1 7 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.916 1.254 19642 3391 1 7 . 1 1 57 57 ALA H H 57 8.308 8.308 8.520 -0.212 19642 3392 1 7 . 1 1 58 58 TYR N N 58 118.387 118.387 122.637 -4.250 19642 3393 1 7 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.200 0.281 19642 3394 1 7 . 1 1 58 58 TYR C C 58 175.537 175.537 175.180 0.357 19642 3395 1 7 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.307 0.207 19642 3396 1 7 . 1 1 58 58 TYR CB C 58 40.607 40.607 38.735 1.872 19642 3397 1 7 . 1 1 58 58 TYR H H 58 8.971 8.971 8.979 -0.008 19642 3398 1 7 . 1 1 59 59 VAL N N 59 122.978 122.978 119.661 3.317 19642 3399 1 7 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.352 0.024 19642 3400 1 7 . 1 1 59 59 VAL C C 59 172.631 172.631 176.007 -3.376 19642 3401 1 7 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.464 -0.247 19642 3402 1 7 . 1 1 59 59 VAL CB C 59 33.575 33.575 32.525 1.050 19642 3403 1 7 . 1 1 59 59 VAL H H 59 8.828 8.828 7.875 0.953 19642 3404 1 7 . 1 1 60 60 GLU N N 60 128.557 128.557 126.987 1.570 19642 3405 1 7 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.676 0.175 19642 3406 1 7 . 1 1 60 60 GLU C C 60 176.210 176.210 175.963 0.247 19642 3407 1 7 . 1 1 60 60 GLU CA C 60 53.842 53.842 56.306 -2.465 19642 3408 1 7 . 1 1 60 60 GLU CB C 60 33.103 33.103 31.369 1.734 19642 3409 1 7 . 1 1 60 60 GLU H H 60 8.774 8.774 8.833 -0.059 19642 3410 1 7 . 1 1 61 61 PHE N N 61 126.659 126.659 122.567 4.092 19642 3411 1 7 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.620 0.296 19642 3412 1 7 . 1 1 61 61 PHE C C 61 176.011 176.011 176.410 -0.399 19642 3413 1 7 . 1 1 61 61 PHE CA C 61 58.586 58.586 57.582 1.004 19642 3414 1 7 . 1 1 61 61 PHE CB C 61 41.038 41.038 41.825 -0.787 19642 3415 1 7 . 1 1 61 61 PHE H H 61 9.340 9.340 8.973 0.367 19642 3416 1 7 . 1 1 62 62 VAL N N 62 118.280 118.280 121.855 -3.575 19642 3417 1 7 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.753 -0.010 19642 3418 1 7 . 1 1 62 62 VAL C C 62 176.097 176.097 175.662 0.435 19642 3419 1 7 . 1 1 62 62 VAL CA C 62 65.785 65.785 65.273 0.512 19642 3420 1 7 . 1 1 62 62 VAL CB C 62 32.811 32.811 31.808 1.002 19642 3421 1 7 . 1 1 62 62 VAL H H 62 8.184 8.184 7.687 0.497 19642 3422 1 7 . 1 1 63 63 ASP N N 63 118.269 118.269 117.244 1.025 19642 3423 1 7 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.882 0.310 19642 3424 1 7 . 1 1 63 63 ASP C C 63 176.648 176.648 176.449 0.199 19642 3425 1 7 . 1 1 63 63 ASP CA C 63 52.639 52.639 53.774 -1.135 19642 3426 1 7 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.453 1.115 19642 3427 1 7 . 1 1 63 63 ASP H H 63 8.708 8.708 8.078 0.630 19642 3428 1 7 . 1 1 64 64 VAL N N 64 121.961 121.961 124.006 -2.045 19642 3429 1 7 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.940 -0.129 19642 3430 1 7 . 1 1 64 64 VAL C C 64 178.439 178.439 177.040 1.399 19642 3431 1 7 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.981 -0.162 19642 3432 1 7 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.673 -0.623 19642 3433 1 7 . 1 1 64 64 VAL H H 64 8.609 8.609 8.629 -0.020 19642 3434 1 7 . 1 1 65 65 SER N N 65 115.305 115.305 113.798 1.507 19642 3435 1 7 . 1 1 65 65 SER HA H 65 4.143 4.143 4.190 -0.047 19642 3436 1 7 . 1 1 65 65 SER C C 65 176.285 176.285 175.467 0.818 19642 3437 1 7 . 1 1 65 65 SER CA C 65 60.158 60.158 60.957 -0.799 19642 3438 1 7 . 1 1 65 65 SER CB C 65 62.066 62.066 62.682 -0.616 19642 3439 1 7 . 1 1 65 65 SER H H 65 8.492 8.492 8.782 -0.290 19642 3440 1 7 . 1 1 66 66 SER N N 66 116.053 116.053 116.537 -0.484 19642 3441 1 7 . 1 1 66 66 SER HA H 66 4.024 4.024 4.307 -0.283 19642 3442 1 7 . 1 1 66 66 SER C C 66 174.528 174.528 175.282 -0.754 19642 3443 1 7 . 1 1 66 66 SER CA C 66 60.749 60.749 59.773 0.976 19642 3444 1 7 . 1 1 66 66 SER CB C 66 63.063 63.063 63.123 -0.060 19642 3445 1 7 . 1 1 66 66 SER H H 66 7.414 7.414 7.825 -0.411 19642 3446 1 7 . 1 1 67 67 VAL N N 67 119.830 119.830 122.602 -2.772 19642 3447 1 7 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.575 -0.255 19642 3448 1 7 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.621 0.418 19642 3449 1 7 . 1 1 67 67 VAL CB C 67 29.198 29.198 30.077 -0.879 19642 3450 1 7 . 1 1 67 67 VAL H H 67 7.611 7.611 8.035 -0.424 19642 3451 1 7 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.283 -0.018 19642 3452 1 7 . 1 1 68 68 PRO C C 68 180.457 180.457 177.879 2.578 19642 3453 1 7 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.000 0.072 19642 3454 1 7 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.305 -0.567 19642 3455 1 7 . 1 1 69 69 LEU N N 69 115.334 115.334 119.947 -4.613 19642 3456 1 7 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.045 0.054 19642 3457 1 7 . 1 1 69 69 LEU C C 69 179.450 179.450 178.697 0.753 19642 3458 1 7 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.231 -0.789 19642 3459 1 7 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.667 -0.545 19642 3460 1 7 . 1 1 69 69 LEU H H 69 6.284 6.284 7.548 -1.264 19642 3461 1 7 . 1 1 70 70 ALA N N 70 122.703 122.703 121.648 1.055 19642 3462 1 7 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.121 0.054 19642 3463 1 7 . 1 1 70 70 ALA C C 70 180.611 180.611 180.066 0.545 19642 3464 1 7 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.930 -0.035 19642 3465 1 7 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.973 1.571 19642 3466 1 7 . 1 1 70 70 ALA H H 70 8.342 8.342 7.469 0.873 19642 3467 1 7 . 1 1 71 71 ILE N N 71 118.692 118.692 118.157 0.535 19642 3468 1 7 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.671 0.594 19642 3469 1 7 . 1 1 71 71 ILE C C 71 179.971 179.971 178.079 1.892 19642 3470 1 7 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.648 0.469 19642 3471 1 7 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.486 1.114 19642 3472 1 7 . 1 1 71 71 ILE H H 71 8.255 8.255 7.524 0.731 19642 3473 1 7 . 1 1 72 72 GLY N N 72 106.417 106.417 106.306 0.111 19642 3474 1 7 . 1 1 72 72 GLY C C 72 174.590 174.590 175.254 -0.664 19642 3475 1 7 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.616 -0.725 19642 3476 1 7 . 1 1 72 72 GLY H H 72 7.635 7.635 7.830 -0.195 19642 3477 1 7 . 1 1 73 73 LEU N N 73 120.383 120.383 119.445 0.938 19642 3478 1 7 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.664 -0.253 19642 3479 1 7 . 1 1 73 73 LEU C C 73 176.338 176.338 178.330 -1.992 19642 3480 1 7 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.065 0.884 19642 3481 1 7 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.836 -1.243 19642 3482 1 7 . 1 1 73 73 LEU H H 73 7.767 7.767 7.659 0.108 19642 3483 1 7 . 1 1 74 74 THR N N 74 115.157 115.157 117.370 -2.213 19642 3484 1 7 . 1 1 74 74 THR HA H 74 4.060 4.060 4.190 -0.130 19642 3485 1 7 . 1 1 74 74 THR C C 74 175.656 175.656 175.804 -0.148 19642 3486 1 7 . 1 1 74 74 THR CA C 74 66.177 66.177 66.756 -0.579 19642 3487 1 7 . 1 1 74 74 THR CB C 74 69.821 69.821 68.763 1.058 19642 3488 1 7 . 1 1 74 74 THR H H 74 7.731 7.731 7.612 0.119 19642 3489 1 7 . 1 1 75 75 GLY N N 75 117.587 117.587 106.510 11.077 19642 3490 1 7 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.501 0.124 19642 3491 1 7 . 1 1 75 75 GLY H H 75 9.519 9.519 8.386 1.133 19642 3492 1 7 . 1 1 76 76 GLN N N 76 120.027 120.027 120.330 -0.303 19642 3493 1 7 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.413 -0.099 19642 3494 1 7 . 1 1 76 76 GLN C C 76 175.015 175.015 174.870 0.145 19642 3495 1 7 . 1 1 76 76 GLN CA C 76 55.819 55.819 56.102 -0.283 19642 3496 1 7 . 1 1 76 76 GLN CB C 76 28.220 28.220 29.963 -1.743 19642 3497 1 7 . 1 1 76 76 GLN H H 76 8.319 8.319 7.849 0.470 19642 3498 1 7 . 1 1 77 77 ARG N N 77 118.759 118.759 116.693 2.066 19642 3499 1 7 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.506 -0.375 19642 3500 1 7 . 1 1 77 77 ARG C C 77 176.209 176.209 174.684 1.525 19642 3501 1 7 . 1 1 77 77 ARG CA C 77 56.091 56.091 54.666 1.425 19642 3502 1 7 . 1 1 77 77 ARG CB C 77 31.364 31.364 32.682 -1.318 19642 3503 1 7 . 1 1 77 77 ARG H H 77 8.544 8.544 8.409 0.135 19642 3504 1 7 . 1 1 78 78 VAL N N 78 123.886 123.886 124.291 -0.405 19642 3505 1 7 . 1 1 78 78 VAL HA H 78 3.835 3.835 4.013 -0.178 19642 3506 1 7 . 1 1 78 78 VAL C C 78 176.570 176.570 175.557 1.013 19642 3507 1 7 . 1 1 78 78 VAL CA C 78 61.470 61.470 61.842 -0.372 19642 3508 1 7 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.819 0.383 19642 3509 1 7 . 1 1 78 78 VAL H H 78 8.015 8.015 7.779 0.236 19642 3510 1 7 . 1 1 79 79 LEU N N 79 129.331 129.331 127.245 2.086 19642 3511 1 7 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.948 -0.116 19642 3512 1 7 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.878 -0.105 19642 3513 1 7 . 1 1 79 79 LEU CB C 79 39.541 39.541 40.303 -0.763 19642 3514 1 7 . 1 1 79 79 LEU H H 79 9.570 9.570 8.945 0.625 19642 3515 1 7 . 1 1 80 80 GLY N N 80 100.301 100.301 102.557 -2.256 19642 3516 1 7 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.593 0.636 19642 3517 1 7 . 1 1 80 80 GLY H H 80 8.316 8.316 7.723 0.593 19642 3518 1 7 . 1 1 81 81 VAL N N 81 122.763 122.763 123.201 -0.438 19642 3519 1 7 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.429 0.208 19642 3520 1 7 . 1 1 81 81 VAL CA C 81 59.355 59.355 59.481 -0.126 19642 3521 1 7 . 1 1 81 81 VAL CB C 81 34.897 34.897 32.191 2.706 19642 3522 1 7 . 1 1 81 81 VAL H H 81 7.632 7.632 8.177 -0.545 19642 3523 1 7 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.576 -0.244 19642 3524 1 7 . 1 1 82 82 PRO C C 82 175.005 175.005 175.686 -0.681 19642 3525 1 7 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.033 0.470 19642 3526 1 7 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.635 -1.355 19642 3527 1 7 . 1 1 83 83 ILE N N 83 126.022 126.022 116.457 9.565 19642 3528 1 7 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.341 0.285 19642 3529 1 7 . 1 1 83 83 ILE C C 83 175.679 175.679 174.075 1.604 19642 3530 1 7 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.856 2.113 19642 3531 1 7 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.864 -0.951 19642 3532 1 7 . 1 1 83 83 ILE H H 83 8.391 8.391 7.508 0.883 19642 3533 1 7 . 1 1 84 84 ILE N N 84 125.284 125.284 122.183 3.101 19642 3534 1 7 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.482 -0.049 19642 3535 1 7 . 1 1 84 84 ILE C C 84 174.418 174.418 177.181 -2.763 19642 3536 1 7 . 1 1 84 84 ILE CA C 84 61.313 61.313 58.683 2.630 19642 3537 1 7 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.598 1.302 19642 3538 1 7 . 1 1 84 84 ILE H H 84 7.842 7.842 8.581 -0.739 19642 3539 1 7 . 1 1 85 85 VAL N N 85 128.143 128.143 125.292 2.851 19642 3540 1 7 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.730 -0.113 19642 3541 1 7 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.576 0.311 19642 3542 1 7 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.863 2.206 19642 3543 1 7 . 1 1 85 85 VAL H H 85 8.400 8.400 8.703 -0.303 19642 3544 1 7 . 1 1 86 86 GLN N N 86 122.965 122.965 117.135 5.830 19642 3545 1 7 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.166 0.737 19642 3546 1 7 . 1 1 86 86 GLN C C 86 175.590 175.590 176.036 -0.446 19642 3547 1 7 . 1 1 86 86 GLN CA C 86 60.756 60.756 56.571 4.185 19642 3548 1 7 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.839 5.174 19642 3549 1 7 . 1 1 86 86 GLN H H 86 9.242 9.242 7.703 1.539 19642 3550 1 7 . 1 1 87 87 ALA N N 87 123.174 123.174 121.132 2.042 19642 3551 1 7 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.110 0.246 19642 3552 1 7 . 1 1 87 87 ALA C C 87 178.095 178.095 177.181 0.914 19642 3553 1 7 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.313 0.512 19642 3554 1 7 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.501 0.033 19642 3555 1 7 . 1 1 87 87 ALA H H 87 8.907 8.907 7.305 1.602 19642 3556 1 7 . 1 1 88 88 SER N N 88 114.952 114.952 116.741 -1.789 19642 3557 1 7 . 1 1 88 88 SER HA H 88 4.294 4.294 4.293 0.001 19642 3558 1 7 . 1 1 88 88 SER C C 88 175.470 175.470 173.778 1.692 19642 3559 1 7 . 1 1 88 88 SER CA C 88 59.617 59.617 59.896 -0.279 19642 3560 1 7 . 1 1 88 88 SER CB C 88 63.409 63.409 63.859 -0.450 19642 3561 1 7 . 1 1 88 88 SER H H 88 8.343 8.343 8.382 -0.039 19642 3562 1 7 . 1 1 89 89 GLN N N 89 121.151 121.151 127.670 -6.519 19642 3563 1 7 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.530 -0.217 19642 3564 1 7 . 1 1 89 89 GLN C C 89 175.838 175.838 174.479 1.359 19642 3565 1 7 . 1 1 89 89 GLN CA C 89 55.286 55.286 55.275 0.011 19642 3566 1 7 . 1 1 89 89 GLN CB C 89 29.333 29.333 32.907 -3.574 19642 3567 1 7 . 1 1 89 89 GLN H H 89 8.348 8.348 8.598 -0.249 19642 3568 1 7 . 1 1 90 90 ALA N N 90 124.942 124.942 125.542 -0.600 19642 3569 1 7 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.044 0.159 19642 3570 1 7 . 1 1 90 90 ALA C C 90 178.381 178.381 177.495 0.886 19642 3571 1 7 . 1 1 90 90 ALA CA C 90 52.762 52.762 52.463 0.299 19642 3572 1 7 . 1 1 90 90 ALA CB C 90 19.071 19.071 19.019 0.052 19642 3573 1 7 . 1 1 90 90 ALA H H 90 8.245 8.245 8.573 -0.328 19642 3574 1 7 . 1 1 91 91 GLU N N 91 119.604 119.604 121.939 -2.335 19642 3575 1 7 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.318 -0.165 19642 3576 1 7 . 1 1 91 91 GLU C C 91 176.986 176.986 175.943 1.043 19642 3577 1 7 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.465 0.070 19642 3578 1 7 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.779 1.250 19642 3579 1 7 . 1 1 91 91 GLU H H 91 8.414 8.414 8.703 -0.289 19642 3580 1 7 . 1 1 92 92 LYS N N 92 121.284 121.284 119.094 2.190 19642 3581 1 7 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.502 -0.212 19642 3582 1 7 . 1 1 92 92 LYS C C 92 176.699 176.699 174.426 2.273 19642 3583 1 7 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.473 0.569 19642 3584 1 7 . 1 1 92 92 LYS CB C 92 32.705 32.705 34.679 -1.974 19642 3585 1 7 . 1 1 92 92 LYS H H 92 8.212 8.212 7.664 0.548 19642 3586 1 7 . 1 1 93 93 ASN N N 93 119.221 119.221 119.466 -0.245 19642 3587 1 7 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.849 -0.149 19642 3588 1 7 . 1 1 93 93 ASN C C 93 174.424 174.424 173.876 0.548 19642 3589 1 7 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.332 -0.222 19642 3590 1 7 . 1 1 93 93 ASN CB C 93 38.726 38.726 39.372 -0.646 19642 3591 1 7 . 1 1 93 93 ASN H H 93 8.370 8.370 8.471 -0.101 19642 3592 1 8 . 1 1 2 2 HIS HA H 2 4.693 4.693 5.075 -0.382 19642 3593 1 8 . 1 1 2 2 HIS C C 2 175.244 175.244 174.124 1.120 19642 3594 1 8 . 1 1 2 2 HIS CA C 2 55.849 55.849 55.561 0.288 19642 3595 1 8 . 1 1 2 2 HIS CB C 2 30.165 30.165 30.563 -0.398 19642 3596 1 8 . 1 1 3 3 MET HA H 3 4.464 4.464 4.261 0.203 19642 3597 1 8 . 1 1 3 3 MET C C 3 175.896 175.896 174.149 1.747 19642 3598 1 8 . 1 1 3 3 MET CA C 3 55.188 55.188 54.622 0.566 19642 3599 1 8 . 1 1 3 3 MET CB C 3 32.736 32.736 35.292 -2.556 19642 3600 1 8 . 1 1 4 4 ASN N N 4 120.610 120.610 120.232 0.378 19642 3601 1 8 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.748 0.004 19642 3602 1 8 . 1 1 4 4 ASN C C 4 175.033 175.033 175.973 -0.940 19642 3603 1 8 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.567 -0.839 19642 3604 1 8 . 1 1 4 4 ASN CB C 4 38.604 38.604 38.578 0.027 19642 3605 1 8 . 1 1 4 4 ASN H H 4 8.564 8.564 8.265 0.299 19642 3606 1 8 . 1 1 5 5 LEU N N 5 122.314 122.314 121.036 1.278 19642 3607 1 8 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.105 0.505 19642 3608 1 8 . 1 1 5 5 LEU C C 5 178.178 178.178 176.181 1.997 19642 3609 1 8 . 1 1 5 5 LEU CA C 5 54.305 54.305 55.486 -1.181 19642 3610 1 8 . 1 1 5 5 LEU CB C 5 43.343 43.343 42.116 1.227 19642 3611 1 8 . 1 1 5 5 LEU H H 5 8.046 8.046 8.431 -0.385 19642 3612 1 8 . 1 1 6 6 THR N N 6 115.483 115.483 109.961 5.522 19642 3613 1 8 . 1 1 6 6 THR HA H 6 4.626 4.626 4.564 0.062 19642 3614 1 8 . 1 1 6 6 THR CA C 6 60.039 60.039 59.005 1.034 19642 3615 1 8 . 1 1 6 6 THR CB C 6 68.119 68.119 69.650 -1.531 19642 3616 1 8 . 1 1 6 6 THR H H 6 8.948 8.948 8.053 0.895 19642 3617 1 8 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.323 -0.180 19642 3618 1 8 . 1 1 7 7 PRO CA C 7 65.573 65.573 64.847 0.727 19642 3619 1 8 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.923 -0.283 19642 3620 1 8 . 1 1 8 8 GLU N N 8 116.691 116.691 117.076 -0.385 19642 3621 1 8 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.277 -0.166 19642 3622 1 8 . 1 1 8 8 GLU CA C 8 59.572 59.572 57.525 2.047 19642 3623 1 8 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.121 -0.232 19642 3624 1 8 . 1 1 8 8 GLU H H 8 8.753 8.753 8.315 0.438 19642 3625 1 8 . 1 1 9 9 GLU N N 9 121.235 121.235 120.525 0.710 19642 3626 1 8 . 1 1 9 9 GLU HA H 9 4.041 4.041 3.981 0.060 19642 3627 1 8 . 1 1 9 9 GLU C C 9 180.194 180.194 178.848 1.346 19642 3628 1 8 . 1 1 9 9 GLU CA C 9 58.527 58.527 60.056 -1.529 19642 3629 1 8 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.495 1.071 19642 3630 1 8 . 1 1 9 9 GLU H H 9 7.823 7.823 8.216 -0.393 19642 3631 1 8 . 1 1 10 10 ARG N N 10 120.373 120.373 115.877 4.496 19642 3632 1 8 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.052 -0.165 19642 3633 1 8 . 1 1 10 10 ARG C C 10 180.714 180.714 177.518 3.196 19642 3634 1 8 . 1 1 10 10 ARG CA C 10 59.785 59.785 59.419 0.366 19642 3635 1 8 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.291 -0.420 19642 3636 1 8 . 1 1 10 10 ARG H H 10 8.363 8.363 8.252 0.111 19642 3637 1 8 . 1 1 11 11 ASP N N 11 123.103 123.103 118.075 5.028 19642 3638 1 8 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.718 -0.404 19642 3639 1 8 . 1 1 11 11 ASP C C 11 179.081 179.081 176.899 2.182 19642 3640 1 8 . 1 1 11 11 ASP CA C 11 57.683 57.683 54.818 2.865 19642 3641 1 8 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.581 -1.559 19642 3642 1 8 . 1 1 11 11 ASP H H 11 8.709 8.709 7.799 0.910 19642 3643 1 8 . 1 1 12 12 ALA N N 12 119.926 119.926 123.060 -3.134 19642 3644 1 8 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.182 0.061 19642 3645 1 8 . 1 1 12 12 ALA C C 12 177.593 177.593 177.665 -0.072 19642 3646 1 8 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.693 0.115 19642 3647 1 8 . 1 1 12 12 ALA CB C 12 18.341 18.341 19.747 -1.406 19642 3648 1 8 . 1 1 12 12 ALA H H 12 7.615 7.615 8.041 -0.426 19642 3649 1 8 . 1 1 13 13 ARG N N 13 113.504 113.504 118.225 -4.721 19642 3650 1 8 . 1 1 13 13 ARG HA H 13 4.427 4.427 3.930 0.497 19642 3651 1 8 . 1 1 13 13 ARG C C 13 174.905 174.905 174.800 0.105 19642 3652 1 8 . 1 1 13 13 ARG CA C 13 55.588 55.588 56.982 -1.394 19642 3653 1 8 . 1 1 13 13 ARG CB C 13 30.789 30.789 26.909 3.880 19642 3654 1 8 . 1 1 13 13 ARG H H 13 7.204 7.204 8.014 -0.810 19642 3655 1 8 . 1 1 14 14 THR N N 14 117.103 117.103 113.600 3.503 19642 3656 1 8 . 1 1 14 14 THR HA H 14 5.589 5.589 5.365 0.224 19642 3657 1 8 . 1 1 14 14 THR C C 14 174.610 174.610 173.438 1.172 19642 3658 1 8 . 1 1 14 14 THR CA C 14 61.993 61.993 60.735 1.258 19642 3659 1 8 . 1 1 14 14 THR CB C 14 70.185 70.185 72.547 -2.362 19642 3660 1 8 . 1 1 14 14 THR H H 14 7.685 7.685 8.589 -0.904 19642 3661 1 8 . 1 1 15 15 VAL N N 15 117.127 117.127 117.908 -0.781 19642 3662 1 8 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.707 0.373 19642 3663 1 8 . 1 1 15 15 VAL C C 15 173.786 173.786 173.687 0.099 19642 3664 1 8 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.297 -0.712 19642 3665 1 8 . 1 1 15 15 VAL CB C 15 33.823 33.823 34.658 -0.835 19642 3666 1 8 . 1 1 15 15 VAL H H 15 9.154 9.154 8.925 0.229 19642 3667 1 8 . 1 1 16 16 PHE N N 16 122.697 122.697 121.043 1.654 19642 3668 1 8 . 1 1 16 16 PHE HA H 16 5.183 5.183 5.142 0.041 19642 3669 1 8 . 1 1 16 16 PHE C C 16 174.520 174.520 174.390 0.130 19642 3670 1 8 . 1 1 16 16 PHE CA C 16 54.981 54.981 56.025 -1.044 19642 3671 1 8 . 1 1 16 16 PHE CB C 16 42.266 42.266 42.440 -0.174 19642 3672 1 8 . 1 1 16 16 PHE H H 16 9.359 9.359 8.349 1.010 19642 3673 1 8 . 1 1 17 17 CYS N N 17 122.356 122.356 126.580 -4.224 19642 3674 1 8 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.525 1.042 19642 3675 1 8 . 1 1 17 17 CYS C C 17 173.018 173.018 173.642 -0.624 19642 3676 1 8 . 1 1 17 17 CYS CA C 17 55.708 55.708 57.800 -2.092 19642 3677 1 8 . 1 1 17 17 CYS CB C 17 30.776 30.776 29.884 0.892 19642 3678 1 8 . 1 1 17 17 CYS H H 17 8.931 8.931 8.902 0.029 19642 3679 1 8 . 1 1 18 18 MET N N 18 117.884 117.884 122.765 -4.881 19642 3680 1 8 . 1 1 18 18 MET HA H 18 4.846 4.846 4.186 0.660 19642 3681 1 8 . 1 1 18 18 MET C C 18 173.706 173.706 175.803 -2.097 19642 3682 1 8 . 1 1 18 18 MET CA C 18 53.623 53.623 56.333 -2.710 19642 3683 1 8 . 1 1 18 18 MET CB C 18 31.772 31.772 32.868 -1.096 19642 3684 1 8 . 1 1 18 18 MET H H 18 8.818 8.818 8.445 0.373 19642 3685 1 8 . 1 1 19 19 GLN N N 19 115.022 115.022 118.351 -3.329 19642 3686 1 8 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.397 -0.699 19642 3687 1 8 . 1 1 19 19 GLN C C 19 173.403 173.403 174.691 -1.288 19642 3688 1 8 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.299 2.710 19642 3689 1 8 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.127 -1.205 19642 3690 1 8 . 1 1 19 19 GLN H H 19 8.463 8.463 8.067 0.396 19642 3691 1 8 . 1 1 20 20 LEU N N 20 116.032 116.032 120.544 -4.512 19642 3692 1 8 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.228 0.026 19642 3693 1 8 . 1 1 20 20 LEU C C 20 177.827 177.827 176.575 1.252 19642 3694 1 8 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.791 -2.196 19642 3695 1 8 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.633 0.625 19642 3696 1 8 . 1 1 20 20 LEU H H 20 7.685 7.685 7.747 -0.062 19642 3697 1 8 . 1 1 21 21 ALA N N 21 125.644 125.644 124.702 0.942 19642 3698 1 8 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.309 -0.164 19642 3699 1 8 . 1 1 21 21 ALA C C 21 178.868 178.868 178.069 0.799 19642 3700 1 8 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.743 -0.083 19642 3701 1 8 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.936 -0.581 19642 3702 1 8 . 1 1 21 21 ALA H H 21 9.473 9.473 8.138 1.335 19642 3703 1 8 . 1 1 22 22 ALA N N 22 124.495 124.495 122.701 1.794 19642 3704 1 8 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.133 -0.024 19642 3705 1 8 . 1 1 22 22 ALA C C 22 179.705 179.705 178.089 1.616 19642 3706 1 8 . 1 1 22 22 ALA CA C 22 54.560 54.560 54.119 0.441 19642 3707 1 8 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.737 -0.379 19642 3708 1 8 . 1 1 22 22 ALA H H 22 8.583 8.583 8.632 -0.049 19642 3709 1 8 . 1 1 23 23 ARG N N 23 111.716 111.716 117.075 -5.359 19642 3710 1 8 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.521 -0.153 19642 3711 1 8 . 1 1 23 23 ARG C C 23 176.243 176.243 174.676 1.567 19642 3712 1 8 . 1 1 23 23 ARG CA C 23 55.136 55.136 54.907 0.229 19642 3713 1 8 . 1 1 23 23 ARG CB C 23 29.161 29.161 28.913 0.248 19642 3714 1 8 . 1 1 23 23 ARG H H 23 7.905 7.905 7.899 0.006 19642 3715 1 8 . 1 1 24 24 ILE N N 24 121.734 121.734 121.229 0.505 19642 3716 1 8 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.092 -0.200 19642 3717 1 8 . 1 1 24 24 ILE C C 24 173.297 173.297 176.226 -2.929 19642 3718 1 8 . 1 1 24 24 ILE CA C 24 61.336 61.336 61.540 -0.204 19642 3719 1 8 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.999 -0.248 19642 3720 1 8 . 1 1 24 24 ILE H H 24 7.270 7.270 7.654 -0.384 19642 3721 1 8 . 1 1 25 25 ARG N N 25 125.810 125.810 126.351 -0.541 19642 3722 1 8 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.790 0.165 19642 3723 1 8 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.211 -0.794 19642 3724 1 8 . 1 1 25 25 ARG CB C 25 30.964 30.964 31.253 -0.289 19642 3725 1 8 . 1 1 25 25 ARG H H 25 8.994 8.994 8.814 0.180 19642 3726 1 8 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.381 -0.321 19642 3727 1 8 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.044 1.627 19642 3728 1 8 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.255 -0.795 19642 3729 1 8 . 1 1 27 27 ARG N N 27 114.118 114.118 116.979 -2.861 19642 3730 1 8 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.452 -0.212 19642 3731 1 8 . 1 1 27 27 ARG C C 27 178.376 178.376 177.201 1.175 19642 3732 1 8 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.646 -0.531 19642 3733 1 8 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.783 -0.242 19642 3734 1 8 . 1 1 27 27 ARG H H 27 8.362 8.362 8.283 0.079 19642 3735 1 8 . 1 1 28 28 ASP N N 28 116.954 116.954 120.308 -3.354 19642 3736 1 8 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.438 0.023 19642 3737 1 8 . 1 1 28 28 ASP C C 28 180.328 180.328 178.076 2.252 19642 3738 1 8 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.291 0.236 19642 3739 1 8 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.866 0.698 19642 3740 1 8 . 1 1 28 28 ASP H H 28 7.688 7.688 7.951 -0.263 19642 3741 1 8 . 1 1 29 29 LEU N N 29 117.931 117.931 118.195 -0.264 19642 3742 1 8 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.136 0.181 19642 3743 1 8 . 1 1 29 29 LEU C C 29 178.541 178.541 178.699 -0.158 19642 3744 1 8 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.251 -0.402 19642 3745 1 8 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.156 0.616 19642 3746 1 8 . 1 1 29 29 LEU H H 29 7.173 7.173 7.639 -0.466 19642 3747 1 8 . 1 1 30 30 GLU N N 30 121.321 121.321 118.812 2.509 19642 3748 1 8 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.151 -0.363 19642 3749 1 8 . 1 1 30 30 GLU C C 30 179.497 179.497 178.967 0.530 19642 3750 1 8 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.311 0.988 19642 3751 1 8 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.043 0.629 19642 3752 1 8 . 1 1 30 30 GLU H H 30 8.632 8.632 8.082 0.550 19642 3753 1 8 . 1 1 31 31 GLU N N 31 118.162 118.162 119.536 -1.374 19642 3754 1 8 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.047 0.020 19642 3755 1 8 . 1 1 31 31 GLU C C 31 179.635 179.635 178.656 0.979 19642 3756 1 8 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.807 0.550 19642 3757 1 8 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.550 -0.054 19642 3758 1 8 . 1 1 31 31 GLU H H 31 8.405 8.405 8.436 -0.031 19642 3759 1 8 . 1 1 32 32 PHE N N 32 120.127 120.127 120.243 -0.116 19642 3760 1 8 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.050 0.303 19642 3761 1 8 . 1 1 32 32 PHE C C 32 177.183 177.183 177.647 -0.464 19642 3762 1 8 . 1 1 32 32 PHE CA C 32 60.941 60.941 59.974 0.967 19642 3763 1 8 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.641 1.281 19642 3764 1 8 . 1 1 32 32 PHE H H 32 7.767 7.767 7.462 0.305 19642 3765 1 8 . 1 1 33 33 PHE N N 33 112.879 112.879 114.699 -1.820 19642 3766 1 8 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.217 0.034 19642 3767 1 8 . 1 1 33 33 PHE C C 33 177.304 177.304 177.013 0.291 19642 3768 1 8 . 1 1 33 33 PHE CA C 33 61.179 61.179 58.156 3.023 19642 3769 1 8 . 1 1 33 33 PHE CB C 33 38.580 38.580 37.420 1.160 19642 3770 1 8 . 1 1 33 33 PHE H H 33 8.489 8.489 7.908 0.581 19642 3771 1 8 . 1 1 34 34 SER N N 34 115.870 115.870 114.812 1.058 19642 3772 1 8 . 1 1 34 34 SER HA H 34 5.119 5.119 4.480 0.639 19642 3773 1 8 . 1 1 34 34 SER C C 34 175.464 175.464 176.139 -0.675 19642 3774 1 8 . 1 1 34 34 SER CA C 34 61.268 61.268 60.594 0.674 19642 3775 1 8 . 1 1 34 34 SER CB C 34 62.915 62.915 63.035 -0.120 19642 3776 1 8 . 1 1 34 34 SER H H 34 7.997 7.997 7.718 0.279 19642 3777 1 8 . 1 1 35 35 THR N N 35 110.934 110.934 112.600 -1.666 19642 3778 1 8 . 1 1 35 35 THR HA H 35 4.147 4.147 4.203 -0.056 19642 3779 1 8 . 1 1 35 35 THR C C 35 176.410 176.410 175.704 0.706 19642 3780 1 8 . 1 1 35 35 THR CA C 35 63.756 63.756 64.015 -0.259 19642 3781 1 8 . 1 1 35 35 THR CB C 35 68.802 68.802 69.570 -0.768 19642 3782 1 8 . 1 1 35 35 THR H H 35 7.188 7.188 7.723 -0.535 19642 3783 1 8 . 1 1 36 36 VAL N N 36 111.644 111.644 113.075 -1.431 19642 3784 1 8 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.647 -0.024 19642 3785 1 8 . 1 1 36 36 VAL C C 36 176.046 176.046 175.455 0.591 19642 3786 1 8 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.606 -1.134 19642 3787 1 8 . 1 1 36 36 VAL CB C 36 32.425 32.425 34.045 -1.620 19642 3788 1 8 . 1 1 36 36 VAL H H 36 7.665 7.665 7.476 0.189 19642 3789 1 8 . 1 1 37 37 GLY N N 37 109.343 109.343 108.497 0.846 19642 3790 1 8 . 1 1 37 37 GLY CA C 37 45.269 45.269 44.707 0.562 19642 3791 1 8 . 1 1 37 37 GLY H H 37 7.640 7.640 7.816 -0.176 19642 3792 1 8 . 1 1 38 38 LYS N N 38 117.953 117.953 120.029 -2.076 19642 3793 1 8 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.495 0.044 19642 3794 1 8 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.505 0.219 19642 3795 1 8 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.074 -2.199 19642 3796 1 8 . 1 1 38 38 LYS H H 38 8.246 8.246 7.998 0.248 19642 3797 1 8 . 1 1 39 39 VAL N N 39 128.639 128.639 125.317 3.322 19642 3798 1 8 . 1 1 39 39 VAL HA H 39 3.685 3.685 4.365 -0.680 19642 3799 1 8 . 1 1 39 39 VAL CA C 39 62.816 62.816 61.993 0.823 19642 3800 1 8 . 1 1 39 39 VAL CB C 39 32.992 32.992 33.994 -1.002 19642 3801 1 8 . 1 1 39 39 VAL H H 39 9.126 9.126 8.511 0.615 19642 3802 1 8 . 1 1 40 40 ARG N N 40 129.292 129.292 127.185 2.107 19642 3803 1 8 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.588 -0.309 19642 3804 1 8 . 1 1 40 40 ARG C C 40 175.643 175.643 175.558 0.085 19642 3805 1 8 . 1 1 40 40 ARG CA C 40 56.334 56.334 56.484 -0.150 19642 3806 1 8 . 1 1 40 40 ARG CB C 40 31.660 31.660 32.184 -0.524 19642 3807 1 8 . 1 1 40 40 ARG H H 40 9.573 9.573 9.148 0.425 19642 3808 1 8 . 1 1 41 41 ASP N N 41 116.255 116.255 116.620 -0.365 19642 3809 1 8 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.909 -0.069 19642 3810 1 8 . 1 1 41 41 ASP C C 41 173.674 173.674 173.838 -0.164 19642 3811 1 8 . 1 1 41 41 ASP CA C 41 53.705 53.705 52.946 0.759 19642 3812 1 8 . 1 1 41 41 ASP CB C 41 44.903 44.903 45.427 -0.524 19642 3813 1 8 . 1 1 41 41 ASP H H 41 7.762 7.762 8.006 -0.244 19642 3814 1 8 . 1 1 42 42 VAL N N 42 122.442 122.442 117.427 5.015 19642 3815 1 8 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.552 0.083 19642 3816 1 8 . 1 1 42 42 VAL C C 42 174.714 174.714 174.436 0.278 19642 3817 1 8 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.293 -0.019 19642 3818 1 8 . 1 1 42 42 VAL CB C 42 34.832 34.832 32.800 2.033 19642 3819 1 8 . 1 1 42 42 VAL H H 42 7.939 7.939 8.317 -0.378 19642 3820 1 8 . 1 1 43 43 ARG N N 43 126.687 126.687 128.735 -2.048 19642 3821 1 8 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.695 0.070 19642 3822 1 8 . 1 1 43 43 ARG C C 43 175.278 175.278 175.044 0.234 19642 3823 1 8 . 1 1 43 43 ARG CA C 43 54.378 54.378 55.552 -1.174 19642 3824 1 8 . 1 1 43 43 ARG CB C 43 32.434 32.434 31.726 0.708 19642 3825 1 8 . 1 1 43 43 ARG H H 43 9.171 9.171 8.371 0.800 19642 3826 1 8 . 1 1 44 44 MET N N 44 123.092 123.092 121.676 1.416 19642 3827 1 8 . 1 1 44 44 MET HA H 44 4.906 4.906 4.607 0.299 19642 3828 1 8 . 1 1 44 44 MET C C 44 176.360 176.360 176.102 0.258 19642 3829 1 8 . 1 1 44 44 MET CA C 44 53.152 53.152 55.299 -2.147 19642 3830 1 8 . 1 1 44 44 MET CB C 44 32.940 32.940 33.948 -1.008 19642 3831 1 8 . 1 1 44 44 MET H H 44 8.939 8.939 8.555 0.384 19642 3832 1 8 . 1 1 45 45 ILE N N 45 124.146 124.146 120.763 3.383 19642 3833 1 8 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.336 0.124 19642 3834 1 8 . 1 1 45 45 ILE C C 45 175.961 175.961 176.875 -0.914 19642 3835 1 8 . 1 1 45 45 ILE CA C 45 59.947 59.947 59.664 0.283 19642 3836 1 8 . 1 1 45 45 ILE CB C 45 38.193 38.193 38.301 -0.108 19642 3837 1 8 . 1 1 45 45 ILE H H 45 8.319 8.319 8.028 0.291 19642 3838 1 8 . 1 1 46 46 SER N N 46 121.541 121.541 113.871 7.670 19642 3839 1 8 . 1 1 46 46 SER HA H 46 4.709 4.709 4.120 0.589 19642 3840 1 8 . 1 1 46 46 SER C C 46 174.061 174.061 176.169 -2.108 19642 3841 1 8 . 1 1 46 46 SER CA C 46 57.381 57.381 60.262 -2.881 19642 3842 1 8 . 1 1 46 46 SER CB C 46 64.273 64.273 63.107 1.166 19642 3843 1 8 . 1 1 46 46 SER H H 46 8.653 8.653 8.941 -0.288 19642 3844 1 8 . 1 1 47 47 ASP N N 47 123.132 123.132 120.770 2.362 19642 3845 1 8 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.486 0.172 19642 3846 1 8 . 1 1 47 47 ASP C C 47 177.203 177.203 177.144 0.059 19642 3847 1 8 . 1 1 47 47 ASP CA C 47 53.662 53.662 56.394 -2.732 19642 3848 1 8 . 1 1 47 47 ASP CB C 47 41.920 41.920 40.943 0.977 19642 3849 1 8 . 1 1 47 47 ASP H H 47 8.598 8.598 8.441 0.157 19642 3850 1 8 . 1 1 48 48 ARG N N 48 122.881 122.881 116.521 6.360 19642 3851 1 8 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.552 -0.345 19642 3852 1 8 . 1 1 48 48 ARG C C 48 177.090 177.090 175.486 1.604 19642 3853 1 8 . 1 1 48 48 ARG CA C 48 57.206 57.206 54.747 2.459 19642 3854 1 8 . 1 1 48 48 ARG CB C 48 29.775 29.775 29.725 0.050 19642 3855 1 8 . 1 1 48 48 ARG H H 48 8.648 8.648 8.275 0.373 19642 3856 1 8 . 1 1 49 49 ASN N N 49 117.245 117.245 119.496 -2.251 19642 3857 1 8 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.477 0.269 19642 3858 1 8 . 1 1 49 49 ASN C C 49 175.822 175.822 174.787 1.035 19642 3859 1 8 . 1 1 49 49 ASN CA C 49 53.592 53.592 54.478 -0.886 19642 3860 1 8 . 1 1 49 49 ASN CB C 49 38.910 38.910 37.578 1.332 19642 3861 1 8 . 1 1 49 49 ASN H H 49 8.502 8.502 8.318 0.184 19642 3862 1 8 . 1 1 50 50 SER N N 50 114.891 114.891 113.833 1.058 19642 3863 1 8 . 1 1 50 50 SER HA H 50 4.429 4.429 4.392 0.037 19642 3864 1 8 . 1 1 50 50 SER C C 50 175.339 175.339 174.511 0.828 19642 3865 1 8 . 1 1 50 50 SER CA C 50 58.396 58.396 58.822 -0.426 19642 3866 1 8 . 1 1 50 50 SER CB C 50 63.681 63.681 64.427 -0.745 19642 3867 1 8 . 1 1 50 50 SER H H 50 8.158 8.158 8.153 0.005 19642 3868 1 8 . 1 1 51 51 ARG N N 51 120.957 120.957 124.072 -3.115 19642 3869 1 8 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.551 -0.262 19642 3870 1 8 . 1 1 51 51 ARG C C 51 176.845 176.845 174.673 2.172 19642 3871 1 8 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.069 0.603 19642 3872 1 8 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.693 -1.073 19642 3873 1 8 . 1 1 51 51 ARG H H 51 8.451 8.451 8.130 0.321 19642 3874 1 8 . 1 1 52 52 ARG N N 52 119.405 119.405 123.071 -3.666 19642 3875 1 8 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.728 -0.308 19642 3876 1 8 . 1 1 52 52 ARG CA C 52 55.765 55.765 55.520 0.245 19642 3877 1 8 . 1 1 52 52 ARG CB C 52 30.875 30.875 31.569 -0.694 19642 3878 1 8 . 1 1 52 52 ARG H H 52 8.159 8.159 8.612 -0.453 19642 3879 1 8 . 1 1 53 53 SER N N 53 116.328 116.328 116.604 -0.276 19642 3880 1 8 . 1 1 53 53 SER HA H 53 4.492 4.492 4.399 0.093 19642 3881 1 8 . 1 1 53 53 SER CA C 53 58.142 58.142 58.671 -0.529 19642 3882 1 8 . 1 1 53 53 SER CB C 53 63.447 63.447 63.174 0.273 19642 3883 1 8 . 1 1 53 53 SER H H 53 8.370 8.370 8.716 -0.346 19642 3884 1 8 . 1 1 54 54 LYS N N 54 122.099 122.099 119.329 2.770 19642 3885 1 8 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.105 0.394 19642 3886 1 8 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.191 -1.628 19642 3887 1 8 . 1 1 54 54 LYS CB C 54 33.079 33.079 29.770 3.309 19642 3888 1 8 . 1 1 54 54 LYS H H 54 8.374 8.374 8.140 0.234 19642 3889 1 8 . 1 1 55 55 GLY N N 55 109.513 109.513 107.182 2.331 19642 3890 1 8 . 1 1 55 55 GLY C C 55 172.962 172.962 172.485 0.477 19642 3891 1 8 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.480 1.413 19642 3892 1 8 . 1 1 55 55 GLY H H 55 8.592 8.592 8.256 0.336 19642 3893 1 8 . 1 1 56 56 ILE N N 56 114.180 114.180 115.283 -1.103 19642 3894 1 8 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.370 -0.358 19642 3895 1 8 . 1 1 56 56 ILE C C 56 175.172 175.172 173.531 1.641 19642 3896 1 8 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.225 -0.494 19642 3897 1 8 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.953 0.209 19642 3898 1 8 . 1 1 56 56 ILE H H 56 7.618 7.618 7.753 -0.135 19642 3899 1 8 . 1 1 57 57 ALA N N 57 121.556 121.556 122.658 -1.102 19642 3900 1 8 . 1 1 57 57 ALA HA H 57 5.120 5.120 4.889 0.231 19642 3901 1 8 . 1 1 57 57 ALA C C 57 175.094 175.094 174.849 0.245 19642 3902 1 8 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.413 -0.715 19642 3903 1 8 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.640 1.530 19642 3904 1 8 . 1 1 57 57 ALA H H 57 8.308 8.308 7.989 0.319 19642 3905 1 8 . 1 1 58 58 TYR N N 58 118.387 118.387 117.723 0.664 19642 3906 1 8 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.506 -0.025 19642 3907 1 8 . 1 1 58 58 TYR C C 58 175.537 175.537 175.024 0.513 19642 3908 1 8 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.738 -0.224 19642 3909 1 8 . 1 1 58 58 TYR CB C 58 40.607 40.607 42.492 -1.885 19642 3910 1 8 . 1 1 58 58 TYR H H 58 8.971 8.971 8.238 0.733 19642 3911 1 8 . 1 1 59 59 VAL N N 59 122.978 122.978 119.136 3.842 19642 3912 1 8 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.470 -0.094 19642 3913 1 8 . 1 1 59 59 VAL C C 59 172.631 172.631 174.261 -1.630 19642 3914 1 8 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.435 -0.218 19642 3915 1 8 . 1 1 59 59 VAL CB C 59 33.575 33.575 35.879 -2.304 19642 3916 1 8 . 1 1 59 59 VAL H H 59 8.828 8.828 8.708 0.120 19642 3917 1 8 . 1 1 60 60 GLU N N 60 128.557 128.557 126.668 1.889 19642 3918 1 8 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.921 -0.070 19642 3919 1 8 . 1 1 60 60 GLU C C 60 176.210 176.210 176.004 0.206 19642 3920 1 8 . 1 1 60 60 GLU CA C 60 53.842 53.842 55.073 -1.231 19642 3921 1 8 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.925 2.178 19642 3922 1 8 . 1 1 60 60 GLU H H 60 8.774 8.774 8.804 -0.030 19642 3923 1 8 . 1 1 61 61 PHE N N 61 126.659 126.659 125.032 1.627 19642 3924 1 8 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.676 0.240 19642 3925 1 8 . 1 1 61 61 PHE C C 61 176.011 176.011 177.115 -1.104 19642 3926 1 8 . 1 1 61 61 PHE CA C 61 58.586 58.586 57.220 1.366 19642 3927 1 8 . 1 1 61 61 PHE CB C 61 41.038 41.038 39.725 1.313 19642 3928 1 8 . 1 1 61 61 PHE H H 61 9.340 9.340 9.097 0.243 19642 3929 1 8 . 1 1 62 62 VAL N N 62 118.280 118.280 118.932 -0.652 19642 3930 1 8 . 1 1 62 62 VAL HA H 62 3.743 3.743 4.050 -0.307 19642 3931 1 8 . 1 1 62 62 VAL C C 62 176.097 176.097 175.575 0.522 19642 3932 1 8 . 1 1 62 62 VAL CA C 62 65.785 65.785 63.874 1.911 19642 3933 1 8 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.446 0.365 19642 3934 1 8 . 1 1 62 62 VAL H H 62 8.184 8.184 8.177 0.007 19642 3935 1 8 . 1 1 63 63 ASP N N 63 118.269 118.269 119.309 -1.040 19642 3936 1 8 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.766 0.426 19642 3937 1 8 . 1 1 63 63 ASP C C 63 176.648 176.648 177.172 -0.524 19642 3938 1 8 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.856 -0.217 19642 3939 1 8 . 1 1 63 63 ASP CB C 63 44.569 44.569 42.230 2.339 19642 3940 1 8 . 1 1 63 63 ASP H H 63 8.708 8.708 7.699 1.009 19642 3941 1 8 . 1 1 64 64 VAL N N 64 121.961 121.961 127.145 -5.184 19642 3942 1 8 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.777 0.034 19642 3943 1 8 . 1 1 64 64 VAL C C 64 178.439 178.439 177.077 1.362 19642 3944 1 8 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.971 -0.152 19642 3945 1 8 . 1 1 64 64 VAL CB C 64 32.050 32.050 31.947 0.103 19642 3946 1 8 . 1 1 64 64 VAL H H 64 8.609 8.609 8.889 -0.280 19642 3947 1 8 . 1 1 65 65 SER N N 65 115.305 115.305 113.555 1.750 19642 3948 1 8 . 1 1 65 65 SER HA H 65 4.143 4.143 4.410 -0.267 19642 3949 1 8 . 1 1 65 65 SER C C 65 176.285 176.285 175.027 1.258 19642 3950 1 8 . 1 1 65 65 SER CA C 65 60.158 60.158 59.811 0.347 19642 3951 1 8 . 1 1 65 65 SER CB C 65 62.066 62.066 63.136 -1.070 19642 3952 1 8 . 1 1 65 65 SER H H 65 8.492 8.492 8.632 -0.140 19642 3953 1 8 . 1 1 66 66 SER N N 66 116.053 116.053 117.425 -1.372 19642 3954 1 8 . 1 1 66 66 SER HA H 66 4.024 4.024 4.583 -0.559 19642 3955 1 8 . 1 1 66 66 SER C C 66 174.528 174.528 175.307 -0.779 19642 3956 1 8 . 1 1 66 66 SER CA C 66 60.749 60.749 60.005 0.744 19642 3957 1 8 . 1 1 66 66 SER CB C 66 63.063 63.063 63.206 -0.143 19642 3958 1 8 . 1 1 66 66 SER H H 66 7.414 7.414 7.622 -0.208 19642 3959 1 8 . 1 1 67 67 VAL N N 67 119.830 119.830 122.998 -3.168 19642 3960 1 8 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.482 -0.162 19642 3961 1 8 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.662 0.376 19642 3962 1 8 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.378 -0.180 19642 3963 1 8 . 1 1 67 67 VAL H H 67 7.611 7.611 7.439 0.172 19642 3964 1 8 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.217 0.048 19642 3965 1 8 . 1 1 68 68 PRO C C 68 180.457 180.457 178.553 1.904 19642 3966 1 8 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.776 -0.704 19642 3967 1 8 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.308 -0.570 19642 3968 1 8 . 1 1 69 69 LEU N N 69 115.334 115.334 119.683 -4.349 19642 3969 1 8 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.023 0.076 19642 3970 1 8 . 1 1 69 69 LEU C C 69 179.450 179.450 178.004 1.446 19642 3971 1 8 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.333 -0.891 19642 3972 1 8 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.829 -0.707 19642 3973 1 8 . 1 1 69 69 LEU H H 69 6.284 6.284 7.507 -1.223 19642 3974 1 8 . 1 1 70 70 ALA N N 70 122.703 122.703 120.956 1.747 19642 3975 1 8 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.025 0.150 19642 3976 1 8 . 1 1 70 70 ALA C C 70 180.611 180.611 180.294 0.317 19642 3977 1 8 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.785 0.110 19642 3978 1 8 . 1 1 70 70 ALA CB C 70 19.544 19.544 18.040 1.504 19642 3979 1 8 . 1 1 70 70 ALA H H 70 8.342 8.342 7.863 0.479 19642 3980 1 8 . 1 1 71 71 ILE N N 71 118.692 118.692 119.155 -0.463 19642 3981 1 8 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.661 0.604 19642 3982 1 8 . 1 1 71 71 ILE C C 71 179.971 179.971 178.079 1.892 19642 3983 1 8 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.859 0.258 19642 3984 1 8 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.678 0.922 19642 3985 1 8 . 1 1 71 71 ILE H H 71 8.255 8.255 7.812 0.443 19642 3986 1 8 . 1 1 72 72 GLY N N 72 106.417 106.417 105.845 0.572 19642 3987 1 8 . 1 1 72 72 GLY C C 72 174.590 174.590 175.310 -0.720 19642 3988 1 8 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.524 -0.633 19642 3989 1 8 . 1 1 72 72 GLY H H 72 7.635 7.635 7.825 -0.190 19642 3990 1 8 . 1 1 73 73 LEU N N 73 120.383 120.383 119.751 0.632 19642 3991 1 8 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.626 -0.215 19642 3992 1 8 . 1 1 73 73 LEU C C 73 176.338 176.338 178.207 -1.869 19642 3993 1 8 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.209 0.740 19642 3994 1 8 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.583 -0.990 19642 3995 1 8 . 1 1 73 73 LEU H H 73 7.767 7.767 7.538 0.229 19642 3996 1 8 . 1 1 74 74 THR N N 74 115.157 115.157 117.271 -2.114 19642 3997 1 8 . 1 1 74 74 THR HA H 74 4.060 4.060 3.999 0.061 19642 3998 1 8 . 1 1 74 74 THR C C 74 175.656 175.656 176.001 -0.345 19642 3999 1 8 . 1 1 74 74 THR CA C 74 66.177 66.177 67.250 -1.073 19642 4000 1 8 . 1 1 74 74 THR CB C 74 69.821 69.821 68.769 1.052 19642 4001 1 8 . 1 1 74 74 THR H H 74 7.731 7.731 8.145 -0.414 19642 4002 1 8 . 1 1 75 75 GLY N N 75 117.587 117.587 106.351 11.236 19642 4003 1 8 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.360 0.265 19642 4004 1 8 . 1 1 75 75 GLY H H 75 9.519 9.519 8.537 0.982 19642 4005 1 8 . 1 1 76 76 GLN N N 76 120.027 120.027 119.826 0.201 19642 4006 1 8 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.327 -0.013 19642 4007 1 8 . 1 1 76 76 GLN C C 76 175.015 175.015 175.122 -0.107 19642 4008 1 8 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.823 -0.004 19642 4009 1 8 . 1 1 76 76 GLN CB C 76 28.220 28.220 29.830 -1.610 19642 4010 1 8 . 1 1 76 76 GLN H H 76 8.319 8.319 7.743 0.576 19642 4011 1 8 . 1 1 77 77 ARG N N 77 118.759 118.759 115.798 2.961 19642 4012 1 8 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.521 -0.390 19642 4013 1 8 . 1 1 77 77 ARG C C 77 176.209 176.209 175.007 1.202 19642 4014 1 8 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.297 0.794 19642 4015 1 8 . 1 1 77 77 ARG CB C 77 31.364 31.364 30.128 1.236 19642 4016 1 8 . 1 1 77 77 ARG H H 77 8.544 8.544 8.517 0.027 19642 4017 1 8 . 1 1 78 78 VAL N N 78 123.886 123.886 125.700 -1.814 19642 4018 1 8 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.582 0.253 19642 4019 1 8 . 1 1 78 78 VAL C C 78 176.570 176.570 176.162 0.408 19642 4020 1 8 . 1 1 78 78 VAL CA C 78 61.470 61.470 63.355 -1.885 19642 4021 1 8 . 1 1 78 78 VAL CB C 78 32.202 32.202 29.858 2.344 19642 4022 1 8 . 1 1 78 78 VAL H H 78 8.015 8.015 8.351 -0.336 19642 4023 1 8 . 1 1 79 79 LEU N N 79 129.331 129.331 128.054 1.277 19642 4024 1 8 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.876 -0.044 19642 4025 1 8 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.383 0.390 19642 4026 1 8 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.130 0.411 19642 4027 1 8 . 1 1 79 79 LEU H H 79 9.570 9.570 8.791 0.779 19642 4028 1 8 . 1 1 80 80 GLY N N 80 100.301 100.301 104.434 -4.133 19642 4029 1 8 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.653 0.576 19642 4030 1 8 . 1 1 80 80 GLY H H 80 8.316 8.316 8.065 0.251 19642 4031 1 8 . 1 1 81 81 VAL N N 81 122.763 122.763 123.377 -0.614 19642 4032 1 8 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.478 0.159 19642 4033 1 8 . 1 1 81 81 VAL CA C 81 59.355 59.355 59.295 0.060 19642 4034 1 8 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.120 3.777 19642 4035 1 8 . 1 1 81 81 VAL H H 81 7.632 7.632 7.976 -0.344 19642 4036 1 8 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.700 -0.368 19642 4037 1 8 . 1 1 82 82 PRO C C 82 175.005 175.005 175.759 -0.754 19642 4038 1 8 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.210 0.293 19642 4039 1 8 . 1 1 82 82 PRO CB C 82 31.280 31.280 33.012 -1.732 19642 4040 1 8 . 1 1 83 83 ILE N N 83 126.022 126.022 117.760 8.262 19642 4041 1 8 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.414 0.212 19642 4042 1 8 . 1 1 83 83 ILE C C 83 175.679 175.679 174.457 1.222 19642 4043 1 8 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.743 2.226 19642 4044 1 8 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.659 -0.746 19642 4045 1 8 . 1 1 83 83 ILE H H 83 8.391 8.391 7.744 0.647 19642 4046 1 8 . 1 1 84 84 ILE N N 84 125.284 125.284 122.241 3.043 19642 4047 1 8 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.447 -0.014 19642 4048 1 8 . 1 1 84 84 ILE C C 84 174.418 174.418 177.449 -3.031 19642 4049 1 8 . 1 1 84 84 ILE CA C 84 61.313 61.313 58.562 2.751 19642 4050 1 8 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.763 1.137 19642 4051 1 8 . 1 1 84 84 ILE H H 84 7.842 7.842 8.560 -0.718 19642 4052 1 8 . 1 1 85 85 VAL N N 85 128.143 128.143 121.898 6.245 19642 4053 1 8 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.768 -0.151 19642 4054 1 8 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.215 0.672 19642 4055 1 8 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.619 2.450 19642 4056 1 8 . 1 1 85 85 VAL H H 85 8.400 8.400 8.545 -0.145 19642 4057 1 8 . 1 1 86 86 GLN N N 86 122.965 122.965 119.251 3.714 19642 4058 1 8 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.210 0.693 19642 4059 1 8 . 1 1 86 86 GLN C C 86 175.590 175.590 176.334 -0.744 19642 4060 1 8 . 1 1 86 86 GLN CA C 86 60.756 60.756 56.613 4.143 19642 4061 1 8 . 1 1 86 86 GLN CB C 86 34.013 34.013 29.139 4.874 19642 4062 1 8 . 1 1 86 86 GLN H H 86 9.242 9.242 7.754 1.488 19642 4063 1 8 . 1 1 87 87 ALA N N 87 123.174 123.174 119.562 3.612 19642 4064 1 8 . 1 1 87 87 ALA HA H 87 4.356 4.356 3.883 0.473 19642 4065 1 8 . 1 1 87 87 ALA C C 87 178.095 178.095 176.682 1.413 19642 4066 1 8 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.941 -0.116 19642 4067 1 8 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.136 0.398 19642 4068 1 8 . 1 1 87 87 ALA H H 87 8.907 8.907 7.927 0.980 19642 4069 1 8 . 1 1 88 88 SER N N 88 114.952 114.952 116.959 -2.007 19642 4070 1 8 . 1 1 88 88 SER HA H 88 4.294 4.294 4.541 -0.247 19642 4071 1 8 . 1 1 88 88 SER C C 88 175.470 175.470 174.203 1.267 19642 4072 1 8 . 1 1 88 88 SER CA C 88 59.617 59.617 57.981 1.636 19642 4073 1 8 . 1 1 88 88 SER CB C 88 63.409 63.409 64.334 -0.925 19642 4074 1 8 . 1 1 88 88 SER H H 88 8.343 8.343 8.183 0.160 19642 4075 1 8 . 1 1 89 89 GLN N N 89 121.151 121.151 117.093 4.058 19642 4076 1 8 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.033 0.280 19642 4077 1 8 . 1 1 89 89 GLN C C 89 175.838 175.838 174.215 1.623 19642 4078 1 8 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.622 -1.336 19642 4079 1 8 . 1 1 89 89 GLN CB C 89 29.333 29.333 26.649 2.684 19642 4080 1 8 . 1 1 89 89 GLN H H 89 8.348 8.348 8.596 -0.248 19642 4081 1 8 . 1 1 90 90 ALA N N 90 124.942 124.942 121.948 2.994 19642 4082 1 8 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.522 -0.319 19642 4083 1 8 . 1 1 90 90 ALA C C 90 178.381 178.381 176.455 1.926 19642 4084 1 8 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.752 1.010 19642 4085 1 8 . 1 1 90 90 ALA CB C 90 19.071 19.071 20.450 -1.379 19642 4086 1 8 . 1 1 90 90 ALA H H 90 8.245 8.245 7.902 0.343 19642 4087 1 8 . 1 1 91 91 GLU N N 91 119.604 119.604 118.969 0.635 19642 4088 1 8 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.409 -0.256 19642 4089 1 8 . 1 1 91 91 GLU C C 91 176.986 176.986 175.667 1.319 19642 4090 1 8 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.608 -0.073 19642 4091 1 8 . 1 1 91 91 GLU CB C 91 30.029 30.029 30.109 -0.080 19642 4092 1 8 . 1 1 91 91 GLU H H 91 8.414 8.414 8.487 -0.073 19642 4093 1 8 . 1 1 92 92 LYS N N 92 121.284 121.284 120.296 0.988 19642 4094 1 8 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.533 -0.243 19642 4095 1 8 . 1 1 92 92 LYS C C 92 176.699 176.699 175.699 1.000 19642 4096 1 8 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.967 0.075 19642 4097 1 8 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.566 -0.861 19642 4098 1 8 . 1 1 92 92 LYS H H 92 8.212 8.212 7.652 0.560 19642 4099 1 8 . 1 1 93 93 ASN N N 93 119.221 119.221 117.140 2.081 19642 4100 1 8 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.715 -0.015 19642 4101 1 8 . 1 1 93 93 ASN C C 93 174.424 174.424 175.037 -0.613 19642 4102 1 8 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.049 0.061 19642 4103 1 8 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.930 -0.204 19642 4104 1 8 . 1 1 93 93 ASN H H 93 8.370 8.370 8.520 -0.150 19642 4105 1 9 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.265 0.428 19642 4106 1 9 . 1 1 2 2 HIS C C 2 175.244 175.244 174.199 1.045 19642 4107 1 9 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.745 -0.896 19642 4108 1 9 . 1 1 2 2 HIS CB C 2 30.165 30.165 28.857 1.308 19642 4109 1 9 . 1 1 3 3 MET HA H 3 4.464 4.464 4.605 -0.141 19642 4110 1 9 . 1 1 3 3 MET C C 3 175.896 175.896 175.132 0.764 19642 4111 1 9 . 1 1 3 3 MET CA C 3 55.188 55.188 54.820 0.368 19642 4112 1 9 . 1 1 3 3 MET CB C 3 32.736 32.736 34.850 -2.115 19642 4113 1 9 . 1 1 4 4 ASN N N 4 120.610 120.610 119.678 0.932 19642 4114 1 9 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.523 0.229 19642 4115 1 9 . 1 1 4 4 ASN C C 4 175.033 175.033 173.006 2.027 19642 4116 1 9 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.571 -0.843 19642 4117 1 9 . 1 1 4 4 ASN CB C 4 38.604 38.604 38.615 -0.011 19642 4118 1 9 . 1 1 4 4 ASN H H 4 8.564 8.564 8.430 0.134 19642 4119 1 9 . 1 1 5 5 LEU N N 5 122.314 122.314 125.755 -3.441 19642 4120 1 9 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.691 -0.081 19642 4121 1 9 . 1 1 5 5 LEU C C 5 178.178 178.178 176.460 1.718 19642 4122 1 9 . 1 1 5 5 LEU CA C 5 54.305 54.305 53.813 0.492 19642 4123 1 9 . 1 1 5 5 LEU CB C 5 43.343 43.343 44.263 -0.920 19642 4124 1 9 . 1 1 5 5 LEU H H 5 8.046 8.046 8.382 -0.336 19642 4125 1 9 . 1 1 6 6 THR N N 6 115.483 115.483 115.742 -0.259 19642 4126 1 9 . 1 1 6 6 THR HA H 6 4.626 4.626 4.516 0.110 19642 4127 1 9 . 1 1 6 6 THR CA C 6 60.039 60.039 60.345 -0.306 19642 4128 1 9 . 1 1 6 6 THR CB C 6 68.119 68.119 68.796 -0.677 19642 4129 1 9 . 1 1 6 6 THR H H 6 8.948 8.948 8.165 0.783 19642 4130 1 9 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.263 -0.120 19642 4131 1 9 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.048 0.525 19642 4132 1 9 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.927 -0.287 19642 4133 1 9 . 1 1 8 8 GLU N N 8 116.691 116.691 117.076 -0.385 19642 4134 1 9 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.474 -0.363 19642 4135 1 9 . 1 1 8 8 GLU CA C 8 59.572 59.572 57.413 2.159 19642 4136 1 9 . 1 1 8 8 GLU CB C 8 28.889 28.889 30.371 -1.482 19642 4137 1 9 . 1 1 8 8 GLU H H 8 8.753 8.753 8.138 0.615 19642 4138 1 9 . 1 1 9 9 GLU N N 9 121.235 121.235 120.741 0.494 19642 4139 1 9 . 1 1 9 9 GLU HA H 9 4.041 4.041 3.961 0.080 19642 4140 1 9 . 1 1 9 9 GLU C C 9 180.194 180.194 178.512 1.682 19642 4141 1 9 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.789 -1.262 19642 4142 1 9 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.727 0.839 19642 4143 1 9 . 1 1 9 9 GLU H H 9 7.823 7.823 8.334 -0.511 19642 4144 1 9 . 1 1 10 10 ARG N N 10 120.373 120.373 117.042 3.331 19642 4145 1 9 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.016 -0.129 19642 4146 1 9 . 1 1 10 10 ARG C C 10 180.714 180.714 177.890 2.824 19642 4147 1 9 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.865 0.920 19642 4148 1 9 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.151 -0.280 19642 4149 1 9 . 1 1 10 10 ARG H H 10 8.363 8.363 7.647 0.716 19642 4150 1 9 . 1 1 11 11 ASP N N 11 123.103 123.103 119.212 3.891 19642 4151 1 9 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.566 -0.252 19642 4152 1 9 . 1 1 11 11 ASP C C 11 179.081 179.081 177.355 1.726 19642 4153 1 9 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.279 1.404 19642 4154 1 9 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.297 -1.274 19642 4155 1 9 . 1 1 11 11 ASP H H 11 8.709 8.709 7.873 0.836 19642 4156 1 9 . 1 1 12 12 ALA N N 12 119.926 119.926 121.698 -1.772 19642 4157 1 9 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.202 0.041 19642 4158 1 9 . 1 1 12 12 ALA C C 12 177.593 177.593 179.043 -1.450 19642 4159 1 9 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.640 0.168 19642 4160 1 9 . 1 1 12 12 ALA CB C 12 18.341 18.341 18.378 -0.037 19642 4161 1 9 . 1 1 12 12 ALA H H 12 7.615 7.615 8.182 -0.567 19642 4162 1 9 . 1 1 13 13 ARG N N 13 113.504 113.504 116.558 -3.054 19642 4163 1 9 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.180 0.247 19642 4164 1 9 . 1 1 13 13 ARG C C 13 174.905 174.905 176.740 -1.835 19642 4165 1 9 . 1 1 13 13 ARG CA C 13 55.588 55.588 57.608 -2.021 19642 4166 1 9 . 1 1 13 13 ARG CB C 13 30.789 30.789 30.329 0.460 19642 4167 1 9 . 1 1 13 13 ARG H H 13 7.204 7.204 7.682 -0.478 19642 4168 1 9 . 1 1 14 14 THR N N 14 117.103 117.103 116.982 0.121 19642 4169 1 9 . 1 1 14 14 THR HA H 14 5.589 5.589 4.555 1.034 19642 4170 1 9 . 1 1 14 14 THR C C 14 174.610 174.610 174.705 -0.095 19642 4171 1 9 . 1 1 14 14 THR CA C 14 61.993 61.993 64.998 -3.005 19642 4172 1 9 . 1 1 14 14 THR CB C 14 70.185 70.185 69.040 1.145 19642 4173 1 9 . 1 1 14 14 THR H H 14 7.685 7.685 7.732 -0.047 19642 4174 1 9 . 1 1 15 15 VAL N N 15 117.127 117.127 121.237 -4.110 19642 4175 1 9 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.553 0.527 19642 4176 1 9 . 1 1 15 15 VAL C C 15 173.786 173.786 174.172 -0.386 19642 4177 1 9 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.867 -1.282 19642 4178 1 9 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.624 0.199 19642 4179 1 9 . 1 1 15 15 VAL H H 15 9.154 9.154 8.526 0.628 19642 4180 1 9 . 1 1 16 16 PHE N N 16 122.697 122.697 121.163 1.534 19642 4181 1 9 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.858 0.325 19642 4182 1 9 . 1 1 16 16 PHE C C 16 174.520 174.520 174.802 -0.282 19642 4183 1 9 . 1 1 16 16 PHE CA C 16 54.981 54.981 55.734 -0.753 19642 4184 1 9 . 1 1 16 16 PHE CB C 16 42.266 42.266 39.752 2.514 19642 4185 1 9 . 1 1 16 16 PHE H H 16 9.359 9.359 8.480 0.879 19642 4186 1 9 . 1 1 17 17 CYS N N 17 122.356 122.356 128.768 -6.412 19642 4187 1 9 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.452 1.115 19642 4188 1 9 . 1 1 17 17 CYS C C 17 173.018 173.018 174.277 -1.259 19642 4189 1 9 . 1 1 17 17 CYS CA C 17 55.708 55.708 59.325 -3.617 19642 4190 1 9 . 1 1 17 17 CYS CB C 17 30.776 30.776 26.283 4.493 19642 4191 1 9 . 1 1 17 17 CYS H H 17 8.931 8.931 9.311 -0.380 19642 4192 1 9 . 1 1 18 18 MET N N 18 117.884 117.884 121.891 -4.007 19642 4193 1 9 . 1 1 18 18 MET HA H 18 4.846 4.846 4.207 0.639 19642 4194 1 9 . 1 1 18 18 MET C C 18 173.706 173.706 174.948 -1.242 19642 4195 1 9 . 1 1 18 18 MET CA C 18 53.623 53.623 55.878 -2.255 19642 4196 1 9 . 1 1 18 18 MET CB C 18 31.772 31.772 32.535 -0.763 19642 4197 1 9 . 1 1 18 18 MET H H 18 8.818 8.818 7.412 1.406 19642 4198 1 9 . 1 1 19 19 GLN N N 19 115.022 115.022 118.727 -3.705 19642 4199 1 9 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.473 -0.775 19642 4200 1 9 . 1 1 19 19 GLN C C 19 173.403 173.403 174.083 -0.680 19642 4201 1 9 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.956 2.054 19642 4202 1 9 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.817 -1.895 19642 4203 1 9 . 1 1 19 19 GLN H H 19 8.463 8.463 7.731 0.732 19642 4204 1 9 . 1 1 20 20 LEU N N 20 116.032 116.032 122.171 -6.139 19642 4205 1 9 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.698 -0.444 19642 4206 1 9 . 1 1 20 20 LEU C C 20 177.827 177.827 177.007 0.820 19642 4207 1 9 . 1 1 20 20 LEU CA C 20 52.595 52.595 52.966 -0.371 19642 4208 1 9 . 1 1 20 20 LEU CB C 20 43.258 43.258 44.645 -1.387 19642 4209 1 9 . 1 1 20 20 LEU H H 20 7.685 7.685 7.731 -0.046 19642 4210 1 9 . 1 1 21 21 ALA N N 21 125.644 125.644 122.253 3.391 19642 4211 1 9 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.340 -0.195 19642 4212 1 9 . 1 1 21 21 ALA C C 21 178.868 178.868 178.013 0.855 19642 4213 1 9 . 1 1 21 21 ALA CA C 21 51.661 51.661 52.054 -0.393 19642 4214 1 9 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.037 -0.683 19642 4215 1 9 . 1 1 21 21 ALA H H 21 9.473 9.473 8.260 1.213 19642 4216 1 9 . 1 1 22 22 ALA N N 22 124.495 124.495 121.723 2.772 19642 4217 1 9 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.243 -0.134 19642 4218 1 9 . 1 1 22 22 ALA C C 22 179.705 179.705 177.876 1.829 19642 4219 1 9 . 1 1 22 22 ALA CA C 22 54.560 54.560 53.002 1.558 19642 4220 1 9 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.627 -0.269 19642 4221 1 9 . 1 1 22 22 ALA H H 22 8.583 8.583 8.355 0.228 19642 4222 1 9 . 1 1 23 23 ARG N N 23 111.716 111.716 119.717 -8.001 19642 4223 1 9 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.597 -0.229 19642 4224 1 9 . 1 1 23 23 ARG C C 23 176.243 176.243 174.303 1.940 19642 4225 1 9 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.983 -0.847 19642 4226 1 9 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.251 -1.090 19642 4227 1 9 . 1 1 23 23 ARG H H 23 7.905 7.905 7.836 0.069 19642 4228 1 9 . 1 1 24 24 ILE N N 24 121.734 121.734 121.433 0.301 19642 4229 1 9 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.580 -0.688 19642 4230 1 9 . 1 1 24 24 ILE C C 24 173.297 173.297 175.763 -2.466 19642 4231 1 9 . 1 1 24 24 ILE CA C 24 61.336 61.336 59.616 1.720 19642 4232 1 9 . 1 1 24 24 ILE CB C 24 38.751 38.751 40.511 -1.760 19642 4233 1 9 . 1 1 24 24 ILE H H 24 7.270 7.270 8.406 -1.136 19642 4234 1 9 . 1 1 25 25 ARG N N 25 125.810 125.810 129.556 -3.746 19642 4235 1 9 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.641 0.314 19642 4236 1 9 . 1 1 25 25 ARG CA C 25 52.417 52.417 54.605 -2.188 19642 4237 1 9 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.334 0.630 19642 4238 1 9 . 1 1 25 25 ARG H H 25 8.994 8.994 8.468 0.526 19642 4239 1 9 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.259 -0.199 19642 4240 1 9 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.597 1.075 19642 4241 1 9 . 1 1 26 26 PRO CB C 26 31.460 31.460 31.995 -0.535 19642 4242 1 9 . 1 1 27 27 ARG N N 27 114.118 114.118 117.948 -3.830 19642 4243 1 9 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.286 -0.046 19642 4244 1 9 . 1 1 27 27 ARG C C 27 178.376 178.376 177.574 0.802 19642 4245 1 9 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.803 -0.688 19642 4246 1 9 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.736 -0.195 19642 4247 1 9 . 1 1 27 27 ARG H H 27 8.362 8.362 8.425 -0.063 19642 4248 1 9 . 1 1 28 28 ASP N N 28 116.954 116.954 120.207 -3.253 19642 4249 1 9 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.437 0.024 19642 4250 1 9 . 1 1 28 28 ASP C C 28 180.328 180.328 178.539 1.789 19642 4251 1 9 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.217 0.310 19642 4252 1 9 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.313 1.251 19642 4253 1 9 . 1 1 28 28 ASP H H 28 7.688 7.688 8.020 -0.332 19642 4254 1 9 . 1 1 29 29 LEU N N 29 117.931 117.931 118.942 -1.011 19642 4255 1 9 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.044 0.273 19642 4256 1 9 . 1 1 29 29 LEU C C 29 178.541 178.541 178.493 0.048 19642 4257 1 9 . 1 1 29 29 LEU CA C 29 56.849 56.849 56.915 -0.066 19642 4258 1 9 . 1 1 29 29 LEU CB C 29 41.772 41.772 40.901 0.871 19642 4259 1 9 . 1 1 29 29 LEU H H 29 7.173 7.173 7.598 -0.425 19642 4260 1 9 . 1 1 30 30 GLU N N 30 121.321 121.321 119.389 1.932 19642 4261 1 9 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.172 -0.384 19642 4262 1 9 . 1 1 30 30 GLU C C 30 179.497 179.497 178.879 0.618 19642 4263 1 9 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.532 0.767 19642 4264 1 9 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.264 0.408 19642 4265 1 9 . 1 1 30 30 GLU H H 30 8.632 8.632 7.688 0.944 19642 4266 1 9 . 1 1 31 31 GLU N N 31 118.162 118.162 119.306 -1.144 19642 4267 1 9 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.119 -0.052 19642 4268 1 9 . 1 1 31 31 GLU C C 31 179.635 179.635 178.401 1.234 19642 4269 1 9 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.940 0.417 19642 4270 1 9 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.441 0.055 19642 4271 1 9 . 1 1 31 31 GLU H H 31 8.405 8.405 8.392 0.013 19642 4272 1 9 . 1 1 32 32 PHE N N 32 120.127 120.127 120.065 0.062 19642 4273 1 9 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.170 0.183 19642 4274 1 9 . 1 1 32 32 PHE C C 32 177.183 177.183 177.899 -0.716 19642 4275 1 9 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.033 0.908 19642 4276 1 9 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.737 1.185 19642 4277 1 9 . 1 1 32 32 PHE H H 32 7.767 7.767 7.546 0.221 19642 4278 1 9 . 1 1 33 33 PHE N N 33 112.879 112.879 117.417 -4.538 19642 4279 1 9 . 1 1 33 33 PHE HA H 33 4.251 4.251 3.996 0.255 19642 4280 1 9 . 1 1 33 33 PHE C C 33 177.304 177.304 177.995 -0.691 19642 4281 1 9 . 1 1 33 33 PHE CA C 33 61.179 61.179 59.257 1.922 19642 4282 1 9 . 1 1 33 33 PHE CB C 33 38.580 38.580 37.797 0.783 19642 4283 1 9 . 1 1 33 33 PHE H H 33 8.489 8.489 7.680 0.809 19642 4284 1 9 . 1 1 34 34 SER N N 34 115.870 115.870 115.246 0.624 19642 4285 1 9 . 1 1 34 34 SER HA H 34 5.119 5.119 4.422 0.697 19642 4286 1 9 . 1 1 34 34 SER C C 34 175.464 175.464 176.893 -1.429 19642 4287 1 9 . 1 1 34 34 SER CA C 34 61.268 61.268 61.108 0.160 19642 4288 1 9 . 1 1 34 34 SER CB C 34 62.915 62.915 62.821 0.094 19642 4289 1 9 . 1 1 34 34 SER H H 34 7.997 7.997 8.084 -0.087 19642 4290 1 9 . 1 1 35 35 THR N N 35 110.934 110.934 116.797 -5.863 19642 4291 1 9 . 1 1 35 35 THR HA H 35 4.147 4.147 4.201 -0.054 19642 4292 1 9 . 1 1 35 35 THR C C 35 176.410 176.410 175.214 1.196 19642 4293 1 9 . 1 1 35 35 THR CA C 35 63.756 63.756 64.512 -0.756 19642 4294 1 9 . 1 1 35 35 THR CB C 35 68.802 68.802 68.901 -0.099 19642 4295 1 9 . 1 1 35 35 THR H H 35 7.188 7.188 7.573 -0.385 19642 4296 1 9 . 1 1 36 36 VAL N N 36 111.644 111.644 113.205 -1.561 19642 4297 1 9 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.645 -0.022 19642 4298 1 9 . 1 1 36 36 VAL C C 36 176.046 176.046 174.132 1.914 19642 4299 1 9 . 1 1 36 36 VAL CA C 36 60.472 60.472 60.901 -0.429 19642 4300 1 9 . 1 1 36 36 VAL CB C 36 32.425 32.425 32.655 -0.230 19642 4301 1 9 . 1 1 36 36 VAL H H 36 7.665 7.665 7.750 -0.085 19642 4302 1 9 . 1 1 37 37 GLY N N 37 109.343 109.343 108.703 0.640 19642 4303 1 9 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.714 -0.445 19642 4304 1 9 . 1 1 37 37 GLY H H 37 7.640 7.640 7.632 0.008 19642 4305 1 9 . 1 1 38 38 LYS N N 38 117.953 117.953 119.006 -1.053 19642 4306 1 9 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.479 0.060 19642 4307 1 9 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.244 0.480 19642 4308 1 9 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.180 -2.305 19642 4309 1 9 . 1 1 38 38 LYS H H 38 8.246 8.246 8.002 0.244 19642 4310 1 9 . 1 1 39 39 VAL N N 39 128.639 128.639 121.594 7.045 19642 4311 1 9 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.630 0.055 19642 4312 1 9 . 1 1 39 39 VAL CA C 39 62.816 62.816 60.978 1.838 19642 4313 1 9 . 1 1 39 39 VAL CB C 39 32.992 32.992 33.884 -0.892 19642 4314 1 9 . 1 1 39 39 VAL H H 39 9.126 9.126 8.449 0.677 19642 4315 1 9 . 1 1 40 40 ARG N N 40 129.292 129.292 127.125 2.167 19642 4316 1 9 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.221 0.058 19642 4317 1 9 . 1 1 40 40 ARG C C 40 175.643 175.643 175.901 -0.258 19642 4318 1 9 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.531 -1.197 19642 4319 1 9 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.420 0.240 19642 4320 1 9 . 1 1 40 40 ARG H H 40 9.573 9.573 8.914 0.659 19642 4321 1 9 . 1 1 41 41 ASP N N 41 116.255 116.255 116.848 -0.593 19642 4322 1 9 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.855 -0.015 19642 4323 1 9 . 1 1 41 41 ASP C C 41 173.674 173.674 174.117 -0.443 19642 4324 1 9 . 1 1 41 41 ASP CA C 41 53.705 53.705 52.960 0.745 19642 4325 1 9 . 1 1 41 41 ASP CB C 41 44.903 44.903 43.977 0.926 19642 4326 1 9 . 1 1 41 41 ASP H H 41 7.762 7.762 7.643 0.119 19642 4327 1 9 . 1 1 42 42 VAL N N 42 122.442 122.442 118.456 3.986 19642 4328 1 9 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.203 0.432 19642 4329 1 9 . 1 1 42 42 VAL C C 42 174.714 174.714 175.652 -0.938 19642 4330 1 9 . 1 1 42 42 VAL CA C 42 61.274 61.274 62.126 -0.852 19642 4331 1 9 . 1 1 42 42 VAL CB C 42 34.832 34.832 32.409 2.423 19642 4332 1 9 . 1 1 42 42 VAL H H 42 7.939 7.939 8.419 -0.480 19642 4333 1 9 . 1 1 43 43 ARG N N 43 126.687 126.687 121.596 5.091 19642 4334 1 9 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.628 0.137 19642 4335 1 9 . 1 1 43 43 ARG C C 43 175.278 175.278 174.509 0.769 19642 4336 1 9 . 1 1 43 43 ARG CA C 43 54.378 54.378 55.921 -1.543 19642 4337 1 9 . 1 1 43 43 ARG CB C 43 32.434 32.434 32.259 0.175 19642 4338 1 9 . 1 1 43 43 ARG H H 43 9.171 9.171 8.335 0.836 19642 4339 1 9 . 1 1 44 44 MET N N 44 123.092 123.092 122.299 0.793 19642 4340 1 9 . 1 1 44 44 MET HA H 44 4.906 4.906 5.016 -0.110 19642 4341 1 9 . 1 1 44 44 MET C C 44 176.360 176.360 175.500 0.860 19642 4342 1 9 . 1 1 44 44 MET CA C 44 53.152 53.152 54.409 -1.257 19642 4343 1 9 . 1 1 44 44 MET CB C 44 32.940 32.940 35.374 -2.434 19642 4344 1 9 . 1 1 44 44 MET H H 44 8.939 8.939 8.309 0.630 19642 4345 1 9 . 1 1 45 45 ILE N N 45 124.146 124.146 123.686 0.460 19642 4346 1 9 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.272 0.188 19642 4347 1 9 . 1 1 45 45 ILE C C 45 175.961 175.961 175.414 0.547 19642 4348 1 9 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.912 -0.965 19642 4349 1 9 . 1 1 45 45 ILE CB C 45 38.193 38.193 35.510 2.683 19642 4350 1 9 . 1 1 45 45 ILE H H 45 8.319 8.319 8.861 -0.542 19642 4351 1 9 . 1 1 46 46 SER N N 46 121.541 121.541 119.517 2.024 19642 4352 1 9 . 1 1 46 46 SER HA H 46 4.709 4.709 4.450 0.259 19642 4353 1 9 . 1 1 46 46 SER C C 46 174.061 174.061 174.987 -0.926 19642 4354 1 9 . 1 1 46 46 SER CA C 46 57.381 57.381 58.748 -1.367 19642 4355 1 9 . 1 1 46 46 SER CB C 46 64.273 64.273 63.330 0.943 19642 4356 1 9 . 1 1 46 46 SER H H 46 8.653 8.653 7.901 0.752 19642 4357 1 9 . 1 1 47 47 ASP N N 47 123.132 123.132 121.230 1.902 19642 4358 1 9 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.685 -0.027 19642 4359 1 9 . 1 1 47 47 ASP C C 47 177.203 177.203 175.910 1.293 19642 4360 1 9 . 1 1 47 47 ASP CA C 47 53.662 53.662 53.727 -0.065 19642 4361 1 9 . 1 1 47 47 ASP CB C 47 41.920 41.920 40.689 1.231 19642 4362 1 9 . 1 1 47 47 ASP H H 47 8.598 8.598 8.091 0.507 19642 4363 1 9 . 1 1 48 48 ARG N N 48 122.881 122.881 116.810 6.071 19642 4364 1 9 . 1 1 48 48 ARG HA H 48 4.207 4.207 3.962 0.245 19642 4365 1 9 . 1 1 48 48 ARG C C 48 177.090 177.090 174.925 2.165 19642 4366 1 9 . 1 1 48 48 ARG CA C 48 57.206 57.206 57.466 -0.260 19642 4367 1 9 . 1 1 48 48 ARG CB C 48 29.775 29.775 29.302 0.473 19642 4368 1 9 . 1 1 48 48 ARG H H 48 8.648 8.648 8.168 0.480 19642 4369 1 9 . 1 1 49 49 ASN N N 49 117.245 117.245 115.411 1.834 19642 4370 1 9 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.695 0.051 19642 4371 1 9 . 1 1 49 49 ASN C C 49 175.822 175.822 174.747 1.075 19642 4372 1 9 . 1 1 49 49 ASN CA C 49 53.592 53.592 52.851 0.741 19642 4373 1 9 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.966 -0.056 19642 4374 1 9 . 1 1 49 49 ASN H H 49 8.502 8.502 8.318 0.184 19642 4375 1 9 . 1 1 50 50 SER N N 50 114.891 114.891 114.428 0.463 19642 4376 1 9 . 1 1 50 50 SER HA H 50 4.429 4.429 4.200 0.229 19642 4377 1 9 . 1 1 50 50 SER C C 50 175.339 175.339 173.943 1.396 19642 4378 1 9 . 1 1 50 50 SER CA C 50 58.396 58.396 59.753 -1.357 19642 4379 1 9 . 1 1 50 50 SER CB C 50 63.681 63.681 62.986 0.695 19642 4380 1 9 . 1 1 50 50 SER H H 50 8.158 8.158 8.366 -0.208 19642 4381 1 9 . 1 1 51 51 ARG N N 51 120.957 120.957 120.735 0.222 19642 4382 1 9 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.572 -0.283 19642 4383 1 9 . 1 1 51 51 ARG C C 51 176.845 176.845 175.527 1.318 19642 4384 1 9 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.662 0.010 19642 4385 1 9 . 1 1 51 51 ARG CB C 51 29.620 29.620 31.632 -2.012 19642 4386 1 9 . 1 1 51 51 ARG H H 51 8.451 8.451 8.145 0.306 19642 4387 1 9 . 1 1 52 52 ARG N N 52 119.405 119.405 119.295 0.110 19642 4388 1 9 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.191 0.229 19642 4389 1 9 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.420 -0.655 19642 4390 1 9 . 1 1 52 52 ARG CB C 52 30.875 30.875 27.517 3.358 19642 4391 1 9 . 1 1 52 52 ARG H H 52 8.159 8.159 8.791 -0.632 19642 4392 1 9 . 1 1 53 53 SER N N 53 116.328 116.328 116.595 -0.267 19642 4393 1 9 . 1 1 53 53 SER HA H 53 4.492 4.492 4.222 0.270 19642 4394 1 9 . 1 1 53 53 SER CA C 53 58.142 58.142 59.353 -1.211 19642 4395 1 9 . 1 1 53 53 SER CB C 53 63.447 63.447 62.935 0.512 19642 4396 1 9 . 1 1 53 53 SER H H 53 8.370 8.370 8.756 -0.386 19642 4397 1 9 . 1 1 54 54 LYS N N 54 122.099 122.099 116.164 5.935 19642 4398 1 9 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.090 0.409 19642 4399 1 9 . 1 1 54 54 LYS CA C 54 55.563 55.563 56.759 -1.196 19642 4400 1 9 . 1 1 54 54 LYS CB C 54 33.079 33.079 31.201 1.878 19642 4401 1 9 . 1 1 54 54 LYS H H 54 8.374 8.374 8.229 0.145 19642 4402 1 9 . 1 1 55 55 GLY N N 55 109.513 109.513 104.762 4.751 19642 4403 1 9 . 1 1 55 55 GLY C C 55 172.962 172.962 171.840 1.122 19642 4404 1 9 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.985 0.909 19642 4405 1 9 . 1 1 55 55 GLY H H 55 8.592 8.592 7.757 0.835 19642 4406 1 9 . 1 1 56 56 ILE N N 56 114.180 114.180 117.432 -3.252 19642 4407 1 9 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.339 -0.327 19642 4408 1 9 . 1 1 56 56 ILE C C 56 175.172 175.172 173.730 1.442 19642 4409 1 9 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.797 -0.066 19642 4410 1 9 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.683 0.479 19642 4411 1 9 . 1 1 56 56 ILE H H 56 7.618 7.618 7.743 -0.125 19642 4412 1 9 . 1 1 57 57 ALA N N 57 121.556 121.556 125.988 -4.432 19642 4413 1 9 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.075 0.044 19642 4414 1 9 . 1 1 57 57 ALA C C 57 175.094 175.094 174.925 0.169 19642 4415 1 9 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.737 -1.038 19642 4416 1 9 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.912 1.258 19642 4417 1 9 . 1 1 57 57 ALA H H 57 8.308 8.308 8.457 -0.149 19642 4418 1 9 . 1 1 58 58 TYR N N 58 118.387 118.387 120.550 -2.163 19642 4419 1 9 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.304 0.177 19642 4420 1 9 . 1 1 58 58 TYR C C 58 175.537 175.537 175.229 0.308 19642 4421 1 9 . 1 1 58 58 TYR CA C 58 56.514 56.514 57.091 -0.577 19642 4422 1 9 . 1 1 58 58 TYR CB C 58 40.607 40.607 40.984 -0.377 19642 4423 1 9 . 1 1 58 58 TYR H H 58 8.971 8.971 8.774 0.197 19642 4424 1 9 . 1 1 59 59 VAL N N 59 122.978 122.978 120.168 2.810 19642 4425 1 9 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.691 -0.315 19642 4426 1 9 . 1 1 59 59 VAL C C 59 172.631 172.631 175.634 -3.003 19642 4427 1 9 . 1 1 59 59 VAL CA C 59 61.217 61.217 59.888 1.329 19642 4428 1 9 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.208 -0.633 19642 4429 1 9 . 1 1 59 59 VAL H H 59 8.828 8.828 8.472 0.356 19642 4430 1 9 . 1 1 60 60 GLU N N 60 128.557 128.557 126.909 1.648 19642 4431 1 9 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.372 0.479 19642 4432 1 9 . 1 1 60 60 GLU C C 60 176.210 176.210 175.561 0.649 19642 4433 1 9 . 1 1 60 60 GLU CA C 60 53.842 53.842 56.229 -2.387 19642 4434 1 9 . 1 1 60 60 GLU CB C 60 33.103 33.103 29.953 3.150 19642 4435 1 9 . 1 1 60 60 GLU H H 60 8.774 8.774 8.909 -0.135 19642 4436 1 9 . 1 1 61 61 PHE N N 61 126.659 126.659 125.113 1.546 19642 4437 1 9 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.391 0.525 19642 4438 1 9 . 1 1 61 61 PHE C C 61 176.011 176.011 175.913 0.098 19642 4439 1 9 . 1 1 61 61 PHE CA C 61 58.586 58.586 59.495 -0.909 19642 4440 1 9 . 1 1 61 61 PHE CB C 61 41.038 41.038 40.406 0.632 19642 4441 1 9 . 1 1 61 61 PHE H H 61 9.340 9.340 8.088 1.252 19642 4442 1 9 . 1 1 62 62 VAL N N 62 118.280 118.280 119.601 -1.321 19642 4443 1 9 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.977 -0.234 19642 4444 1 9 . 1 1 62 62 VAL C C 62 176.097 176.097 176.048 0.049 19642 4445 1 9 . 1 1 62 62 VAL CA C 62 65.785 65.785 62.931 2.854 19642 4446 1 9 . 1 1 62 62 VAL CB C 62 32.811 32.811 31.978 0.833 19642 4447 1 9 . 1 1 62 62 VAL H H 62 8.184 8.184 7.746 0.438 19642 4448 1 9 . 1 1 63 63 ASP N N 63 118.269 118.269 118.418 -0.149 19642 4449 1 9 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.844 0.348 19642 4450 1 9 . 1 1 63 63 ASP C C 63 176.648 176.648 175.794 0.854 19642 4451 1 9 . 1 1 63 63 ASP CA C 63 52.639 52.639 53.223 -0.584 19642 4452 1 9 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.605 0.964 19642 4453 1 9 . 1 1 63 63 ASP H H 63 8.708 8.708 7.922 0.786 19642 4454 1 9 . 1 1 64 64 VAL N N 64 121.961 121.961 119.681 2.280 19642 4455 1 9 . 1 1 64 64 VAL HA H 64 3.811 3.811 4.165 -0.354 19642 4456 1 9 . 1 1 64 64 VAL C C 64 178.439 178.439 177.054 1.385 19642 4457 1 9 . 1 1 64 64 VAL CA C 64 64.819 64.819 63.874 0.945 19642 4458 1 9 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.901 -0.851 19642 4459 1 9 . 1 1 64 64 VAL H H 64 8.609 8.609 8.387 0.222 19642 4460 1 9 . 1 1 65 65 SER N N 65 115.305 115.305 117.182 -1.877 19642 4461 1 9 . 1 1 65 65 SER HA H 65 4.143 4.143 4.199 -0.056 19642 4462 1 9 . 1 1 65 65 SER C C 65 176.285 176.285 175.971 0.314 19642 4463 1 9 . 1 1 65 65 SER CA C 65 60.158 60.158 61.142 -0.984 19642 4464 1 9 . 1 1 65 65 SER CB C 65 62.066 62.066 62.868 -0.802 19642 4465 1 9 . 1 1 65 65 SER H H 65 8.492 8.492 9.103 -0.611 19642 4466 1 9 . 1 1 66 66 SER N N 66 116.053 116.053 117.307 -1.254 19642 4467 1 9 . 1 1 66 66 SER HA H 66 4.024 4.024 4.088 -0.064 19642 4468 1 9 . 1 1 66 66 SER C C 66 174.528 174.528 175.380 -0.852 19642 4469 1 9 . 1 1 66 66 SER CA C 66 60.749 60.749 60.940 -0.191 19642 4470 1 9 . 1 1 66 66 SER CB C 66 63.063 63.063 62.555 0.508 19642 4471 1 9 . 1 1 66 66 SER H H 66 7.414 7.414 7.950 -0.536 19642 4472 1 9 . 1 1 67 67 VAL N N 67 119.830 119.830 121.939 -2.109 19642 4473 1 9 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.665 -0.345 19642 4474 1 9 . 1 1 67 67 VAL CA C 67 69.038 69.038 67.900 1.138 19642 4475 1 9 . 1 1 67 67 VAL CB C 67 29.198 29.198 28.746 0.452 19642 4476 1 9 . 1 1 67 67 VAL H H 67 7.611 7.611 7.681 -0.070 19642 4477 1 9 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.241 0.024 19642 4478 1 9 . 1 1 68 68 PRO C C 68 180.457 180.457 178.659 1.798 19642 4479 1 9 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.371 -0.299 19642 4480 1 9 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.205 -0.467 19642 4481 1 9 . 1 1 69 69 LEU N N 69 115.334 115.334 119.388 -4.054 19642 4482 1 9 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.001 0.098 19642 4483 1 9 . 1 1 69 69 LEU C C 69 179.450 179.450 178.541 0.909 19642 4484 1 9 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.192 -0.750 19642 4485 1 9 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.693 -0.571 19642 4486 1 9 . 1 1 69 69 LEU H H 69 6.284 6.284 7.006 -0.722 19642 4487 1 9 . 1 1 70 70 ALA N N 70 122.703 122.703 121.859 0.844 19642 4488 1 9 . 1 1 70 70 ALA HA H 70 4.175 4.175 3.976 0.199 19642 4489 1 9 . 1 1 70 70 ALA C C 70 180.611 180.611 179.929 0.682 19642 4490 1 9 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.803 0.092 19642 4491 1 9 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.908 1.636 19642 4492 1 9 . 1 1 70 70 ALA H H 70 8.342 8.342 7.646 0.696 19642 4493 1 9 . 1 1 71 71 ILE N N 71 118.692 118.692 117.541 1.151 19642 4494 1 9 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.700 0.565 19642 4495 1 9 . 1 1 71 71 ILE C C 71 179.971 179.971 177.995 1.976 19642 4496 1 9 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.568 0.549 19642 4497 1 9 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.508 1.092 19642 4498 1 9 . 1 1 71 71 ILE H H 71 8.255 8.255 7.756 0.499 19642 4499 1 9 . 1 1 72 72 GLY N N 72 106.417 106.417 106.713 -0.296 19642 4500 1 9 . 1 1 72 72 GLY C C 72 174.590 174.590 174.881 -0.291 19642 4501 1 9 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.436 -0.545 19642 4502 1 9 . 1 1 72 72 GLY H H 72 7.635 7.635 7.696 -0.061 19642 4503 1 9 . 1 1 73 73 LEU N N 73 120.383 120.383 120.459 -0.076 19642 4504 1 9 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.760 -0.349 19642 4505 1 9 . 1 1 73 73 LEU C C 73 176.338 176.338 178.206 -1.868 19642 4506 1 9 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.063 0.886 19642 4507 1 9 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.227 -1.634 19642 4508 1 9 . 1 1 73 73 LEU H H 73 7.767 7.767 7.554 0.213 19642 4509 1 9 . 1 1 74 74 THR N N 74 115.157 115.157 117.397 -2.240 19642 4510 1 9 . 1 1 74 74 THR HA H 74 4.060 4.060 4.235 -0.175 19642 4511 1 9 . 1 1 74 74 THR C C 74 175.656 175.656 176.078 -0.422 19642 4512 1 9 . 1 1 74 74 THR CA C 74 66.177 66.177 66.335 -0.158 19642 4513 1 9 . 1 1 74 74 THR CB C 74 69.821 69.821 68.784 1.037 19642 4514 1 9 . 1 1 74 74 THR H H 74 7.731 7.731 7.526 0.205 19642 4515 1 9 . 1 1 75 75 GLY N N 75 117.587 117.587 107.020 10.567 19642 4516 1 9 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.212 0.413 19642 4517 1 9 . 1 1 75 75 GLY H H 75 9.519 9.519 8.385 1.134 19642 4518 1 9 . 1 1 76 76 GLN N N 76 120.027 120.027 120.024 0.003 19642 4519 1 9 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.474 -0.160 19642 4520 1 9 . 1 1 76 76 GLN C C 76 175.015 175.015 174.565 0.450 19642 4521 1 9 . 1 1 76 76 GLN CA C 76 55.819 55.819 54.928 0.891 19642 4522 1 9 . 1 1 76 76 GLN CB C 76 28.220 28.220 30.530 -2.310 19642 4523 1 9 . 1 1 76 76 GLN H H 76 8.319 8.319 7.899 0.420 19642 4524 1 9 . 1 1 77 77 ARG N N 77 118.759 118.759 116.248 2.511 19642 4525 1 9 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.629 -0.498 19642 4526 1 9 . 1 1 77 77 ARG C C 77 176.209 176.209 175.090 1.119 19642 4527 1 9 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.288 0.803 19642 4528 1 9 . 1 1 77 77 ARG CB C 77 31.364 31.364 29.991 1.373 19642 4529 1 9 . 1 1 77 77 ARG H H 77 8.544 8.544 8.463 0.081 19642 4530 1 9 . 1 1 78 78 VAL N N 78 123.886 123.886 121.233 2.653 19642 4531 1 9 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.781 0.054 19642 4532 1 9 . 1 1 78 78 VAL C C 78 176.570 176.570 176.011 0.559 19642 4533 1 9 . 1 1 78 78 VAL CA C 78 61.470 61.470 62.973 -1.503 19642 4534 1 9 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.265 0.937 19642 4535 1 9 . 1 1 78 78 VAL H H 78 8.015 8.015 7.876 0.139 19642 4536 1 9 . 1 1 79 79 LEU N N 79 129.331 129.331 126.809 2.522 19642 4537 1 9 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.829 0.003 19642 4538 1 9 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.241 0.532 19642 4539 1 9 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.199 0.342 19642 4540 1 9 . 1 1 79 79 LEU H H 79 9.570 9.570 8.808 0.762 19642 4541 1 9 . 1 1 80 80 GLY N N 80 100.301 100.301 104.984 -4.683 19642 4542 1 9 . 1 1 80 80 GLY CA C 80 45.229 45.229 45.077 0.152 19642 4543 1 9 . 1 1 80 80 GLY H H 80 8.316 8.316 8.024 0.292 19642 4544 1 9 . 1 1 81 81 VAL N N 81 122.763 122.763 121.037 1.726 19642 4545 1 9 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.350 0.287 19642 4546 1 9 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.752 0.603 19642 4547 1 9 . 1 1 81 81 VAL CB C 81 34.897 34.897 32.955 1.942 19642 4548 1 9 . 1 1 81 81 VAL H H 81 7.632 7.632 7.555 0.077 19642 4549 1 9 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.716 -0.384 19642 4550 1 9 . 1 1 82 82 PRO C C 82 175.005 175.005 175.861 -0.856 19642 4551 1 9 . 1 1 82 82 PRO CA C 82 62.503 62.503 61.748 0.755 19642 4552 1 9 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.665 -1.385 19642 4553 1 9 . 1 1 83 83 ILE N N 83 126.022 126.022 118.687 7.335 19642 4554 1 9 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.418 0.208 19642 4555 1 9 . 1 1 83 83 ILE C C 83 175.679 175.679 174.191 1.488 19642 4556 1 9 . 1 1 83 83 ILE CA C 83 60.969 60.969 59.013 1.956 19642 4557 1 9 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.836 -0.923 19642 4558 1 9 . 1 1 83 83 ILE H H 83 8.391 8.391 7.758 0.633 19642 4559 1 9 . 1 1 84 84 ILE N N 84 125.284 125.284 126.487 -1.203 19642 4560 1 9 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.284 0.149 19642 4561 1 9 . 1 1 84 84 ILE C C 84 174.418 174.418 177.514 -3.096 19642 4562 1 9 . 1 1 84 84 ILE CA C 84 61.313 61.313 60.012 1.301 19642 4563 1 9 . 1 1 84 84 ILE CB C 84 39.900 39.900 37.594 2.306 19642 4564 1 9 . 1 1 84 84 ILE H H 84 7.842 7.842 8.524 -0.682 19642 4565 1 9 . 1 1 85 85 VAL N N 85 128.143 128.143 121.489 6.654 19642 4566 1 9 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.739 -0.122 19642 4567 1 9 . 1 1 85 85 VAL CA C 85 64.887 64.887 63.924 0.963 19642 4568 1 9 . 1 1 85 85 VAL CB C 85 34.069 34.069 32.067 2.002 19642 4569 1 9 . 1 1 85 85 VAL H H 85 8.400 8.400 8.405 -0.005 19642 4570 1 9 . 1 1 86 86 GLN N N 86 122.965 122.965 118.796 4.169 19642 4571 1 9 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.136 0.767 19642 4572 1 9 . 1 1 86 86 GLN C C 86 175.590 175.590 176.401 -0.811 19642 4573 1 9 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.299 3.457 19642 4574 1 9 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.743 5.270 19642 4575 1 9 . 1 1 86 86 GLN H H 86 9.242 9.242 7.746 1.496 19642 4576 1 9 . 1 1 87 87 ALA N N 87 123.174 123.174 119.696 3.478 19642 4577 1 9 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.115 0.241 19642 4578 1 9 . 1 1 87 87 ALA C C 87 178.095 178.095 176.003 2.092 19642 4579 1 9 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.933 -0.108 19642 4580 1 9 . 1 1 87 87 ALA CB C 87 18.534 18.534 17.933 0.601 19642 4581 1 9 . 1 1 87 87 ALA H H 87 8.907 8.907 8.016 0.891 19642 4582 1 9 . 1 1 88 88 SER N N 88 114.952 114.952 116.212 -1.260 19642 4583 1 9 . 1 1 88 88 SER HA H 88 4.294 4.294 4.677 -0.383 19642 4584 1 9 . 1 1 88 88 SER C C 88 175.470 175.470 173.910 1.560 19642 4585 1 9 . 1 1 88 88 SER CA C 88 59.617 59.617 57.871 1.746 19642 4586 1 9 . 1 1 88 88 SER CB C 88 63.409 63.409 63.968 -0.559 19642 4587 1 9 . 1 1 88 88 SER H H 88 8.343 8.343 8.514 -0.171 19642 4588 1 9 . 1 1 89 89 GLN N N 89 121.151 121.151 121.829 -0.678 19642 4589 1 9 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.606 -0.293 19642 4590 1 9 . 1 1 89 89 GLN C C 89 175.838 175.838 174.739 1.099 19642 4591 1 9 . 1 1 89 89 GLN CA C 89 55.286 55.286 54.692 0.594 19642 4592 1 9 . 1 1 89 89 GLN CB C 89 29.333 29.333 29.314 0.019 19642 4593 1 9 . 1 1 89 89 GLN H H 89 8.348 8.348 8.318 0.030 19642 4594 1 9 . 1 1 90 90 ALA N N 90 124.942 124.942 122.166 2.776 19642 4595 1 9 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.374 -0.171 19642 4596 1 9 . 1 1 90 90 ALA C C 90 178.381 178.381 177.921 0.460 19642 4597 1 9 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.802 0.960 19642 4598 1 9 . 1 1 90 90 ALA CB C 90 19.071 19.071 19.553 -0.482 19642 4599 1 9 . 1 1 90 90 ALA H H 90 8.245 8.245 8.275 -0.030 19642 4600 1 9 . 1 1 91 91 GLU N N 91 119.604 119.604 119.414 0.190 19642 4601 1 9 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.304 -0.151 19642 4602 1 9 . 1 1 91 91 GLU C C 91 176.986 176.986 175.767 1.219 19642 4603 1 9 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.232 0.303 19642 4604 1 9 . 1 1 91 91 GLU CB C 91 30.029 30.029 30.150 -0.121 19642 4605 1 9 . 1 1 91 91 GLU H H 91 8.414 8.414 8.556 -0.142 19642 4606 1 9 . 1 1 92 92 LYS N N 92 121.284 121.284 119.894 1.390 19642 4607 1 9 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.385 -0.095 19642 4608 1 9 . 1 1 92 92 LYS C C 92 176.699 176.699 176.106 0.593 19642 4609 1 9 . 1 1 92 92 LYS CA C 92 56.042 56.042 56.445 -0.403 19642 4610 1 9 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.020 -0.315 19642 4611 1 9 . 1 1 92 92 LYS H H 92 8.212 8.212 7.718 0.494 19642 4612 1 9 . 1 1 93 93 ASN N N 93 119.221 119.221 118.425 0.796 19642 4613 1 9 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.734 -0.034 19642 4614 1 9 . 1 1 93 93 ASN C C 93 174.424 174.424 174.009 0.415 19642 4615 1 9 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.387 -0.277 19642 4616 1 9 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.594 0.132 19642 4617 1 9 . 1 1 93 93 ASN H H 93 8.370 8.370 8.680 -0.310 19642 4618 1 10 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.270 0.423 19642 4619 1 10 . 1 1 2 2 HIS C C 2 175.244 175.244 174.518 0.726 19642 4620 1 10 . 1 1 2 2 HIS CA C 2 55.849 55.849 55.879 -0.030 19642 4621 1 10 . 1 1 2 2 HIS CB C 2 30.165 30.165 28.645 1.520 19642 4622 1 10 . 1 1 3 3 MET HA H 3 4.464 4.464 4.462 0.002 19642 4623 1 10 . 1 1 3 3 MET C C 3 175.896 175.896 176.419 -0.523 19642 4624 1 10 . 1 1 3 3 MET CA C 3 55.188 55.188 55.552 -0.364 19642 4625 1 10 . 1 1 3 3 MET CB C 3 32.736 32.736 32.987 -0.251 19642 4626 1 10 . 1 1 4 4 ASN N N 4 120.610 120.610 119.194 1.416 19642 4627 1 10 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.547 0.205 19642 4628 1 10 . 1 1 4 4 ASN C C 4 175.033 175.033 173.771 1.262 19642 4629 1 10 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.904 -1.176 19642 4630 1 10 . 1 1 4 4 ASN CB C 4 38.604 38.604 38.698 -0.094 19642 4631 1 10 . 1 1 4 4 ASN H H 4 8.564 8.564 8.532 0.032 19642 4632 1 10 . 1 1 5 5 LEU N N 5 122.314 122.314 120.794 1.520 19642 4633 1 10 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.705 -0.095 19642 4634 1 10 . 1 1 5 5 LEU C C 5 178.178 178.178 175.664 2.514 19642 4635 1 10 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.383 -0.078 19642 4636 1 10 . 1 1 5 5 LEU CB C 5 43.343 43.343 44.380 -1.037 19642 4637 1 10 . 1 1 5 5 LEU H H 5 8.046 8.046 8.444 -0.398 19642 4638 1 10 . 1 1 6 6 THR N N 6 115.483 115.483 113.171 2.312 19642 4639 1 10 . 1 1 6 6 THR HA H 6 4.626 4.626 4.809 -0.183 19642 4640 1 10 . 1 1 6 6 THR CA C 6 60.039 60.039 58.425 1.615 19642 4641 1 10 . 1 1 6 6 THR CB C 6 68.119 68.119 70.115 -1.996 19642 4642 1 10 . 1 1 6 6 THR H H 6 8.948 8.948 8.026 0.922 19642 4643 1 10 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.304 -0.161 19642 4644 1 10 . 1 1 7 7 PRO CA C 7 65.573 65.573 64.692 0.881 19642 4645 1 10 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.761 -0.121 19642 4646 1 10 . 1 1 8 8 GLU N N 8 116.691 116.691 117.466 -0.775 19642 4647 1 10 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.501 -0.390 19642 4648 1 10 . 1 1 8 8 GLU CA C 8 59.572 59.572 57.151 2.421 19642 4649 1 10 . 1 1 8 8 GLU CB C 8 28.889 28.889 30.149 -1.260 19642 4650 1 10 . 1 1 8 8 GLU H H 8 8.753 8.753 7.737 1.016 19642 4651 1 10 . 1 1 9 9 GLU N N 9 121.235 121.235 120.559 0.676 19642 4652 1 10 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.036 0.005 19642 4653 1 10 . 1 1 9 9 GLU C C 9 180.194 180.194 178.703 1.491 19642 4654 1 10 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.236 -0.709 19642 4655 1 10 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.562 1.004 19642 4656 1 10 . 1 1 9 9 GLU H H 9 7.823 7.823 8.100 -0.277 19642 4657 1 10 . 1 1 10 10 ARG N N 10 120.373 120.373 116.326 4.047 19642 4658 1 10 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.123 -0.236 19642 4659 1 10 . 1 1 10 10 ARG C C 10 180.714 180.714 177.261 3.453 19642 4660 1 10 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.921 0.864 19642 4661 1 10 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.236 -0.365 19642 4662 1 10 . 1 1 10 10 ARG H H 10 8.363 8.363 8.286 0.077 19642 4663 1 10 . 1 1 11 11 ASP N N 11 123.103 123.103 118.158 4.945 19642 4664 1 10 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.600 -0.286 19642 4665 1 10 . 1 1 11 11 ASP C C 11 179.081 179.081 177.631 1.450 19642 4666 1 10 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.554 1.129 19642 4667 1 10 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.729 -1.707 19642 4668 1 10 . 1 1 11 11 ASP H H 11 8.709 8.709 7.796 0.913 19642 4669 1 10 . 1 1 12 12 ALA N N 12 119.926 119.926 122.697 -2.771 19642 4670 1 10 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.175 0.068 19642 4671 1 10 . 1 1 12 12 ALA C C 12 177.593 177.593 179.251 -1.658 19642 4672 1 10 . 1 1 12 12 ALA CA C 12 53.808 53.808 54.390 -0.582 19642 4673 1 10 . 1 1 12 12 ALA CB C 12 18.341 18.341 18.547 -0.206 19642 4674 1 10 . 1 1 12 12 ALA H H 12 7.615 7.615 7.979 -0.364 19642 4675 1 10 . 1 1 13 13 ARG N N 13 113.504 113.504 116.163 -2.659 19642 4676 1 10 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.031 0.396 19642 4677 1 10 . 1 1 13 13 ARG C C 13 174.905 174.905 177.032 -2.127 19642 4678 1 10 . 1 1 13 13 ARG CA C 13 55.588 55.588 58.019 -2.431 19642 4679 1 10 . 1 1 13 13 ARG CB C 13 30.789 30.789 30.318 0.471 19642 4680 1 10 . 1 1 13 13 ARG H H 13 7.204 7.204 7.594 -0.390 19642 4681 1 10 . 1 1 14 14 THR N N 14 117.103 117.103 114.552 2.551 19642 4682 1 10 . 1 1 14 14 THR HA H 14 5.589 5.589 4.417 1.172 19642 4683 1 10 . 1 1 14 14 THR C C 14 174.610 174.610 173.882 0.728 19642 4684 1 10 . 1 1 14 14 THR CA C 14 61.993 61.993 64.912 -2.919 19642 4685 1 10 . 1 1 14 14 THR CB C 14 70.185 70.185 69.902 0.283 19642 4686 1 10 . 1 1 14 14 THR H H 14 7.685 7.685 7.529 0.156 19642 4687 1 10 . 1 1 15 15 VAL N N 15 117.127 117.127 120.024 -2.897 19642 4688 1 10 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.552 0.528 19642 4689 1 10 . 1 1 15 15 VAL C C 15 173.786 173.786 174.336 -0.550 19642 4690 1 10 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.599 -2.014 19642 4691 1 10 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.008 0.815 19642 4692 1 10 . 1 1 15 15 VAL H H 15 9.154 9.154 8.883 0.271 19642 4693 1 10 . 1 1 16 16 PHE N N 16 122.697 122.697 129.233 -6.536 19642 4694 1 10 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.850 0.333 19642 4695 1 10 . 1 1 16 16 PHE C C 16 174.520 174.520 175.294 -0.774 19642 4696 1 10 . 1 1 16 16 PHE CA C 16 54.981 54.981 54.870 0.111 19642 4697 1 10 . 1 1 16 16 PHE CB C 16 42.266 42.266 38.457 3.809 19642 4698 1 10 . 1 1 16 16 PHE H H 16 9.359 9.359 8.858 0.501 19642 4699 1 10 . 1 1 17 17 CYS N N 17 122.356 122.356 128.037 -5.681 19642 4700 1 10 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.391 1.176 19642 4701 1 10 . 1 1 17 17 CYS C C 17 173.018 173.018 173.535 -0.517 19642 4702 1 10 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.171 -2.463 19642 4703 1 10 . 1 1 17 17 CYS CB C 17 30.776 30.776 29.041 1.735 19642 4704 1 10 . 1 1 17 17 CYS H H 17 8.931 8.931 9.052 -0.121 19642 4705 1 10 . 1 1 18 18 MET N N 18 117.884 117.884 122.929 -5.045 19642 4706 1 10 . 1 1 18 18 MET HA H 18 4.846 4.846 4.423 0.423 19642 4707 1 10 . 1 1 18 18 MET C C 18 173.706 173.706 174.746 -1.040 19642 4708 1 10 . 1 1 18 18 MET CA C 18 53.623 53.623 54.888 -1.265 19642 4709 1 10 . 1 1 18 18 MET CB C 18 31.772 31.772 32.388 -0.616 19642 4710 1 10 . 1 1 18 18 MET H H 18 8.818 8.818 8.664 0.154 19642 4711 1 10 . 1 1 19 19 GLN N N 19 115.022 115.022 119.084 -4.062 19642 4712 1 10 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.432 -0.734 19642 4713 1 10 . 1 1 19 19 GLN C C 19 173.403 173.403 174.701 -1.298 19642 4714 1 10 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.306 2.703 19642 4715 1 10 . 1 1 19 19 GLN CB C 19 27.922 27.922 30.037 -2.115 19642 4716 1 10 . 1 1 19 19 GLN H H 19 8.463 8.463 8.165 0.298 19642 4717 1 10 . 1 1 20 20 LEU N N 20 116.032 116.032 120.582 -4.550 19642 4718 1 10 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.336 -0.082 19642 4719 1 10 . 1 1 20 20 LEU C C 20 177.827 177.827 176.854 0.973 19642 4720 1 10 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.378 -1.783 19642 4721 1 10 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.687 0.571 19642 4722 1 10 . 1 1 20 20 LEU H H 20 7.685 7.685 7.348 0.337 19642 4723 1 10 . 1 1 21 21 ALA N N 21 125.644 125.644 122.401 3.243 19642 4724 1 10 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.336 -0.191 19642 4725 1 10 . 1 1 21 21 ALA C C 21 178.868 178.868 177.708 1.160 19642 4726 1 10 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.551 0.110 19642 4727 1 10 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.894 -0.540 19642 4728 1 10 . 1 1 21 21 ALA H H 21 9.473 9.473 8.492 0.981 19642 4729 1 10 . 1 1 22 22 ALA N N 22 124.495 124.495 125.459 -0.964 19642 4730 1 10 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.227 -0.118 19642 4731 1 10 . 1 1 22 22 ALA C C 22 179.705 179.705 177.446 2.259 19642 4732 1 10 . 1 1 22 22 ALA CA C 22 54.560 54.560 53.333 1.228 19642 4733 1 10 . 1 1 22 22 ALA CB C 22 18.358 18.358 17.997 0.361 19642 4734 1 10 . 1 1 22 22 ALA H H 22 8.583 8.583 8.749 -0.166 19642 4735 1 10 . 1 1 23 23 ARG N N 23 111.716 111.716 115.915 -4.199 19642 4736 1 10 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.496 -0.128 19642 4737 1 10 . 1 1 23 23 ARG C C 23 176.243 176.243 176.070 0.173 19642 4738 1 10 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.389 -0.253 19642 4739 1 10 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.148 -0.987 19642 4740 1 10 . 1 1 23 23 ARG H H 23 7.905 7.905 7.397 0.508 19642 4741 1 10 . 1 1 24 24 ILE N N 24 121.734 121.734 123.630 -1.896 19642 4742 1 10 . 1 1 24 24 ILE HA H 24 3.892 3.892 3.892 -0.000 19642 4743 1 10 . 1 1 24 24 ILE C C 24 173.297 173.297 175.124 -1.827 19642 4744 1 10 . 1 1 24 24 ILE CA C 24 61.336 61.336 62.110 -0.774 19642 4745 1 10 . 1 1 24 24 ILE CB C 24 38.751 38.751 39.295 -0.544 19642 4746 1 10 . 1 1 24 24 ILE H H 24 7.270 7.270 7.567 -0.297 19642 4747 1 10 . 1 1 25 25 ARG N N 25 125.810 125.810 127.108 -1.298 19642 4748 1 10 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.493 0.462 19642 4749 1 10 . 1 1 25 25 ARG CA C 25 52.417 52.417 54.680 -2.263 19642 4750 1 10 . 1 1 25 25 ARG CB C 25 30.964 30.964 29.971 0.993 19642 4751 1 10 . 1 1 25 25 ARG H H 25 8.994 8.994 8.445 0.549 19642 4752 1 10 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.279 -0.219 19642 4753 1 10 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.555 1.117 19642 4754 1 10 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.104 -0.644 19642 4755 1 10 . 1 1 27 27 ARG N N 27 114.118 114.118 118.279 -4.161 19642 4756 1 10 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.145 0.095 19642 4757 1 10 . 1 1 27 27 ARG C C 27 178.376 178.376 177.709 0.667 19642 4758 1 10 . 1 1 27 27 ARG CA C 27 58.115 58.115 59.136 -1.021 19642 4759 1 10 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.865 -0.324 19642 4760 1 10 . 1 1 27 27 ARG H H 27 8.362 8.362 8.465 -0.103 19642 4761 1 10 . 1 1 28 28 ASP N N 28 116.954 116.954 119.900 -2.946 19642 4762 1 10 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.429 0.032 19642 4763 1 10 . 1 1 28 28 ASP C C 28 180.328 180.328 178.335 1.993 19642 4764 1 10 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.325 0.202 19642 4765 1 10 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.395 1.169 19642 4766 1 10 . 1 1 28 28 ASP H H 28 7.688 7.688 7.697 -0.009 19642 4767 1 10 . 1 1 29 29 LEU N N 29 117.931 117.931 117.616 0.315 19642 4768 1 10 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.182 0.135 19642 4769 1 10 . 1 1 29 29 LEU C C 29 178.541 178.541 178.864 -0.323 19642 4770 1 10 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.303 -0.454 19642 4771 1 10 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.435 0.337 19642 4772 1 10 . 1 1 29 29 LEU H H 29 7.173 7.173 7.505 -0.332 19642 4773 1 10 . 1 1 30 30 GLU N N 30 121.321 121.321 119.057 2.264 19642 4774 1 10 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.324 -0.536 19642 4775 1 10 . 1 1 30 30 GLU C C 30 179.497 179.497 178.369 1.128 19642 4776 1 10 . 1 1 30 30 GLU CA C 30 60.299 60.299 58.750 1.549 19642 4777 1 10 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.937 -0.265 19642 4778 1 10 . 1 1 30 30 GLU H H 30 8.632 8.632 8.092 0.540 19642 4779 1 10 . 1 1 31 31 GLU N N 31 118.162 118.162 120.449 -2.287 19642 4780 1 10 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.054 0.013 19642 4781 1 10 . 1 1 31 31 GLU C C 31 179.635 179.635 178.938 0.697 19642 4782 1 10 . 1 1 31 31 GLU CA C 31 59.357 59.357 59.438 -0.081 19642 4783 1 10 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.346 0.150 19642 4784 1 10 . 1 1 31 31 GLU H H 31 8.405 8.405 8.257 0.148 19642 4785 1 10 . 1 1 32 32 PHE N N 32 120.127 120.127 120.055 0.072 19642 4786 1 10 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.051 0.302 19642 4787 1 10 . 1 1 32 32 PHE C C 32 177.183 177.183 176.976 0.207 19642 4788 1 10 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.428 0.513 19642 4789 1 10 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.477 1.445 19642 4790 1 10 . 1 1 32 32 PHE H H 32 7.767 7.767 7.703 0.064 19642 4791 1 10 . 1 1 33 33 PHE N N 33 112.879 112.879 115.811 -2.932 19642 4792 1 10 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.149 0.102 19642 4793 1 10 . 1 1 33 33 PHE C C 33 177.304 177.304 178.650 -1.346 19642 4794 1 10 . 1 1 33 33 PHE CA C 33 61.179 61.179 59.628 1.551 19642 4795 1 10 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.183 0.397 19642 4796 1 10 . 1 1 33 33 PHE H H 33 8.489 8.489 7.789 0.700 19642 4797 1 10 . 1 1 34 34 SER N N 34 115.870 115.870 115.443 0.427 19642 4798 1 10 . 1 1 34 34 SER HA H 34 5.119 5.119 4.427 0.692 19642 4799 1 10 . 1 1 34 34 SER C C 34 175.464 175.464 176.863 -1.399 19642 4800 1 10 . 1 1 34 34 SER CA C 34 61.268 61.268 61.243 0.025 19642 4801 1 10 . 1 1 34 34 SER CB C 34 62.915 62.915 62.996 -0.081 19642 4802 1 10 . 1 1 34 34 SER H H 34 7.997 7.997 8.406 -0.409 19642 4803 1 10 . 1 1 35 35 THR N N 35 110.934 110.934 114.871 -3.937 19642 4804 1 10 . 1 1 35 35 THR HA H 35 4.147 4.147 4.169 -0.022 19642 4805 1 10 . 1 1 35 35 THR C C 35 176.410 176.410 175.539 0.871 19642 4806 1 10 . 1 1 35 35 THR CA C 35 63.756 63.756 65.157 -1.401 19642 4807 1 10 . 1 1 35 35 THR CB C 35 68.802 68.802 68.929 -0.127 19642 4808 1 10 . 1 1 35 35 THR H H 35 7.188 7.188 7.856 -0.668 19642 4809 1 10 . 1 1 36 36 VAL N N 36 111.644 111.644 114.359 -2.715 19642 4810 1 10 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.655 -0.032 19642 4811 1 10 . 1 1 36 36 VAL C C 36 176.046 176.046 175.395 0.651 19642 4812 1 10 . 1 1 36 36 VAL CA C 36 60.472 60.472 60.752 -0.280 19642 4813 1 10 . 1 1 36 36 VAL CB C 36 32.425 32.425 32.693 -0.268 19642 4814 1 10 . 1 1 36 36 VAL H H 36 7.665 7.665 7.671 -0.006 19642 4815 1 10 . 1 1 37 37 GLY N N 37 109.343 109.343 108.372 0.971 19642 4816 1 10 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.510 -0.241 19642 4817 1 10 . 1 1 37 37 GLY H H 37 7.640 7.640 7.314 0.326 19642 4818 1 10 . 1 1 38 38 LYS N N 38 117.953 117.953 117.033 0.920 19642 4819 1 10 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.622 -0.083 19642 4820 1 10 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.346 0.378 19642 4821 1 10 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.265 -2.390 19642 4822 1 10 . 1 1 38 38 LYS H H 38 8.246 8.246 8.087 0.159 19642 4823 1 10 . 1 1 39 39 VAL N N 39 128.639 128.639 117.532 11.107 19642 4824 1 10 . 1 1 39 39 VAL HA H 39 3.685 3.685 4.120 -0.435 19642 4825 1 10 . 1 1 39 39 VAL CA C 39 62.816 62.816 60.785 2.031 19642 4826 1 10 . 1 1 39 39 VAL CB C 39 32.992 32.992 35.509 -2.517 19642 4827 1 10 . 1 1 39 39 VAL H H 39 9.126 9.126 8.082 1.044 19642 4828 1 10 . 1 1 40 40 ARG N N 40 129.292 129.292 126.126 3.166 19642 4829 1 10 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.312 -0.033 19642 4830 1 10 . 1 1 40 40 ARG C C 40 175.643 175.643 175.631 0.012 19642 4831 1 10 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.053 -0.719 19642 4832 1 10 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.373 0.287 19642 4833 1 10 . 1 1 40 40 ARG H H 40 9.573 9.573 8.944 0.629 19642 4834 1 10 . 1 1 41 41 ASP N N 41 116.255 116.255 115.563 0.692 19642 4835 1 10 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.840 -0.000 19642 4836 1 10 . 1 1 41 41 ASP C C 41 173.674 173.674 173.694 -0.020 19642 4837 1 10 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.693 0.012 19642 4838 1 10 . 1 1 41 41 ASP CB C 41 44.903 44.903 45.786 -0.883 19642 4839 1 10 . 1 1 41 41 ASP H H 41 7.762 7.762 7.763 -0.001 19642 4840 1 10 . 1 1 42 42 VAL N N 42 122.442 122.442 119.760 2.682 19642 4841 1 10 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.375 0.260 19642 4842 1 10 . 1 1 42 42 VAL C C 42 174.714 174.714 175.379 -0.665 19642 4843 1 10 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.887 -0.613 19642 4844 1 10 . 1 1 42 42 VAL CB C 42 34.832 34.832 33.108 1.724 19642 4845 1 10 . 1 1 42 42 VAL H H 42 7.939 7.939 8.476 -0.537 19642 4846 1 10 . 1 1 43 43 ARG N N 43 126.687 126.687 126.797 -0.110 19642 4847 1 10 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.655 0.110 19642 4848 1 10 . 1 1 43 43 ARG C C 43 175.278 175.278 175.542 -0.264 19642 4849 1 10 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.340 0.038 19642 4850 1 10 . 1 1 43 43 ARG CB C 43 32.434 32.434 29.894 2.540 19642 4851 1 10 . 1 1 43 43 ARG H H 43 9.171 9.171 8.340 0.831 19642 4852 1 10 . 1 1 44 44 MET N N 44 123.092 123.092 123.291 -0.199 19642 4853 1 10 . 1 1 44 44 MET HA H 44 4.906 4.906 4.523 0.383 19642 4854 1 10 . 1 1 44 44 MET C C 44 176.360 176.360 175.763 0.597 19642 4855 1 10 . 1 1 44 44 MET CA C 44 53.152 53.152 55.731 -2.579 19642 4856 1 10 . 1 1 44 44 MET CB C 44 32.940 32.940 33.974 -1.034 19642 4857 1 10 . 1 1 44 44 MET H H 44 8.939 8.939 8.589 0.350 19642 4858 1 10 . 1 1 45 45 ILE N N 45 124.146 124.146 129.005 -4.859 19642 4859 1 10 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.319 0.141 19642 4860 1 10 . 1 1 45 45 ILE C C 45 175.961 175.961 174.968 0.993 19642 4861 1 10 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.372 -0.425 19642 4862 1 10 . 1 1 45 45 ILE CB C 45 38.193 38.193 35.749 2.444 19642 4863 1 10 . 1 1 45 45 ILE H H 45 8.319 8.319 8.892 -0.573 19642 4864 1 10 . 1 1 46 46 SER N N 46 121.541 121.541 122.876 -1.335 19642 4865 1 10 . 1 1 46 46 SER HA H 46 4.709 4.709 4.357 0.352 19642 4866 1 10 . 1 1 46 46 SER C C 46 174.061 174.061 174.393 -0.332 19642 4867 1 10 . 1 1 46 46 SER CA C 46 57.381 57.381 59.178 -1.797 19642 4868 1 10 . 1 1 46 46 SER CB C 46 64.273 64.273 62.567 1.706 19642 4869 1 10 . 1 1 46 46 SER H H 46 8.653 8.653 8.098 0.555 19642 4870 1 10 . 1 1 47 47 ASP N N 47 123.132 123.132 122.463 0.669 19642 4871 1 10 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.211 0.447 19642 4872 1 10 . 1 1 47 47 ASP C C 47 177.203 177.203 175.052 2.151 19642 4873 1 10 . 1 1 47 47 ASP CA C 47 53.662 53.662 55.602 -1.940 19642 4874 1 10 . 1 1 47 47 ASP CB C 47 41.920 41.920 41.168 0.752 19642 4875 1 10 . 1 1 47 47 ASP H H 47 8.598 8.598 8.220 0.378 19642 4876 1 10 . 1 1 48 48 ARG N N 48 122.881 122.881 118.363 4.518 19642 4877 1 10 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.382 -0.175 19642 4878 1 10 . 1 1 48 48 ARG C C 48 177.090 177.090 176.497 0.593 19642 4879 1 10 . 1 1 48 48 ARG CA C 48 57.206 57.206 55.763 1.443 19642 4880 1 10 . 1 1 48 48 ARG CB C 48 29.775 29.775 32.580 -2.804 19642 4881 1 10 . 1 1 48 48 ARG H H 48 8.648 8.648 8.283 0.365 19642 4882 1 10 . 1 1 49 49 ASN N N 49 117.245 117.245 119.671 -2.426 19642 4883 1 10 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.494 0.252 19642 4884 1 10 . 1 1 49 49 ASN C C 49 175.822 175.822 174.967 0.855 19642 4885 1 10 . 1 1 49 49 ASN CA C 49 53.592 53.592 55.452 -1.860 19642 4886 1 10 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.121 0.789 19642 4887 1 10 . 1 1 49 49 ASN H H 49 8.502 8.502 8.718 -0.216 19642 4888 1 10 . 1 1 50 50 SER N N 50 114.891 114.891 114.789 0.102 19642 4889 1 10 . 1 1 50 50 SER HA H 50 4.429 4.429 4.610 -0.181 19642 4890 1 10 . 1 1 50 50 SER C C 50 175.339 175.339 173.882 1.457 19642 4891 1 10 . 1 1 50 50 SER CA C 50 58.396 58.396 59.155 -0.759 19642 4892 1 10 . 1 1 50 50 SER CB C 50 63.681 63.681 64.334 -0.653 19642 4893 1 10 . 1 1 50 50 SER H H 50 8.158 8.158 8.085 0.073 19642 4894 1 10 . 1 1 51 51 ARG N N 51 120.957 120.957 115.416 5.541 19642 4895 1 10 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.297 -0.008 19642 4896 1 10 . 1 1 51 51 ARG C C 51 176.845 176.845 175.045 1.800 19642 4897 1 10 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.292 0.380 19642 4898 1 10 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.458 -0.838 19642 4899 1 10 . 1 1 51 51 ARG H H 51 8.451 8.451 8.053 0.398 19642 4900 1 10 . 1 1 52 52 ARG N N 52 119.405 119.405 118.902 0.503 19642 4901 1 10 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.054 0.366 19642 4902 1 10 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.803 -1.038 19642 4903 1 10 . 1 1 52 52 ARG CB C 52 30.875 30.875 28.736 2.139 19642 4904 1 10 . 1 1 52 52 ARG H H 52 8.159 8.159 8.270 -0.111 19642 4905 1 10 . 1 1 53 53 SER N N 53 116.328 116.328 117.083 -0.755 19642 4906 1 10 . 1 1 53 53 SER HA H 53 4.492 4.492 4.356 0.136 19642 4907 1 10 . 1 1 53 53 SER CA C 53 58.142 58.142 59.694 -1.552 19642 4908 1 10 . 1 1 53 53 SER CB C 53 63.447 63.447 63.441 0.006 19642 4909 1 10 . 1 1 53 53 SER H H 53 8.370 8.370 8.488 -0.118 19642 4910 1 10 . 1 1 54 54 LYS N N 54 122.099 122.099 117.774 4.325 19642 4911 1 10 . 1 1 54 54 LYS HA H 54 4.499 4.499 3.949 0.550 19642 4912 1 10 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.943 -2.380 19642 4913 1 10 . 1 1 54 54 LYS CB C 54 33.079 33.079 30.733 2.346 19642 4914 1 10 . 1 1 54 54 LYS H H 54 8.374 8.374 7.446 0.928 19642 4915 1 10 . 1 1 55 55 GLY N N 55 109.513 109.513 105.429 4.084 19642 4916 1 10 . 1 1 55 55 GLY C C 55 172.962 172.962 172.459 0.503 19642 4917 1 10 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.403 1.491 19642 4918 1 10 . 1 1 55 55 GLY H H 55 8.592 8.592 7.984 0.608 19642 4919 1 10 . 1 1 56 56 ILE N N 56 114.180 114.180 117.145 -2.965 19642 4920 1 10 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.395 -0.383 19642 4921 1 10 . 1 1 56 56 ILE C C 56 175.172 175.172 173.494 1.678 19642 4922 1 10 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.330 -0.599 19642 4923 1 10 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.126 1.036 19642 4924 1 10 . 1 1 56 56 ILE H H 56 7.618 7.618 7.720 -0.102 19642 4925 1 10 . 1 1 57 57 ALA N N 57 121.556 121.556 126.892 -5.336 19642 4926 1 10 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.142 -0.022 19642 4927 1 10 . 1 1 57 57 ALA C C 57 175.094 175.094 174.988 0.106 19642 4928 1 10 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.573 -0.874 19642 4929 1 10 . 1 1 57 57 ALA CB C 57 24.170 24.170 23.166 1.004 19642 4930 1 10 . 1 1 57 57 ALA H H 57 8.308 8.308 9.027 -0.719 19642 4931 1 10 . 1 1 58 58 TYR N N 58 118.387 118.387 121.101 -2.714 19642 4932 1 10 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.240 0.241 19642 4933 1 10 . 1 1 58 58 TYR C C 58 175.537 175.537 175.274 0.263 19642 4934 1 10 . 1 1 58 58 TYR CA C 58 56.514 56.514 57.103 -0.589 19642 4935 1 10 . 1 1 58 58 TYR CB C 58 40.607 40.607 39.230 1.377 19642 4936 1 10 . 1 1 58 58 TYR H H 58 8.971 8.971 8.472 0.499 19642 4937 1 10 . 1 1 59 59 VAL N N 59 122.978 122.978 123.441 -0.463 19642 4938 1 10 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.444 -0.068 19642 4939 1 10 . 1 1 59 59 VAL C C 59 172.631 172.631 174.939 -2.308 19642 4940 1 10 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.374 -0.157 19642 4941 1 10 . 1 1 59 59 VAL CB C 59 33.575 33.575 33.221 0.354 19642 4942 1 10 . 1 1 59 59 VAL H H 59 8.828 8.828 8.276 0.552 19642 4943 1 10 . 1 1 60 60 GLU N N 60 128.557 128.557 129.578 -1.021 19642 4944 1 10 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.607 0.244 19642 4945 1 10 . 1 1 60 60 GLU C C 60 176.210 176.210 174.807 1.403 19642 4946 1 10 . 1 1 60 60 GLU CA C 60 53.842 53.842 55.220 -1.378 19642 4947 1 10 . 1 1 60 60 GLU CB C 60 33.103 33.103 32.268 0.835 19642 4948 1 10 . 1 1 60 60 GLU H H 60 8.774 8.774 8.819 -0.045 19642 4949 1 10 . 1 1 61 61 PHE N N 61 126.659 126.659 124.634 2.025 19642 4950 1 10 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.688 0.228 19642 4951 1 10 . 1 1 61 61 PHE C C 61 176.011 176.011 175.882 0.129 19642 4952 1 10 . 1 1 61 61 PHE CA C 61 58.586 58.586 57.519 1.067 19642 4953 1 10 . 1 1 61 61 PHE CB C 61 41.038 41.038 41.858 -0.820 19642 4954 1 10 . 1 1 61 61 PHE H H 61 9.340 9.340 8.836 0.504 19642 4955 1 10 . 1 1 62 62 VAL N N 62 118.280 118.280 120.501 -2.221 19642 4956 1 10 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.904 -0.161 19642 4957 1 10 . 1 1 62 62 VAL C C 62 176.097 176.097 174.837 1.260 19642 4958 1 10 . 1 1 62 62 VAL CA C 62 65.785 65.785 63.753 2.032 19642 4959 1 10 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.016 0.795 19642 4960 1 10 . 1 1 62 62 VAL H H 62 8.184 8.184 7.679 0.505 19642 4961 1 10 . 1 1 63 63 ASP N N 63 118.269 118.269 117.029 1.240 19642 4962 1 10 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.759 0.433 19642 4963 1 10 . 1 1 63 63 ASP C C 63 176.648 176.648 175.690 0.958 19642 4964 1 10 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.873 -0.234 19642 4965 1 10 . 1 1 63 63 ASP CB C 63 44.569 44.569 44.269 0.300 19642 4966 1 10 . 1 1 63 63 ASP H H 63 8.708 8.708 7.576 1.132 19642 4967 1 10 . 1 1 64 64 VAL N N 64 121.961 121.961 118.786 3.175 19642 4968 1 10 . 1 1 64 64 VAL HA H 64 3.811 3.811 4.089 -0.278 19642 4969 1 10 . 1 1 64 64 VAL C C 64 178.439 178.439 177.125 1.314 19642 4970 1 10 . 1 1 64 64 VAL CA C 64 64.819 64.819 63.555 1.264 19642 4971 1 10 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.509 -0.459 19642 4972 1 10 . 1 1 64 64 VAL H H 64 8.609 8.609 8.284 0.325 19642 4973 1 10 . 1 1 65 65 SER N N 65 115.305 115.305 115.968 -0.663 19642 4974 1 10 . 1 1 65 65 SER HA H 65 4.143 4.143 4.197 -0.054 19642 4975 1 10 . 1 1 65 65 SER C C 65 176.285 176.285 175.377 0.908 19642 4976 1 10 . 1 1 65 65 SER CA C 65 60.158 60.158 60.108 0.050 19642 4977 1 10 . 1 1 65 65 SER CB C 65 62.066 62.066 62.839 -0.773 19642 4978 1 10 . 1 1 65 65 SER H H 65 8.492 8.492 8.157 0.335 19642 4979 1 10 . 1 1 66 66 SER N N 66 116.053 116.053 115.843 0.210 19642 4980 1 10 . 1 1 66 66 SER HA H 66 4.024 4.024 4.394 -0.370 19642 4981 1 10 . 1 1 66 66 SER C C 66 174.528 174.528 174.866 -0.338 19642 4982 1 10 . 1 1 66 66 SER CA C 66 60.749 60.749 59.719 1.030 19642 4983 1 10 . 1 1 66 66 SER CB C 66 63.063 63.063 62.863 0.200 19642 4984 1 10 . 1 1 66 66 SER H H 66 7.414 7.414 7.859 -0.445 19642 4985 1 10 . 1 1 67 67 VAL N N 67 119.830 119.830 123.292 -3.462 19642 4986 1 10 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.609 -0.289 19642 4987 1 10 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.114 0.924 19642 4988 1 10 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.386 -0.188 19642 4989 1 10 . 1 1 67 67 VAL H H 67 7.611 7.611 7.259 0.352 19642 4990 1 10 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.252 0.013 19642 4991 1 10 . 1 1 68 68 PRO C C 68 180.457 180.457 178.258 2.199 19642 4992 1 10 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.329 -0.257 19642 4993 1 10 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.326 -0.588 19642 4994 1 10 . 1 1 69 69 LEU N N 69 115.334 115.334 121.181 -5.847 19642 4995 1 10 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.003 0.096 19642 4996 1 10 . 1 1 69 69 LEU C C 69 179.450 179.450 178.556 0.894 19642 4997 1 10 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.382 -0.940 19642 4998 1 10 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.437 -0.315 19642 4999 1 10 . 1 1 69 69 LEU H H 69 6.284 6.284 6.995 -0.711 19642 5000 1 10 . 1 1 70 70 ALA N N 70 122.703 122.703 120.543 2.160 19642 5001 1 10 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.006 0.169 19642 5002 1 10 . 1 1 70 70 ALA C C 70 180.611 180.611 180.258 0.353 19642 5003 1 10 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.894 0.001 19642 5004 1 10 . 1 1 70 70 ALA CB C 70 19.544 19.544 18.175 1.369 19642 5005 1 10 . 1 1 70 70 ALA H H 70 8.342 8.342 7.388 0.954 19642 5006 1 10 . 1 1 71 71 ILE N N 71 118.692 118.692 118.889 -0.197 19642 5007 1 10 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.672 0.593 19642 5008 1 10 . 1 1 71 71 ILE C C 71 179.971 179.971 178.136 1.835 19642 5009 1 10 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.830 0.287 19642 5010 1 10 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.734 0.866 19642 5011 1 10 . 1 1 71 71 ILE H H 71 8.255 8.255 7.497 0.758 19642 5012 1 10 . 1 1 72 72 GLY N N 72 106.417 106.417 104.778 1.639 19642 5013 1 10 . 1 1 72 72 GLY C C 72 174.590 174.590 175.091 -0.501 19642 5014 1 10 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.189 -0.298 19642 5015 1 10 . 1 1 72 72 GLY H H 72 7.635 7.635 7.857 -0.222 19642 5016 1 10 . 1 1 73 73 LEU N N 73 120.383 120.383 119.526 0.857 19642 5017 1 10 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.630 -0.219 19642 5018 1 10 . 1 1 73 73 LEU C C 73 176.338 176.338 178.048 -1.710 19642 5019 1 10 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.169 0.780 19642 5020 1 10 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.072 -1.479 19642 5021 1 10 . 1 1 73 73 LEU H H 73 7.767 7.767 7.428 0.339 19642 5022 1 10 . 1 1 74 74 THR N N 74 115.157 115.157 116.600 -1.443 19642 5023 1 10 . 1 1 74 74 THR HA H 74 4.060 4.060 4.188 -0.128 19642 5024 1 10 . 1 1 74 74 THR C C 74 175.656 175.656 176.172 -0.516 19642 5025 1 10 . 1 1 74 74 THR CA C 74 66.177 66.177 66.421 -0.244 19642 5026 1 10 . 1 1 74 74 THR CB C 74 69.821 69.821 68.688 1.133 19642 5027 1 10 . 1 1 74 74 THR H H 74 7.731 7.731 7.702 0.029 19642 5028 1 10 . 1 1 75 75 GLY N N 75 117.587 117.587 106.417 11.170 19642 5029 1 10 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.197 0.428 19642 5030 1 10 . 1 1 75 75 GLY H H 75 9.519 9.519 8.342 1.177 19642 5031 1 10 . 1 1 76 76 GLN N N 76 120.027 120.027 120.292 -0.265 19642 5032 1 10 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.397 -0.083 19642 5033 1 10 . 1 1 76 76 GLN C C 76 175.015 175.015 174.616 0.399 19642 5034 1 10 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.820 -0.001 19642 5035 1 10 . 1 1 76 76 GLN CB C 76 28.220 28.220 30.082 -1.862 19642 5036 1 10 . 1 1 76 76 GLN H H 76 8.319 8.319 7.954 0.365 19642 5037 1 10 . 1 1 77 77 ARG N N 77 118.759 118.759 115.950 2.809 19642 5038 1 10 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.489 -0.358 19642 5039 1 10 . 1 1 77 77 ARG C C 77 176.209 176.209 175.074 1.135 19642 5040 1 10 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.113 0.978 19642 5041 1 10 . 1 1 77 77 ARG CB C 77 31.364 31.364 32.299 -0.935 19642 5042 1 10 . 1 1 77 77 ARG H H 77 8.544 8.544 8.284 0.260 19642 5043 1 10 . 1 1 78 78 VAL N N 78 123.886 123.886 124.587 -0.701 19642 5044 1 10 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.873 -0.038 19642 5045 1 10 . 1 1 78 78 VAL C C 78 176.570 176.570 175.787 0.783 19642 5046 1 10 . 1 1 78 78 VAL CA C 78 61.470 61.470 62.074 -0.604 19642 5047 1 10 . 1 1 78 78 VAL CB C 78 32.202 32.202 30.506 1.696 19642 5048 1 10 . 1 1 78 78 VAL H H 78 8.015 8.015 8.502 -0.487 19642 5049 1 10 . 1 1 79 79 LEU N N 79 129.331 129.331 128.125 1.206 19642 5050 1 10 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.940 -0.108 19642 5051 1 10 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.333 0.440 19642 5052 1 10 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.963 -0.422 19642 5053 1 10 . 1 1 79 79 LEU H H 79 9.570 9.570 8.438 1.132 19642 5054 1 10 . 1 1 80 80 GLY N N 80 100.301 100.301 102.667 -2.366 19642 5055 1 10 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.750 0.479 19642 5056 1 10 . 1 1 80 80 GLY H H 80 8.316 8.316 8.065 0.251 19642 5057 1 10 . 1 1 81 81 VAL N N 81 122.763 122.763 122.126 0.637 19642 5058 1 10 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.486 0.151 19642 5059 1 10 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.209 1.146 19642 5060 1 10 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.183 3.714 19642 5061 1 10 . 1 1 81 81 VAL H H 81 7.632 7.632 7.698 -0.066 19642 5062 1 10 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.651 -0.319 19642 5063 1 10 . 1 1 82 82 PRO C C 82 175.005 175.005 175.853 -0.848 19642 5064 1 10 . 1 1 82 82 PRO CA C 82 62.503 62.503 61.965 0.538 19642 5065 1 10 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.903 -1.623 19642 5066 1 10 . 1 1 83 83 ILE N N 83 126.022 126.022 116.895 9.127 19642 5067 1 10 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.398 0.228 19642 5068 1 10 . 1 1 83 83 ILE C C 83 175.679 175.679 174.025 1.654 19642 5069 1 10 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.937 2.032 19642 5070 1 10 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.520 -0.607 19642 5071 1 10 . 1 1 83 83 ILE H H 83 8.391 8.391 7.530 0.861 19642 5072 1 10 . 1 1 84 84 ILE N N 84 125.284 125.284 125.836 -0.552 19642 5073 1 10 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.311 0.122 19642 5074 1 10 . 1 1 84 84 ILE C C 84 174.418 174.418 177.511 -3.093 19642 5075 1 10 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.388 1.925 19642 5076 1 10 . 1 1 84 84 ILE CB C 84 39.900 39.900 37.190 2.710 19642 5077 1 10 . 1 1 84 84 ILE H H 84 7.842 7.842 8.658 -0.816 19642 5078 1 10 . 1 1 85 85 VAL N N 85 128.143 128.143 126.947 1.196 19642 5079 1 10 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.660 -0.043 19642 5080 1 10 . 1 1 85 85 VAL CA C 85 64.887 64.887 65.329 -0.442 19642 5081 1 10 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.964 2.105 19642 5082 1 10 . 1 1 85 85 VAL H H 85 8.400 8.400 8.743 -0.343 19642 5083 1 10 . 1 1 86 86 GLN N N 86 122.965 122.965 117.363 5.602 19642 5084 1 10 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.159 0.744 19642 5085 1 10 . 1 1 86 86 GLN C C 86 175.590 175.590 176.277 -0.687 19642 5086 1 10 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.306 3.450 19642 5087 1 10 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.927 5.086 19642 5088 1 10 . 1 1 86 86 GLN H H 86 9.242 9.242 7.948 1.294 19642 5089 1 10 . 1 1 87 87 ALA N N 87 123.174 123.174 120.155 3.019 19642 5090 1 10 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.099 0.257 19642 5091 1 10 . 1 1 87 87 ALA C C 87 178.095 178.095 176.472 1.623 19642 5092 1 10 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.361 0.464 19642 5093 1 10 . 1 1 87 87 ALA CB C 87 18.534 18.534 17.869 0.665 19642 5094 1 10 . 1 1 87 87 ALA H H 87 8.907 8.907 8.145 0.762 19642 5095 1 10 . 1 1 88 88 SER N N 88 114.952 114.952 112.530 2.422 19642 5096 1 10 . 1 1 88 88 SER HA H 88 4.294 4.294 4.282 0.012 19642 5097 1 10 . 1 1 88 88 SER C C 88 175.470 175.470 174.572 0.898 19642 5098 1 10 . 1 1 88 88 SER CA C 88 59.617 59.617 59.818 -0.201 19642 5099 1 10 . 1 1 88 88 SER CB C 88 63.409 63.409 62.518 0.891 19642 5100 1 10 . 1 1 88 88 SER H H 88 8.343 8.343 8.472 -0.129 19642 5101 1 10 . 1 1 89 89 GLN N N 89 121.151 121.151 119.289 1.862 19642 5102 1 10 . 1 1 89 89 GLN HA H 89 4.313 4.313 3.985 0.328 19642 5103 1 10 . 1 1 89 89 GLN C C 89 175.838 175.838 175.286 0.552 19642 5104 1 10 . 1 1 89 89 GLN CA C 89 55.286 55.286 57.555 -2.269 19642 5105 1 10 . 1 1 89 89 GLN CB C 89 29.333 29.333 28.489 0.844 19642 5106 1 10 . 1 1 89 89 GLN H H 89 8.348 8.348 8.574 -0.226 19642 5107 1 10 . 1 1 90 90 ALA N N 90 124.942 124.942 121.693 3.249 19642 5108 1 10 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.466 -0.263 19642 5109 1 10 . 1 1 90 90 ALA C C 90 178.381 178.381 176.643 1.738 19642 5110 1 10 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.990 0.772 19642 5111 1 10 . 1 1 90 90 ALA CB C 90 19.071 19.071 19.660 -0.589 19642 5112 1 10 . 1 1 90 90 ALA H H 90 8.245 8.245 8.426 -0.181 19642 5113 1 10 . 1 1 91 91 GLU N N 91 119.604 119.604 116.979 2.625 19642 5114 1 10 . 1 1 91 91 GLU HA H 91 4.153 4.153 3.994 0.159 19642 5115 1 10 . 1 1 91 91 GLU C C 91 176.986 176.986 175.483 1.503 19642 5116 1 10 . 1 1 91 91 GLU CA C 91 56.535 56.535 57.750 -1.215 19642 5117 1 10 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.391 1.638 19642 5118 1 10 . 1 1 91 91 GLU H H 91 8.414 8.414 8.799 -0.385 19642 5119 1 10 . 1 1 92 92 LYS N N 92 121.284 121.284 119.294 1.990 19642 5120 1 10 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.361 -0.071 19642 5121 1 10 . 1 1 92 92 LYS C C 92 176.699 176.699 176.084 0.615 19642 5122 1 10 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.968 0.074 19642 5123 1 10 . 1 1 92 92 LYS CB C 92 32.705 32.705 32.990 -0.285 19642 5124 1 10 . 1 1 92 92 LYS H H 92 8.212 8.212 8.222 -0.010 19642 5125 1 10 . 1 1 93 93 ASN N N 93 119.221 119.221 119.499 -0.278 19642 5126 1 10 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.535 0.165 19642 5127 1 10 . 1 1 93 93 ASN C C 93 174.424 174.424 174.451 -0.027 19642 5128 1 10 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.657 -0.547 19642 5129 1 10 . 1 1 93 93 ASN CB C 93 38.726 38.726 37.642 1.084 19642 5130 1 10 . 1 1 93 93 ASN H H 93 8.370 8.370 8.338 0.032 19642 5131 1 11 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.117 0.576 19642 5132 1 11 . 1 1 2 2 HIS C C 2 175.244 175.244 174.576 0.668 19642 5133 1 11 . 1 1 2 2 HIS CA C 2 55.849 55.849 55.974 -0.125 19642 5134 1 11 . 1 1 2 2 HIS CB C 2 30.165 30.165 28.121 2.044 19642 5135 1 11 . 1 1 3 3 MET HA H 3 4.464 4.464 4.351 0.113 19642 5136 1 11 . 1 1 3 3 MET C C 3 175.896 175.896 176.078 -0.182 19642 5137 1 11 . 1 1 3 3 MET CA C 3 55.188 55.188 55.843 -0.655 19642 5138 1 11 . 1 1 3 3 MET CB C 3 32.736 32.736 31.362 1.374 19642 5139 1 11 . 1 1 4 4 ASN N N 4 120.610 120.610 117.204 3.406 19642 5140 1 11 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.443 0.309 19642 5141 1 11 . 1 1 4 4 ASN C C 4 175.033 175.033 174.582 0.451 19642 5142 1 11 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.532 -0.804 19642 5143 1 11 . 1 1 4 4 ASN CB C 4 38.604 38.604 36.737 1.867 19642 5144 1 11 . 1 1 4 4 ASN H H 4 8.564 8.564 8.532 0.032 19642 5145 1 11 . 1 1 5 5 LEU N N 5 122.314 122.314 121.548 0.766 19642 5146 1 11 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.168 0.442 19642 5147 1 11 . 1 1 5 5 LEU C C 5 178.178 178.178 178.121 0.057 19642 5148 1 11 . 1 1 5 5 LEU CA C 5 54.305 54.305 55.117 -0.812 19642 5149 1 11 . 1 1 5 5 LEU CB C 5 43.343 43.343 40.915 2.428 19642 5150 1 11 . 1 1 5 5 LEU H H 5 8.046 8.046 8.274 -0.228 19642 5151 1 11 . 1 1 6 6 THR N N 6 115.483 115.483 122.659 -7.176 19642 5152 1 11 . 1 1 6 6 THR HA H 6 4.626 4.626 4.479 0.147 19642 5153 1 11 . 1 1 6 6 THR CA C 6 60.039 60.039 60.407 -0.367 19642 5154 1 11 . 1 1 6 6 THR CB C 6 68.119 68.119 70.353 -2.234 19642 5155 1 11 . 1 1 6 6 THR H H 6 8.948 8.948 8.527 0.421 19642 5156 1 11 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.409 -0.266 19642 5157 1 11 . 1 1 7 7 PRO CA C 7 65.573 65.573 64.711 0.862 19642 5158 1 11 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.948 -0.308 19642 5159 1 11 . 1 1 8 8 GLU N N 8 116.691 116.691 118.946 -2.255 19642 5160 1 11 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.184 -0.073 19642 5161 1 11 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.384 0.188 19642 5162 1 11 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.602 -0.713 19642 5163 1 11 . 1 1 8 8 GLU H H 8 8.753 8.753 8.273 0.480 19642 5164 1 11 . 1 1 9 9 GLU N N 9 121.235 121.235 120.103 1.132 19642 5165 1 11 . 1 1 9 9 GLU HA H 9 4.041 4.041 3.957 0.084 19642 5166 1 11 . 1 1 9 9 GLU C C 9 180.194 180.194 178.577 1.617 19642 5167 1 11 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.377 -0.850 19642 5168 1 11 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.592 0.974 19642 5169 1 11 . 1 1 9 9 GLU H H 9 7.823 7.823 7.706 0.117 19642 5170 1 11 . 1 1 10 10 ARG N N 10 120.373 120.373 117.021 3.352 19642 5171 1 11 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.018 -0.131 19642 5172 1 11 . 1 1 10 10 ARG C C 10 180.714 180.714 178.000 2.714 19642 5173 1 11 . 1 1 10 10 ARG CA C 10 59.785 59.785 59.213 0.572 19642 5174 1 11 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.049 -0.177 19642 5175 1 11 . 1 1 10 10 ARG H H 10 8.363 8.363 7.687 0.676 19642 5176 1 11 . 1 1 11 11 ASP N N 11 123.103 123.103 118.142 4.961 19642 5177 1 11 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.747 -0.433 19642 5178 1 11 . 1 1 11 11 ASP C C 11 179.081 179.081 176.855 2.226 19642 5179 1 11 . 1 1 11 11 ASP CA C 11 57.683 57.683 54.951 2.732 19642 5180 1 11 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.561 -1.539 19642 5181 1 11 . 1 1 11 11 ASP H H 11 8.709 8.709 7.883 0.826 19642 5182 1 11 . 1 1 12 12 ALA N N 12 119.926 119.926 122.039 -2.113 19642 5183 1 11 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.244 -0.001 19642 5184 1 11 . 1 1 12 12 ALA C C 12 177.593 177.593 177.650 -0.057 19642 5185 1 11 . 1 1 12 12 ALA CA C 12 53.808 53.808 54.061 -0.253 19642 5186 1 11 . 1 1 12 12 ALA CB C 12 18.341 18.341 20.059 -1.718 19642 5187 1 11 . 1 1 12 12 ALA H H 12 7.615 7.615 7.972 -0.357 19642 5188 1 11 . 1 1 13 13 ARG N N 13 113.504 113.504 113.335 0.169 19642 5189 1 11 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.037 0.390 19642 5190 1 11 . 1 1 13 13 ARG C C 13 174.905 174.905 175.280 -0.375 19642 5191 1 11 . 1 1 13 13 ARG CA C 13 55.588 55.588 57.647 -2.059 19642 5192 1 11 . 1 1 13 13 ARG CB C 13 30.789 30.789 28.365 2.424 19642 5193 1 11 . 1 1 13 13 ARG H H 13 7.204 7.204 8.278 -1.074 19642 5194 1 11 . 1 1 14 14 THR N N 14 117.103 117.103 112.513 4.590 19642 5195 1 11 . 1 1 14 14 THR HA H 14 5.589 5.589 5.301 0.288 19642 5196 1 11 . 1 1 14 14 THR C C 14 174.610 174.610 175.071 -0.461 19642 5197 1 11 . 1 1 14 14 THR CA C 14 61.993 61.993 61.036 0.957 19642 5198 1 11 . 1 1 14 14 THR CB C 14 70.185 70.185 71.849 -1.664 19642 5199 1 11 . 1 1 14 14 THR H H 14 7.685 7.685 7.691 -0.006 19642 5200 1 11 . 1 1 15 15 VAL N N 15 117.127 117.127 119.196 -2.069 19642 5201 1 11 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.760 0.320 19642 5202 1 11 . 1 1 15 15 VAL C C 15 173.786 173.786 173.830 -0.044 19642 5203 1 11 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.090 -0.506 19642 5204 1 11 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.769 0.054 19642 5205 1 11 . 1 1 15 15 VAL H H 15 9.154 9.154 8.897 0.257 19642 5206 1 11 . 1 1 16 16 PHE N N 16 122.697 122.697 121.198 1.499 19642 5207 1 11 . 1 1 16 16 PHE HA H 16 5.183 5.183 5.009 0.174 19642 5208 1 11 . 1 1 16 16 PHE C C 16 174.520 174.520 173.920 0.600 19642 5209 1 11 . 1 1 16 16 PHE CA C 16 54.981 54.981 56.169 -1.188 19642 5210 1 11 . 1 1 16 16 PHE CB C 16 42.266 42.266 41.631 0.635 19642 5211 1 11 . 1 1 16 16 PHE H H 16 9.359 9.359 8.477 0.882 19642 5212 1 11 . 1 1 17 17 CYS N N 17 122.356 122.356 126.269 -3.913 19642 5213 1 11 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.581 0.986 19642 5214 1 11 . 1 1 17 17 CYS C C 17 173.018 173.018 173.165 -0.147 19642 5215 1 11 . 1 1 17 17 CYS CA C 17 55.708 55.708 57.607 -1.899 19642 5216 1 11 . 1 1 17 17 CYS CB C 17 30.776 30.776 31.010 -0.234 19642 5217 1 11 . 1 1 17 17 CYS H H 17 8.931 8.931 8.939 -0.008 19642 5218 1 11 . 1 1 18 18 MET N N 18 117.884 117.884 123.889 -6.005 19642 5219 1 11 . 1 1 18 18 MET HA H 18 4.846 4.846 4.513 0.333 19642 5220 1 11 . 1 1 18 18 MET C C 18 173.706 173.706 175.154 -1.448 19642 5221 1 11 . 1 1 18 18 MET CA C 18 53.623 53.623 55.866 -2.243 19642 5222 1 11 . 1 1 18 18 MET CB C 18 31.772 31.772 33.487 -1.716 19642 5223 1 11 . 1 1 18 18 MET H H 18 8.818 8.818 8.686 0.132 19642 5224 1 11 . 1 1 19 19 GLN N N 19 115.022 115.022 120.181 -5.159 19642 5225 1 11 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.412 -0.714 19642 5226 1 11 . 1 1 19 19 GLN C C 19 173.403 173.403 173.880 -0.477 19642 5227 1 11 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.493 2.516 19642 5228 1 11 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.551 -1.629 19642 5229 1 11 . 1 1 19 19 GLN H H 19 8.463 8.463 7.762 0.701 19642 5230 1 11 . 1 1 20 20 LEU N N 20 116.032 116.032 121.715 -5.683 19642 5231 1 11 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.160 0.094 19642 5232 1 11 . 1 1 20 20 LEU C C 20 177.827 177.827 177.124 0.703 19642 5233 1 11 . 1 1 20 20 LEU CA C 20 52.595 52.595 55.081 -2.486 19642 5234 1 11 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.538 0.720 19642 5235 1 11 . 1 1 20 20 LEU H H 20 7.685 7.685 7.293 0.392 19642 5236 1 11 . 1 1 21 21 ALA N N 21 125.644 125.644 126.069 -0.425 19642 5237 1 11 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.142 0.003 19642 5238 1 11 . 1 1 21 21 ALA C C 21 178.868 178.868 177.468 1.400 19642 5239 1 11 . 1 1 21 21 ALA CA C 21 51.661 51.661 52.575 -0.914 19642 5240 1 11 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.745 -0.391 19642 5241 1 11 . 1 1 21 21 ALA H H 21 9.473 9.473 8.296 1.177 19642 5242 1 11 . 1 1 22 22 ALA N N 22 124.495 124.495 121.783 2.712 19642 5243 1 11 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.273 -0.164 19642 5244 1 11 . 1 1 22 22 ALA C C 22 179.705 179.705 177.806 1.899 19642 5245 1 11 . 1 1 22 22 ALA CA C 22 54.560 54.560 52.998 1.562 19642 5246 1 11 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.912 -0.554 19642 5247 1 11 . 1 1 22 22 ALA H H 22 8.583 8.583 8.354 0.229 19642 5248 1 11 . 1 1 23 23 ARG N N 23 111.716 111.716 119.382 -7.666 19642 5249 1 11 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.548 -0.180 19642 5250 1 11 . 1 1 23 23 ARG C C 23 176.243 176.243 174.260 1.983 19642 5251 1 11 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.769 -0.633 19642 5252 1 11 . 1 1 23 23 ARG CB C 23 29.161 29.161 29.052 0.109 19642 5253 1 11 . 1 1 23 23 ARG H H 23 7.905 7.905 8.014 -0.109 19642 5254 1 11 . 1 1 24 24 ILE N N 24 121.734 121.734 120.519 1.215 19642 5255 1 11 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.307 -0.415 19642 5256 1 11 . 1 1 24 24 ILE C C 24 173.297 173.297 175.094 -1.797 19642 5257 1 11 . 1 1 24 24 ILE CA C 24 61.336 61.336 60.081 1.255 19642 5258 1 11 . 1 1 24 24 ILE CB C 24 38.751 38.751 40.127 -1.376 19642 5259 1 11 . 1 1 24 24 ILE H H 24 7.270 7.270 8.342 -1.072 19642 5260 1 11 . 1 1 25 25 ARG N N 25 125.810 125.810 125.229 0.581 19642 5261 1 11 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.818 0.137 19642 5262 1 11 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.114 -0.697 19642 5263 1 11 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.821 0.143 19642 5264 1 11 . 1 1 25 25 ARG H H 25 8.994 8.994 8.372 0.622 19642 5265 1 11 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.219 -0.159 19642 5266 1 11 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.627 1.045 19642 5267 1 11 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.258 -0.798 19642 5268 1 11 . 1 1 27 27 ARG N N 27 114.118 114.118 118.363 -4.245 19642 5269 1 11 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.091 0.149 19642 5270 1 11 . 1 1 27 27 ARG C C 27 178.376 178.376 177.767 0.609 19642 5271 1 11 . 1 1 27 27 ARG CA C 27 58.115 58.115 59.420 -1.305 19642 5272 1 11 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.927 -0.386 19642 5273 1 11 . 1 1 27 27 ARG H H 27 8.362 8.362 8.654 -0.292 19642 5274 1 11 . 1 1 28 28 ASP N N 28 116.954 116.954 119.876 -2.922 19642 5275 1 11 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.451 0.010 19642 5276 1 11 . 1 1 28 28 ASP C C 28 180.328 180.328 177.343 2.985 19642 5277 1 11 . 1 1 28 28 ASP CA C 28 57.527 57.527 56.604 0.923 19642 5278 1 11 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.646 0.918 19642 5279 1 11 . 1 1 28 28 ASP H H 28 7.688 7.688 7.721 -0.033 19642 5280 1 11 . 1 1 29 29 LEU N N 29 117.931 117.931 119.135 -1.204 19642 5281 1 11 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.095 0.222 19642 5282 1 11 . 1 1 29 29 LEU C C 29 178.541 178.541 178.325 0.216 19642 5283 1 11 . 1 1 29 29 LEU CA C 29 56.849 56.849 56.364 0.485 19642 5284 1 11 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.567 0.205 19642 5285 1 11 . 1 1 29 29 LEU H H 29 7.173 7.173 7.640 -0.467 19642 5286 1 11 . 1 1 30 30 GLU N N 30 121.321 121.321 120.418 0.903 19642 5287 1 11 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.090 -0.302 19642 5288 1 11 . 1 1 30 30 GLU C C 30 179.497 179.497 178.709 0.788 19642 5289 1 11 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.886 0.413 19642 5290 1 11 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.323 0.349 19642 5291 1 11 . 1 1 30 30 GLU H H 30 8.632 8.632 8.142 0.490 19642 5292 1 11 . 1 1 31 31 GLU N N 31 118.162 118.162 119.113 -0.951 19642 5293 1 11 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.242 -0.175 19642 5294 1 11 . 1 1 31 31 GLU C C 31 179.635 179.635 178.778 0.857 19642 5295 1 11 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.763 0.594 19642 5296 1 11 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.484 0.012 19642 5297 1 11 . 1 1 31 31 GLU H H 31 8.405 8.405 8.586 -0.181 19642 5298 1 11 . 1 1 32 32 PHE N N 32 120.127 120.127 121.787 -1.660 19642 5299 1 11 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.187 0.166 19642 5300 1 11 . 1 1 32 32 PHE C C 32 177.183 177.183 177.536 -0.353 19642 5301 1 11 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.280 0.661 19642 5302 1 11 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.669 1.252 19642 5303 1 11 . 1 1 32 32 PHE H H 32 7.767 7.767 7.280 0.487 19642 5304 1 11 . 1 1 33 33 PHE N N 33 112.879 112.879 117.105 -4.226 19642 5305 1 11 . 1 1 33 33 PHE HA H 33 4.251 4.251 3.965 0.286 19642 5306 1 11 . 1 1 33 33 PHE C C 33 177.304 177.304 178.019 -0.715 19642 5307 1 11 . 1 1 33 33 PHE CA C 33 61.179 61.179 59.326 1.853 19642 5308 1 11 . 1 1 33 33 PHE CB C 33 38.580 38.580 37.897 0.683 19642 5309 1 11 . 1 1 33 33 PHE H H 33 8.489 8.489 7.895 0.594 19642 5310 1 11 . 1 1 34 34 SER N N 34 115.870 115.870 114.507 1.363 19642 5311 1 11 . 1 1 34 34 SER HA H 34 5.119 5.119 4.483 0.636 19642 5312 1 11 . 1 1 34 34 SER C C 34 175.464 175.464 176.806 -1.342 19642 5313 1 11 . 1 1 34 34 SER CA C 34 61.268 61.268 60.629 0.639 19642 5314 1 11 . 1 1 34 34 SER CB C 34 62.915 62.915 62.234 0.681 19642 5315 1 11 . 1 1 34 34 SER H H 34 7.997 7.997 8.392 -0.395 19642 5316 1 11 . 1 1 35 35 THR N N 35 110.934 110.934 118.028 -7.094 19642 5317 1 11 . 1 1 35 35 THR HA H 35 4.147 4.147 4.154 -0.007 19642 5318 1 11 . 1 1 35 35 THR C C 35 176.410 176.410 175.052 1.358 19642 5319 1 11 . 1 1 35 35 THR CA C 35 63.756 63.756 64.945 -1.189 19642 5320 1 11 . 1 1 35 35 THR CB C 35 68.802 68.802 69.067 -0.265 19642 5321 1 11 . 1 1 35 35 THR H H 35 7.188 7.188 7.976 -0.788 19642 5322 1 11 . 1 1 36 36 VAL N N 36 111.644 111.644 114.283 -2.639 19642 5323 1 11 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.741 -0.118 19642 5324 1 11 . 1 1 36 36 VAL C C 36 176.046 176.046 174.358 1.688 19642 5325 1 11 . 1 1 36 36 VAL CA C 36 60.472 60.472 60.391 0.081 19642 5326 1 11 . 1 1 36 36 VAL CB C 36 32.425 32.425 32.194 0.230 19642 5327 1 11 . 1 1 36 36 VAL H H 36 7.665 7.665 7.640 0.025 19642 5328 1 11 . 1 1 37 37 GLY N N 37 109.343 109.343 110.504 -1.161 19642 5329 1 11 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.694 -0.425 19642 5330 1 11 . 1 1 37 37 GLY H H 37 7.640 7.640 7.621 0.019 19642 5331 1 11 . 1 1 38 38 LYS N N 38 117.953 117.953 118.565 -0.612 19642 5332 1 11 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.459 0.080 19642 5333 1 11 . 1 1 38 38 LYS CA C 38 55.724 55.724 54.768 0.956 19642 5334 1 11 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.318 -2.443 19642 5335 1 11 . 1 1 38 38 LYS H H 38 8.246 8.246 7.455 0.791 19642 5336 1 11 . 1 1 39 39 VAL N N 39 128.639 128.639 119.960 8.679 19642 5337 1 11 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.788 -0.103 19642 5338 1 11 . 1 1 39 39 VAL CA C 39 62.816 62.816 61.825 0.991 19642 5339 1 11 . 1 1 39 39 VAL CB C 39 32.992 32.992 33.539 -0.547 19642 5340 1 11 . 1 1 39 39 VAL H H 39 9.126 9.126 8.256 0.870 19642 5341 1 11 . 1 1 40 40 ARG N N 40 129.292 129.292 122.736 6.556 19642 5342 1 11 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.537 -0.258 19642 5343 1 11 . 1 1 40 40 ARG C C 40 175.643 175.643 175.546 0.097 19642 5344 1 11 . 1 1 40 40 ARG CA C 40 56.334 56.334 56.195 0.139 19642 5345 1 11 . 1 1 40 40 ARG CB C 40 31.660 31.660 32.952 -1.292 19642 5346 1 11 . 1 1 40 40 ARG H H 40 9.573 9.573 8.929 0.644 19642 5347 1 11 . 1 1 41 41 ASP N N 41 116.255 116.255 116.597 -0.342 19642 5348 1 11 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.811 0.029 19642 5349 1 11 . 1 1 41 41 ASP C C 41 173.674 173.674 173.741 -0.067 19642 5350 1 11 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.317 0.388 19642 5351 1 11 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.512 0.391 19642 5352 1 11 . 1 1 41 41 ASP H H 41 7.762 7.762 8.119 -0.357 19642 5353 1 11 . 1 1 42 42 VAL N N 42 122.442 122.442 119.269 3.173 19642 5354 1 11 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.351 0.284 19642 5355 1 11 . 1 1 42 42 VAL C C 42 174.714 174.714 175.146 -0.432 19642 5356 1 11 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.120 0.154 19642 5357 1 11 . 1 1 42 42 VAL CB C 42 34.832 34.832 34.652 0.180 19642 5358 1 11 . 1 1 42 42 VAL H H 42 7.939 7.939 8.412 -0.473 19642 5359 1 11 . 1 1 43 43 ARG N N 43 126.687 126.687 128.052 -1.365 19642 5360 1 11 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.623 0.142 19642 5361 1 11 . 1 1 43 43 ARG C C 43 175.278 175.278 174.626 0.652 19642 5362 1 11 . 1 1 43 43 ARG CA C 43 54.378 54.378 55.103 -0.725 19642 5363 1 11 . 1 1 43 43 ARG CB C 43 32.434 32.434 32.675 -0.241 19642 5364 1 11 . 1 1 43 43 ARG H H 43 9.171 9.171 8.791 0.380 19642 5365 1 11 . 1 1 44 44 MET N N 44 123.092 123.092 113.752 9.340 19642 5366 1 11 . 1 1 44 44 MET HA H 44 4.906 4.906 4.996 -0.090 19642 5367 1 11 . 1 1 44 44 MET C C 44 176.360 176.360 174.844 1.516 19642 5368 1 11 . 1 1 44 44 MET CA C 44 53.152 53.152 55.019 -1.867 19642 5369 1 11 . 1 1 44 44 MET CB C 44 32.940 32.940 35.712 -2.772 19642 5370 1 11 . 1 1 44 44 MET H H 44 8.939 8.939 7.986 0.953 19642 5371 1 11 . 1 1 45 45 ILE N N 45 124.146 124.146 121.497 2.649 19642 5372 1 11 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.560 -0.100 19642 5373 1 11 . 1 1 45 45 ILE C C 45 175.961 175.961 176.032 -0.071 19642 5374 1 11 . 1 1 45 45 ILE CA C 45 59.947 59.947 61.157 -1.210 19642 5375 1 11 . 1 1 45 45 ILE CB C 45 38.193 38.193 38.655 -0.462 19642 5376 1 11 . 1 1 45 45 ILE H H 45 8.319 8.319 8.904 -0.585 19642 5377 1 11 . 1 1 46 46 SER N N 46 121.541 121.541 125.542 -4.001 19642 5378 1 11 . 1 1 46 46 SER HA H 46 4.709 4.709 4.471 0.238 19642 5379 1 11 . 1 1 46 46 SER C C 46 174.061 174.061 174.156 -0.095 19642 5380 1 11 . 1 1 46 46 SER CA C 46 57.381 57.381 57.949 -0.568 19642 5381 1 11 . 1 1 46 46 SER CB C 46 64.273 64.273 62.258 2.015 19642 5382 1 11 . 1 1 46 46 SER H H 46 8.653 8.653 8.921 -0.268 19642 5383 1 11 . 1 1 47 47 ASP N N 47 123.132 123.132 121.901 1.231 19642 5384 1 11 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.311 0.347 19642 5385 1 11 . 1 1 47 47 ASP C C 47 177.203 177.203 175.336 1.867 19642 5386 1 11 . 1 1 47 47 ASP CA C 47 53.662 53.662 56.066 -2.405 19642 5387 1 11 . 1 1 47 47 ASP CB C 47 41.920 41.920 41.402 0.518 19642 5388 1 11 . 1 1 47 47 ASP H H 47 8.598 8.598 8.375 0.223 19642 5389 1 11 . 1 1 48 48 ARG N N 48 122.881 122.881 118.681 4.200 19642 5390 1 11 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.414 -0.207 19642 5391 1 11 . 1 1 48 48 ARG C C 48 177.090 177.090 175.719 1.371 19642 5392 1 11 . 1 1 48 48 ARG CA C 48 57.206 57.206 56.906 0.301 19642 5393 1 11 . 1 1 48 48 ARG CB C 48 29.775 29.775 32.203 -2.428 19642 5394 1 11 . 1 1 48 48 ARG H H 48 8.648 8.648 8.473 0.175 19642 5395 1 11 . 1 1 49 49 ASN N N 49 117.245 117.245 114.410 2.835 19642 5396 1 11 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.884 -0.138 19642 5397 1 11 . 1 1 49 49 ASN C C 49 175.822 175.822 175.247 0.575 19642 5398 1 11 . 1 1 49 49 ASN CA C 49 53.592 53.592 53.419 0.173 19642 5399 1 11 . 1 1 49 49 ASN CB C 49 38.910 38.910 41.199 -2.289 19642 5400 1 11 . 1 1 49 49 ASN H H 49 8.502 8.502 8.342 0.160 19642 5401 1 11 . 1 1 50 50 SER N N 50 114.891 114.891 116.895 -2.004 19642 5402 1 11 . 1 1 50 50 SER HA H 50 4.429 4.429 4.722 -0.293 19642 5403 1 11 . 1 1 50 50 SER C C 50 175.339 175.339 172.784 2.555 19642 5404 1 11 . 1 1 50 50 SER CA C 50 58.396 58.396 57.464 0.932 19642 5405 1 11 . 1 1 50 50 SER CB C 50 63.681 63.681 65.359 -1.679 19642 5406 1 11 . 1 1 50 50 SER H H 50 8.158 8.158 8.453 -0.295 19642 5407 1 11 . 1 1 51 51 ARG N N 51 120.957 120.957 121.581 -0.624 19642 5408 1 11 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.569 -0.280 19642 5409 1 11 . 1 1 51 51 ARG C C 51 176.845 176.845 175.241 1.604 19642 5410 1 11 . 1 1 51 51 ARG CA C 51 56.672 56.672 55.878 0.794 19642 5411 1 11 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.646 -1.026 19642 5412 1 11 . 1 1 51 51 ARG H H 51 8.451 8.451 8.641 -0.190 19642 5413 1 11 . 1 1 52 52 ARG N N 52 119.405 119.405 123.888 -4.483 19642 5414 1 11 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.552 -0.132 19642 5415 1 11 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.215 -0.450 19642 5416 1 11 . 1 1 52 52 ARG CB C 52 30.875 30.875 31.720 -0.845 19642 5417 1 11 . 1 1 52 52 ARG H H 52 8.159 8.159 9.260 -1.101 19642 5418 1 11 . 1 1 53 53 SER N N 53 116.328 116.328 114.777 1.551 19642 5419 1 11 . 1 1 53 53 SER HA H 53 4.492 4.492 4.121 0.371 19642 5420 1 11 . 1 1 53 53 SER CA C 53 58.142 58.142 59.004 -0.862 19642 5421 1 11 . 1 1 53 53 SER CB C 53 63.447 63.447 61.917 1.530 19642 5422 1 11 . 1 1 53 53 SER H H 53 8.370 8.370 8.813 -0.443 19642 5423 1 11 . 1 1 54 54 LYS N N 54 122.099 122.099 121.249 0.850 19642 5424 1 11 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.182 0.317 19642 5425 1 11 . 1 1 54 54 LYS CA C 54 55.563 55.563 56.232 -0.669 19642 5426 1 11 . 1 1 54 54 LYS CB C 54 33.079 33.079 30.732 2.348 19642 5427 1 11 . 1 1 54 54 LYS H H 54 8.374 8.374 8.423 -0.049 19642 5428 1 11 . 1 1 55 55 GLY N N 55 109.513 109.513 108.581 0.932 19642 5429 1 11 . 1 1 55 55 GLY C C 55 172.962 172.962 173.164 -0.202 19642 5430 1 11 . 1 1 55 55 GLY CA C 55 45.894 45.894 45.014 0.880 19642 5431 1 11 . 1 1 55 55 GLY H H 55 8.592 8.592 8.299 0.293 19642 5432 1 11 . 1 1 56 56 ILE N N 56 114.180 114.180 116.120 -1.940 19642 5433 1 11 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.470 -0.458 19642 5434 1 11 . 1 1 56 56 ILE C C 56 175.172 175.172 173.807 1.365 19642 5435 1 11 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.675 0.056 19642 5436 1 11 . 1 1 56 56 ILE CB C 56 42.162 42.162 40.574 1.588 19642 5437 1 11 . 1 1 56 56 ILE H H 56 7.618 7.618 7.764 -0.146 19642 5438 1 11 . 1 1 57 57 ALA N N 57 121.556 121.556 128.198 -6.642 19642 5439 1 11 . 1 1 57 57 ALA HA H 57 5.120 5.120 4.995 0.125 19642 5440 1 11 . 1 1 57 57 ALA C C 57 175.094 175.094 174.550 0.544 19642 5441 1 11 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.115 -0.416 19642 5442 1 11 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.761 1.409 19642 5443 1 11 . 1 1 57 57 ALA H H 57 8.308 8.308 8.707 -0.399 19642 5444 1 11 . 1 1 58 58 TYR N N 58 118.387 118.387 118.685 -0.298 19642 5445 1 11 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.622 -0.141 19642 5446 1 11 . 1 1 58 58 TYR C C 58 175.537 175.537 175.572 -0.035 19642 5447 1 11 . 1 1 58 58 TYR CA C 58 56.514 56.514 57.016 -0.502 19642 5448 1 11 . 1 1 58 58 TYR CB C 58 40.607 40.607 41.720 -1.113 19642 5449 1 11 . 1 1 58 58 TYR H H 58 8.971 8.971 8.766 0.205 19642 5450 1 11 . 1 1 59 59 VAL N N 59 122.978 122.978 119.950 3.028 19642 5451 1 11 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.565 -0.189 19642 5452 1 11 . 1 1 59 59 VAL C C 59 172.631 172.631 174.938 -2.307 19642 5453 1 11 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.864 -0.647 19642 5454 1 11 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.621 -1.046 19642 5455 1 11 . 1 1 59 59 VAL H H 59 8.828 8.828 8.553 0.275 19642 5456 1 11 . 1 1 60 60 GLU N N 60 128.557 128.557 127.327 1.230 19642 5457 1 11 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.649 0.202 19642 5458 1 11 . 1 1 60 60 GLU C C 60 176.210 176.210 175.701 0.509 19642 5459 1 11 . 1 1 60 60 GLU CA C 60 53.842 53.842 56.392 -2.550 19642 5460 1 11 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.761 2.342 19642 5461 1 11 . 1 1 60 60 GLU H H 60 8.774 8.774 8.671 0.103 19642 5462 1 11 . 1 1 61 61 PHE N N 61 126.659 126.659 124.588 2.071 19642 5463 1 11 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.512 0.404 19642 5464 1 11 . 1 1 61 61 PHE C C 61 176.011 176.011 175.422 0.589 19642 5465 1 11 . 1 1 61 61 PHE CA C 61 58.586 58.586 58.100 0.486 19642 5466 1 11 . 1 1 61 61 PHE CB C 61 41.038 41.038 41.861 -0.823 19642 5467 1 11 . 1 1 61 61 PHE H H 61 9.340 9.340 8.202 1.138 19642 5468 1 11 . 1 1 62 62 VAL N N 62 118.280 118.280 115.191 3.089 19642 5469 1 11 . 1 1 62 62 VAL HA H 62 3.743 3.743 4.009 -0.266 19642 5470 1 11 . 1 1 62 62 VAL C C 62 176.097 176.097 174.817 1.280 19642 5471 1 11 . 1 1 62 62 VAL CA C 62 65.785 65.785 63.068 2.717 19642 5472 1 11 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.424 0.387 19642 5473 1 11 . 1 1 62 62 VAL H H 62 8.184 8.184 7.449 0.735 19642 5474 1 11 . 1 1 63 63 ASP N N 63 118.269 118.269 115.629 2.640 19642 5475 1 11 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.831 0.361 19642 5476 1 11 . 1 1 63 63 ASP C C 63 176.648 176.648 175.874 0.774 19642 5477 1 11 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.593 0.046 19642 5478 1 11 . 1 1 63 63 ASP CB C 63 44.569 44.569 44.283 0.286 19642 5479 1 11 . 1 1 63 63 ASP H H 63 8.708 8.708 7.684 1.024 19642 5480 1 11 . 1 1 64 64 VAL N N 64 121.961 121.961 118.933 3.028 19642 5481 1 11 . 1 1 64 64 VAL HA H 64 3.811 3.811 4.236 -0.425 19642 5482 1 11 . 1 1 64 64 VAL C C 64 178.439 178.439 176.703 1.736 19642 5483 1 11 . 1 1 64 64 VAL CA C 64 64.819 64.819 63.748 1.071 19642 5484 1 11 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.561 -0.511 19642 5485 1 11 . 1 1 64 64 VAL H H 64 8.609 8.609 8.442 0.167 19642 5486 1 11 . 1 1 65 65 SER N N 65 115.305 115.305 116.892 -1.587 19642 5487 1 11 . 1 1 65 65 SER HA H 65 4.143 4.143 4.257 -0.114 19642 5488 1 11 . 1 1 65 65 SER C C 65 176.285 176.285 175.211 1.074 19642 5489 1 11 . 1 1 65 65 SER CA C 65 60.158 60.158 61.102 -0.944 19642 5490 1 11 . 1 1 65 65 SER CB C 65 62.066 62.066 63.086 -1.020 19642 5491 1 11 . 1 1 65 65 SER H H 65 8.492 8.492 8.672 -0.180 19642 5492 1 11 . 1 1 66 66 SER N N 66 116.053 116.053 115.039 1.014 19642 5493 1 11 . 1 1 66 66 SER HA H 66 4.024 4.024 4.412 -0.388 19642 5494 1 11 . 1 1 66 66 SER C C 66 174.528 174.528 175.060 -0.532 19642 5495 1 11 . 1 1 66 66 SER CA C 66 60.749 60.749 58.726 2.023 19642 5496 1 11 . 1 1 66 66 SER CB C 66 63.063 63.063 63.000 0.063 19642 5497 1 11 . 1 1 66 66 SER H H 66 7.414 7.414 7.917 -0.503 19642 5498 1 11 . 1 1 67 67 VAL N N 67 119.830 119.830 122.859 -3.029 19642 5499 1 11 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.570 -0.250 19642 5500 1 11 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.139 0.899 19642 5501 1 11 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.661 -0.463 19642 5502 1 11 . 1 1 67 67 VAL H H 67 7.611 7.611 7.847 -0.236 19642 5503 1 11 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.268 -0.003 19642 5504 1 11 . 1 1 68 68 PRO C C 68 180.457 180.457 177.642 2.815 19642 5505 1 11 . 1 1 68 68 PRO CA C 68 65.072 65.072 64.420 0.652 19642 5506 1 11 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.312 -0.574 19642 5507 1 11 . 1 1 69 69 LEU N N 69 115.334 115.334 120.416 -5.082 19642 5508 1 11 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.031 0.068 19642 5509 1 11 . 1 1 69 69 LEU C C 69 179.450 179.450 178.332 1.118 19642 5510 1 11 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.091 -0.649 19642 5511 1 11 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.727 -0.605 19642 5512 1 11 . 1 1 69 69 LEU H H 69 6.284 6.284 7.611 -1.327 19642 5513 1 11 . 1 1 70 70 ALA N N 70 122.703 122.703 121.323 1.380 19642 5514 1 11 . 1 1 70 70 ALA HA H 70 4.175 4.175 3.969 0.206 19642 5515 1 11 . 1 1 70 70 ALA C C 70 180.611 180.611 180.126 0.485 19642 5516 1 11 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.817 0.078 19642 5517 1 11 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.698 1.846 19642 5518 1 11 . 1 1 70 70 ALA H H 70 8.342 8.342 7.413 0.929 19642 5519 1 11 . 1 1 71 71 ILE N N 71 118.692 118.692 118.311 0.381 19642 5520 1 11 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.715 0.550 19642 5521 1 11 . 1 1 71 71 ILE C C 71 179.971 179.971 178.020 1.951 19642 5522 1 11 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.461 0.656 19642 5523 1 11 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.516 1.084 19642 5524 1 11 . 1 1 71 71 ILE H H 71 8.255 8.255 7.763 0.492 19642 5525 1 11 . 1 1 72 72 GLY N N 72 106.417 106.417 105.503 0.914 19642 5526 1 11 . 1 1 72 72 GLY C C 72 174.590 174.590 175.054 -0.464 19642 5527 1 11 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.162 -0.271 19642 5528 1 11 . 1 1 72 72 GLY H H 72 7.635 7.635 7.929 -0.294 19642 5529 1 11 . 1 1 73 73 LEU N N 73 120.383 120.383 119.389 0.994 19642 5530 1 11 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.676 -0.265 19642 5531 1 11 . 1 1 73 73 LEU C C 73 176.338 176.338 177.908 -1.570 19642 5532 1 11 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.090 0.860 19642 5533 1 11 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.160 -1.567 19642 5534 1 11 . 1 1 73 73 LEU H H 73 7.767 7.767 7.398 0.369 19642 5535 1 11 . 1 1 74 74 THR N N 74 115.157 115.157 116.515 -1.358 19642 5536 1 11 . 1 1 74 74 THR HA H 74 4.060 4.060 4.252 -0.192 19642 5537 1 11 . 1 1 74 74 THR C C 74 175.656 175.656 175.777 -0.121 19642 5538 1 11 . 1 1 74 74 THR CA C 74 66.177 66.177 65.314 0.863 19642 5539 1 11 . 1 1 74 74 THR CB C 74 69.821 69.821 68.906 0.915 19642 5540 1 11 . 1 1 74 74 THR H H 74 7.731 7.731 7.586 0.145 19642 5541 1 11 . 1 1 75 75 GLY N N 75 117.587 117.587 107.353 10.234 19642 5542 1 11 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.361 0.264 19642 5543 1 11 . 1 1 75 75 GLY H H 75 9.519 9.519 8.203 1.316 19642 5544 1 11 . 1 1 76 76 GLN N N 76 120.027 120.027 120.074 -0.047 19642 5545 1 11 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.417 -0.103 19642 5546 1 11 . 1 1 76 76 GLN C C 76 175.015 175.015 174.692 0.323 19642 5547 1 11 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.438 0.381 19642 5548 1 11 . 1 1 76 76 GLN CB C 76 28.220 28.220 30.306 -2.086 19642 5549 1 11 . 1 1 76 76 GLN H H 76 8.319 8.319 7.854 0.465 19642 5550 1 11 . 1 1 77 77 ARG N N 77 118.759 118.759 115.539 3.220 19642 5551 1 11 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.537 -0.406 19642 5552 1 11 . 1 1 77 77 ARG C C 77 176.209 176.209 175.116 1.093 19642 5553 1 11 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.557 0.534 19642 5554 1 11 . 1 1 77 77 ARG CB C 77 31.364 31.364 30.147 1.217 19642 5555 1 11 . 1 1 77 77 ARG H H 77 8.544 8.544 8.447 0.097 19642 5556 1 11 . 1 1 78 78 VAL N N 78 123.886 123.886 126.780 -2.894 19642 5557 1 11 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.818 0.017 19642 5558 1 11 . 1 1 78 78 VAL C C 78 176.570 176.570 176.502 0.068 19642 5559 1 11 . 1 1 78 78 VAL CA C 78 61.470 61.470 63.053 -1.583 19642 5560 1 11 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.346 0.856 19642 5561 1 11 . 1 1 78 78 VAL H H 78 8.015 8.015 7.859 0.156 19642 5562 1 11 . 1 1 79 79 LEU N N 79 129.331 129.331 129.235 0.096 19642 5563 1 11 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.901 -0.069 19642 5564 1 11 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.515 0.258 19642 5565 1 11 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.308 0.233 19642 5566 1 11 . 1 1 79 79 LEU H H 79 9.570 9.570 8.938 0.632 19642 5567 1 11 . 1 1 80 80 GLY N N 80 100.301 100.301 104.475 -4.174 19642 5568 1 11 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.562 0.667 19642 5569 1 11 . 1 1 80 80 GLY H H 80 8.316 8.316 7.764 0.552 19642 5570 1 11 . 1 1 81 81 VAL N N 81 122.763 122.763 122.571 0.192 19642 5571 1 11 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.493 0.144 19642 5572 1 11 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.557 0.798 19642 5573 1 11 . 1 1 81 81 VAL CB C 81 34.897 34.897 33.558 1.339 19642 5574 1 11 . 1 1 81 81 VAL H H 81 7.632 7.632 7.523 0.109 19642 5575 1 11 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.541 -0.209 19642 5576 1 11 . 1 1 82 82 PRO C C 82 175.005 175.005 175.503 -0.498 19642 5577 1 11 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.408 0.095 19642 5578 1 11 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.582 -1.302 19642 5579 1 11 . 1 1 83 83 ILE N N 83 126.022 126.022 118.125 7.897 19642 5580 1 11 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.386 0.240 19642 5581 1 11 . 1 1 83 83 ILE C C 83 175.679 175.679 174.359 1.320 19642 5582 1 11 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.809 2.160 19642 5583 1 11 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.201 -0.288 19642 5584 1 11 . 1 1 83 83 ILE H H 83 8.391 8.391 8.200 0.191 19642 5585 1 11 . 1 1 84 84 ILE N N 84 125.284 125.284 123.853 1.431 19642 5586 1 11 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.414 0.019 19642 5587 1 11 . 1 1 84 84 ILE C C 84 174.418 174.418 177.384 -2.966 19642 5588 1 11 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.148 2.166 19642 5589 1 11 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.176 1.724 19642 5590 1 11 . 1 1 84 84 ILE H H 84 7.842 7.842 8.594 -0.752 19642 5591 1 11 . 1 1 85 85 VAL N N 85 128.143 128.143 123.086 5.057 19642 5592 1 11 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.759 -0.142 19642 5593 1 11 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.466 0.421 19642 5594 1 11 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.665 2.404 19642 5595 1 11 . 1 1 85 85 VAL H H 85 8.400 8.400 8.414 -0.014 19642 5596 1 11 . 1 1 86 86 GLN N N 86 122.965 122.965 119.944 3.021 19642 5597 1 11 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.055 0.848 19642 5598 1 11 . 1 1 86 86 GLN C C 86 175.590 175.590 176.679 -1.089 19642 5599 1 11 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.297 3.459 19642 5600 1 11 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.698 5.315 19642 5601 1 11 . 1 1 86 86 GLN H H 86 9.242 9.242 8.121 1.121 19642 5602 1 11 . 1 1 87 87 ALA N N 87 123.174 123.174 119.544 3.630 19642 5603 1 11 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.049 0.307 19642 5604 1 11 . 1 1 87 87 ALA C C 87 178.095 178.095 176.219 1.876 19642 5605 1 11 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.988 -0.163 19642 5606 1 11 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.498 0.035 19642 5607 1 11 . 1 1 87 87 ALA H H 87 8.907 8.907 8.027 0.880 19642 5608 1 11 . 1 1 88 88 SER N N 88 114.952 114.952 118.125 -3.173 19642 5609 1 11 . 1 1 88 88 SER HA H 88 4.294 4.294 4.801 -0.507 19642 5610 1 11 . 1 1 88 88 SER C C 88 175.470 175.470 174.742 0.728 19642 5611 1 11 . 1 1 88 88 SER CA C 88 59.617 59.617 58.257 1.360 19642 5612 1 11 . 1 1 88 88 SER CB C 88 63.409 63.409 65.537 -2.128 19642 5613 1 11 . 1 1 88 88 SER H H 88 8.343 8.343 8.418 -0.075 19642 5614 1 11 . 1 1 89 89 GLN N N 89 121.151 121.151 121.990 -0.839 19642 5615 1 11 . 1 1 89 89 GLN HA H 89 4.313 4.313 3.961 0.352 19642 5616 1 11 . 1 1 89 89 GLN C C 89 175.838 175.838 175.529 0.309 19642 5617 1 11 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.870 -1.584 19642 5618 1 11 . 1 1 89 89 GLN CB C 89 29.333 29.333 28.213 1.120 19642 5619 1 11 . 1 1 89 89 GLN H H 89 8.348 8.348 8.633 -0.285 19642 5620 1 11 . 1 1 90 90 ALA N N 90 124.942 124.942 122.738 2.204 19642 5621 1 11 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.069 0.134 19642 5622 1 11 . 1 1 90 90 ALA C C 90 178.381 178.381 176.664 1.717 19642 5623 1 11 . 1 1 90 90 ALA CA C 90 52.762 52.762 53.044 -0.282 19642 5624 1 11 . 1 1 90 90 ALA CB C 90 19.071 19.071 18.932 0.139 19642 5625 1 11 . 1 1 90 90 ALA H H 90 8.245 8.245 8.240 0.005 19642 5626 1 11 . 1 1 91 91 GLU N N 91 119.604 119.604 120.295 -0.691 19642 5627 1 11 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.512 -0.359 19642 5628 1 11 . 1 1 91 91 GLU C C 91 176.986 176.986 175.338 1.648 19642 5629 1 11 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.211 0.324 19642 5630 1 11 . 1 1 91 91 GLU CB C 91 30.029 30.029 29.154 0.875 19642 5631 1 11 . 1 1 91 91 GLU H H 91 8.414 8.414 8.529 -0.115 19642 5632 1 11 . 1 1 92 92 LYS N N 92 121.284 121.284 122.203 -0.919 19642 5633 1 11 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.556 -0.266 19642 5634 1 11 . 1 1 92 92 LYS C C 92 176.699 176.699 174.354 2.345 19642 5635 1 11 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.425 0.617 19642 5636 1 11 . 1 1 92 92 LYS CB C 92 32.705 32.705 35.276 -2.571 19642 5637 1 11 . 1 1 92 92 LYS H H 92 8.212 8.212 8.179 0.033 19642 5638 1 11 . 1 1 93 93 ASN N N 93 119.221 119.221 118.356 0.865 19642 5639 1 11 . 1 1 93 93 ASN HA H 93 4.700 4.700 5.006 -0.306 19642 5640 1 11 . 1 1 93 93 ASN C C 93 174.424 174.424 173.866 0.558 19642 5641 1 11 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.092 0.018 19642 5642 1 11 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.419 0.307 19642 5643 1 11 . 1 1 93 93 ASN H H 93 8.370 8.370 8.654 -0.284 19642 5644 1 12 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.711 -0.018 19642 5645 1 12 . 1 1 2 2 HIS C C 2 175.244 175.244 174.027 1.217 19642 5646 1 12 . 1 1 2 2 HIS CA C 2 55.849 55.849 55.852 -0.004 19642 5647 1 12 . 1 1 2 2 HIS CB C 2 30.165 30.165 30.640 -0.474 19642 5648 1 12 . 1 1 3 3 MET HA H 3 4.464 4.464 4.603 -0.139 19642 5649 1 12 . 1 1 3 3 MET C C 3 175.896 175.896 175.229 0.667 19642 5650 1 12 . 1 1 3 3 MET CA C 3 55.188 55.188 54.422 0.766 19642 5651 1 12 . 1 1 3 3 MET CB C 3 32.736 32.736 32.083 0.653 19642 5652 1 12 . 1 1 4 4 ASN N N 4 120.610 120.610 121.632 -1.022 19642 5653 1 12 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.784 -0.032 19642 5654 1 12 . 1 1 4 4 ASN C C 4 175.033 175.033 175.054 -0.021 19642 5655 1 12 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.261 -0.533 19642 5656 1 12 . 1 1 4 4 ASN CB C 4 38.604 38.604 39.046 -0.442 19642 5657 1 12 . 1 1 4 4 ASN H H 4 8.564 8.564 8.506 0.058 19642 5658 1 12 . 1 1 5 5 LEU N N 5 122.314 122.314 118.710 3.604 19642 5659 1 12 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.126 0.484 19642 5660 1 12 . 1 1 5 5 LEU C C 5 178.178 178.178 175.958 2.220 19642 5661 1 12 . 1 1 5 5 LEU CA C 5 54.305 54.305 55.307 -1.002 19642 5662 1 12 . 1 1 5 5 LEU CB C 5 43.343 43.343 42.652 0.691 19642 5663 1 12 . 1 1 5 5 LEU H H 5 8.046 8.046 8.450 -0.404 19642 5664 1 12 . 1 1 6 6 THR N N 6 115.483 115.483 114.172 1.311 19642 5665 1 12 . 1 1 6 6 THR HA H 6 4.626 4.626 4.764 -0.138 19642 5666 1 12 . 1 1 6 6 THR CA C 6 60.039 60.039 59.937 0.102 19642 5667 1 12 . 1 1 6 6 THR CB C 6 68.119 68.119 69.275 -1.155 19642 5668 1 12 . 1 1 6 6 THR H H 6 8.948 8.948 8.324 0.624 19642 5669 1 12 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.167 -0.024 19642 5670 1 12 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.810 -0.237 19642 5671 1 12 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.812 -0.173 19642 5672 1 12 . 1 1 8 8 GLU N N 8 116.691 116.691 117.891 -1.200 19642 5673 1 12 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.022 0.089 19642 5674 1 12 . 1 1 8 8 GLU CA C 8 59.572 59.572 60.587 -1.015 19642 5675 1 12 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.099 -0.209 19642 5676 1 12 . 1 1 8 8 GLU H H 8 8.753 8.753 8.968 -0.215 19642 5677 1 12 . 1 1 9 9 GLU N N 9 121.235 121.235 118.761 2.474 19642 5678 1 12 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.064 -0.023 19642 5679 1 12 . 1 1 9 9 GLU C C 9 180.194 180.194 179.250 0.944 19642 5680 1 12 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.386 -0.859 19642 5681 1 12 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.352 1.214 19642 5682 1 12 . 1 1 9 9 GLU H H 9 7.823 7.823 8.137 -0.314 19642 5683 1 12 . 1 1 10 10 ARG N N 10 120.373 120.373 119.026 1.347 19642 5684 1 12 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.046 -0.159 19642 5685 1 12 . 1 1 10 10 ARG C C 10 180.714 180.714 177.522 3.192 19642 5686 1 12 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.971 0.814 19642 5687 1 12 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.137 -0.266 19642 5688 1 12 . 1 1 10 10 ARG H H 10 8.363 8.363 8.193 0.170 19642 5689 1 12 . 1 1 11 11 ASP N N 11 123.103 123.103 118.927 4.176 19642 5690 1 12 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.477 -0.163 19642 5691 1 12 . 1 1 11 11 ASP C C 11 179.081 179.081 177.758 1.323 19642 5692 1 12 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.921 0.762 19642 5693 1 12 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.406 -1.384 19642 5694 1 12 . 1 1 11 11 ASP H H 11 8.709 8.709 7.981 0.728 19642 5695 1 12 . 1 1 12 12 ALA N N 12 119.926 119.926 121.558 -1.632 19642 5696 1 12 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.173 0.070 19642 5697 1 12 . 1 1 12 12 ALA C C 12 177.593 177.593 179.250 -1.657 19642 5698 1 12 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.645 0.163 19642 5699 1 12 . 1 1 12 12 ALA CB C 12 18.341 18.341 18.360 -0.019 19642 5700 1 12 . 1 1 12 12 ALA H H 12 7.615 7.615 7.815 -0.200 19642 5701 1 12 . 1 1 13 13 ARG N N 13 113.504 113.504 117.644 -4.140 19642 5702 1 12 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.150 0.277 19642 5703 1 12 . 1 1 13 13 ARG C C 13 174.905 174.905 176.863 -1.958 19642 5704 1 12 . 1 1 13 13 ARG CA C 13 55.588 55.588 56.865 -1.277 19642 5705 1 12 . 1 1 13 13 ARG CB C 13 30.789 30.789 29.585 1.204 19642 5706 1 12 . 1 1 13 13 ARG H H 13 7.204 7.204 7.625 -0.421 19642 5707 1 12 . 1 1 14 14 THR N N 14 117.103 117.103 115.524 1.579 19642 5708 1 12 . 1 1 14 14 THR HA H 14 5.589 5.589 4.416 1.173 19642 5709 1 12 . 1 1 14 14 THR C C 14 174.610 174.610 175.148 -0.538 19642 5710 1 12 . 1 1 14 14 THR CA C 14 61.993 61.993 64.834 -2.841 19642 5711 1 12 . 1 1 14 14 THR CB C 14 70.185 70.185 69.281 0.904 19642 5712 1 12 . 1 1 14 14 THR H H 14 7.685 7.685 7.848 -0.163 19642 5713 1 12 . 1 1 15 15 VAL N N 15 117.127 117.127 123.463 -6.336 19642 5714 1 12 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.451 0.629 19642 5715 1 12 . 1 1 15 15 VAL C C 15 173.786 173.786 174.858 -1.072 19642 5716 1 12 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.395 -1.810 19642 5717 1 12 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.127 0.696 19642 5718 1 12 . 1 1 15 15 VAL H H 15 9.154 9.154 8.886 0.268 19642 5719 1 12 . 1 1 16 16 PHE N N 16 122.697 122.697 128.353 -5.656 19642 5720 1 12 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.857 0.326 19642 5721 1 12 . 1 1 16 16 PHE C C 16 174.520 174.520 175.361 -0.841 19642 5722 1 12 . 1 1 16 16 PHE CA C 16 54.981 54.981 57.906 -2.925 19642 5723 1 12 . 1 1 16 16 PHE CB C 16 42.266 42.266 41.045 1.221 19642 5724 1 12 . 1 1 16 16 PHE H H 16 9.359 9.359 8.212 1.147 19642 5725 1 12 . 1 1 17 17 CYS N N 17 122.356 122.356 119.235 3.121 19642 5726 1 12 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.615 0.952 19642 5727 1 12 . 1 1 17 17 CYS C C 17 173.018 173.018 173.302 -0.284 19642 5728 1 12 . 1 1 17 17 CYS CA C 17 55.708 55.708 56.162 -0.454 19642 5729 1 12 . 1 1 17 17 CYS CB C 17 30.776 30.776 31.442 -0.666 19642 5730 1 12 . 1 1 17 17 CYS H H 17 8.931 8.931 8.039 0.892 19642 5731 1 12 . 1 1 18 18 MET N N 18 117.884 117.884 120.160 -2.276 19642 5732 1 12 . 1 1 18 18 MET HA H 18 4.846 4.846 4.306 0.540 19642 5733 1 12 . 1 1 18 18 MET C C 18 173.706 173.706 175.147 -1.441 19642 5734 1 12 . 1 1 18 18 MET CA C 18 53.623 53.623 56.351 -2.728 19642 5735 1 12 . 1 1 18 18 MET CB C 18 31.772 31.772 33.063 -1.291 19642 5736 1 12 . 1 1 18 18 MET H H 18 8.818 8.818 8.503 0.315 19642 5737 1 12 . 1 1 19 19 GLN N N 19 115.022 115.022 120.181 -5.159 19642 5738 1 12 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.431 -0.733 19642 5739 1 12 . 1 1 19 19 GLN C C 19 173.403 173.403 174.142 -0.739 19642 5740 1 12 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.913 2.095 19642 5741 1 12 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.733 -1.811 19642 5742 1 12 . 1 1 19 19 GLN H H 19 8.463 8.463 7.788 0.675 19642 5743 1 12 . 1 1 20 20 LEU N N 20 116.032 116.032 120.259 -4.227 19642 5744 1 12 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.170 0.084 19642 5745 1 12 . 1 1 20 20 LEU C C 20 177.827 177.827 176.963 0.864 19642 5746 1 12 . 1 1 20 20 LEU CA C 20 52.595 52.595 55.320 -2.725 19642 5747 1 12 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.294 0.964 19642 5748 1 12 . 1 1 20 20 LEU H H 20 7.685 7.685 7.470 0.215 19642 5749 1 12 . 1 1 21 21 ALA N N 21 125.644 125.644 123.325 2.319 19642 5750 1 12 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.619 -0.474 19642 5751 1 12 . 1 1 21 21 ALA C C 21 178.868 178.868 177.755 1.113 19642 5752 1 12 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.063 0.598 19642 5753 1 12 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.355 -1.001 19642 5754 1 12 . 1 1 21 21 ALA H H 21 9.473 9.473 8.068 1.405 19642 5755 1 12 . 1 1 22 22 ALA N N 22 124.495 124.495 121.710 2.785 19642 5756 1 12 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.262 -0.153 19642 5757 1 12 . 1 1 22 22 ALA C C 22 179.705 179.705 178.495 1.210 19642 5758 1 12 . 1 1 22 22 ALA CA C 22 54.560 54.560 54.235 0.325 19642 5759 1 12 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.635 -0.277 19642 5760 1 12 . 1 1 22 22 ALA H H 22 8.583 8.583 8.443 0.140 19642 5761 1 12 . 1 1 23 23 ARG N N 23 111.716 111.716 117.481 -5.765 19642 5762 1 12 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.561 -0.193 19642 5763 1 12 . 1 1 23 23 ARG C C 23 176.243 176.243 175.073 1.170 19642 5764 1 12 . 1 1 23 23 ARG CA C 23 55.136 55.136 54.378 0.758 19642 5765 1 12 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.250 -1.089 19642 5766 1 12 . 1 1 23 23 ARG H H 23 7.905 7.905 8.295 -0.390 19642 5767 1 12 . 1 1 24 24 ILE N N 24 121.734 121.734 120.801 0.933 19642 5768 1 12 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.142 -0.250 19642 5769 1 12 . 1 1 24 24 ILE C C 24 173.297 173.297 176.091 -2.794 19642 5770 1 12 . 1 1 24 24 ILE CA C 24 61.336 61.336 61.251 0.085 19642 5771 1 12 . 1 1 24 24 ILE CB C 24 38.751 38.751 39.127 -0.376 19642 5772 1 12 . 1 1 24 24 ILE H H 24 7.270 7.270 7.418 -0.148 19642 5773 1 12 . 1 1 25 25 ARG N N 25 125.810 125.810 125.221 0.589 19642 5774 1 12 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.816 0.139 19642 5775 1 12 . 1 1 25 25 ARG CA C 25 52.417 52.417 52.805 -0.388 19642 5776 1 12 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.849 0.115 19642 5777 1 12 . 1 1 25 25 ARG H H 25 8.994 8.994 8.076 0.918 19642 5778 1 12 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.132 -0.072 19642 5779 1 12 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.873 0.799 19642 5780 1 12 . 1 1 26 26 PRO CB C 26 31.460 31.460 31.988 -0.528 19642 5781 1 12 . 1 1 27 27 ARG N N 27 114.118 114.118 117.926 -3.808 19642 5782 1 12 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.249 -0.009 19642 5783 1 12 . 1 1 27 27 ARG C C 27 178.376 178.376 177.156 1.220 19642 5784 1 12 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.877 -0.762 19642 5785 1 12 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.571 -0.030 19642 5786 1 12 . 1 1 27 27 ARG H H 27 8.362 8.362 8.335 0.027 19642 5787 1 12 . 1 1 28 28 ASP N N 28 116.954 116.954 119.814 -2.860 19642 5788 1 12 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.410 0.051 19642 5789 1 12 . 1 1 28 28 ASP C C 28 180.328 180.328 178.601 1.727 19642 5790 1 12 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.198 0.329 19642 5791 1 12 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.333 1.231 19642 5792 1 12 . 1 1 28 28 ASP H H 28 7.688 7.688 7.829 -0.141 19642 5793 1 12 . 1 1 29 29 LEU N N 29 117.931 117.931 118.396 -0.465 19642 5794 1 12 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.086 0.231 19642 5795 1 12 . 1 1 29 29 LEU C C 29 178.541 178.541 178.455 0.086 19642 5796 1 12 . 1 1 29 29 LEU CA C 29 56.849 56.849 56.555 0.294 19642 5797 1 12 . 1 1 29 29 LEU CB C 29 41.772 41.772 40.970 0.802 19642 5798 1 12 . 1 1 29 29 LEU H H 29 7.173 7.173 7.819 -0.646 19642 5799 1 12 . 1 1 30 30 GLU N N 30 121.321 121.321 120.451 0.870 19642 5800 1 12 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.179 -0.391 19642 5801 1 12 . 1 1 30 30 GLU C C 30 179.497 179.497 179.014 0.483 19642 5802 1 12 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.656 0.643 19642 5803 1 12 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.380 0.293 19642 5804 1 12 . 1 1 30 30 GLU H H 30 8.632 8.632 7.685 0.947 19642 5805 1 12 . 1 1 31 31 GLU N N 31 118.162 118.162 119.822 -1.660 19642 5806 1 12 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.112 -0.045 19642 5807 1 12 . 1 1 31 31 GLU C C 31 179.635 179.635 179.165 0.470 19642 5808 1 12 . 1 1 31 31 GLU CA C 31 59.357 59.357 59.344 0.013 19642 5809 1 12 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.180 0.316 19642 5810 1 12 . 1 1 31 31 GLU H H 31 8.405 8.405 8.478 -0.073 19642 5811 1 12 . 1 1 32 32 PHE N N 32 120.127 120.127 122.169 -2.042 19642 5812 1 12 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.077 0.276 19642 5813 1 12 . 1 1 32 32 PHE C C 32 177.183 177.183 177.027 0.156 19642 5814 1 12 . 1 1 32 32 PHE CA C 32 60.941 60.941 61.033 -0.092 19642 5815 1 12 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.428 1.494 19642 5816 1 12 . 1 1 32 32 PHE H H 32 7.767 7.767 7.543 0.224 19642 5817 1 12 . 1 1 33 33 PHE N N 33 112.879 112.879 114.964 -2.085 19642 5818 1 12 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.153 0.098 19642 5819 1 12 . 1 1 33 33 PHE C C 33 177.304 177.304 178.436 -1.132 19642 5820 1 12 . 1 1 33 33 PHE CA C 33 61.179 61.179 58.750 2.429 19642 5821 1 12 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.257 0.323 19642 5822 1 12 . 1 1 33 33 PHE H H 33 8.489 8.489 8.090 0.399 19642 5823 1 12 . 1 1 34 34 SER N N 34 115.870 115.870 115.716 0.154 19642 5824 1 12 . 1 1 34 34 SER HA H 34 5.119 5.119 4.652 0.467 19642 5825 1 12 . 1 1 34 34 SER C C 34 175.464 175.464 176.647 -1.183 19642 5826 1 12 . 1 1 34 34 SER CA C 34 61.268 61.268 60.993 0.275 19642 5827 1 12 . 1 1 34 34 SER CB C 34 62.915 62.915 62.721 0.194 19642 5828 1 12 . 1 1 34 34 SER H H 34 7.997 7.997 8.116 -0.119 19642 5829 1 12 . 1 1 35 35 THR N N 35 110.934 110.934 112.771 -1.837 19642 5830 1 12 . 1 1 35 35 THR HA H 35 4.147 4.147 4.253 -0.106 19642 5831 1 12 . 1 1 35 35 THR C C 35 176.410 176.410 175.520 0.890 19642 5832 1 12 . 1 1 35 35 THR CA C 35 63.756 63.756 64.424 -0.668 19642 5833 1 12 . 1 1 35 35 THR CB C 35 68.802 68.802 69.169 -0.367 19642 5834 1 12 . 1 1 35 35 THR H H 35 7.188 7.188 7.797 -0.609 19642 5835 1 12 . 1 1 36 36 VAL N N 36 111.644 111.644 112.283 -0.639 19642 5836 1 12 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.532 0.091 19642 5837 1 12 . 1 1 36 36 VAL C C 36 176.046 176.046 175.255 0.791 19642 5838 1 12 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.671 -1.199 19642 5839 1 12 . 1 1 36 36 VAL CB C 36 32.425 32.425 33.081 -0.656 19642 5840 1 12 . 1 1 36 36 VAL H H 36 7.665 7.665 7.596 0.069 19642 5841 1 12 . 1 1 37 37 GLY N N 37 109.343 109.343 110.152 -0.809 19642 5842 1 12 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.674 -0.405 19642 5843 1 12 . 1 1 37 37 GLY H H 37 7.640 7.640 7.471 0.169 19642 5844 1 12 . 1 1 38 38 LYS N N 38 117.953 117.953 119.447 -1.494 19642 5845 1 12 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.462 0.077 19642 5846 1 12 . 1 1 38 38 LYS CA C 38 55.724 55.724 54.616 1.108 19642 5847 1 12 . 1 1 38 38 LYS CB C 38 32.875 32.875 34.744 -1.869 19642 5848 1 12 . 1 1 38 38 LYS H H 38 8.246 8.246 8.135 0.111 19642 5849 1 12 . 1 1 39 39 VAL N N 39 128.639 128.639 124.134 4.505 19642 5850 1 12 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.328 0.357 19642 5851 1 12 . 1 1 39 39 VAL CA C 39 62.816 62.816 63.123 -0.307 19642 5852 1 12 . 1 1 39 39 VAL CB C 39 32.992 32.992 32.002 0.990 19642 5853 1 12 . 1 1 39 39 VAL H H 39 9.126 9.126 8.518 0.608 19642 5854 1 12 . 1 1 40 40 ARG N N 40 129.292 129.292 126.563 2.729 19642 5855 1 12 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.393 -0.114 19642 5856 1 12 . 1 1 40 40 ARG C C 40 175.643 175.643 175.400 0.243 19642 5857 1 12 . 1 1 40 40 ARG CA C 40 56.334 56.334 56.399 -0.065 19642 5858 1 12 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.898 -0.238 19642 5859 1 12 . 1 1 40 40 ARG H H 40 9.573 9.573 8.832 0.741 19642 5860 1 12 . 1 1 41 41 ASP N N 41 116.255 116.255 115.030 1.225 19642 5861 1 12 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.810 0.030 19642 5862 1 12 . 1 1 41 41 ASP C C 41 173.674 173.674 173.603 0.071 19642 5863 1 12 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.389 0.316 19642 5864 1 12 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.188 0.715 19642 5865 1 12 . 1 1 41 41 ASP H H 41 7.762 7.762 7.725 0.037 19642 5866 1 12 . 1 1 42 42 VAL N N 42 122.442 122.442 120.117 2.325 19642 5867 1 12 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.422 0.213 19642 5868 1 12 . 1 1 42 42 VAL C C 42 174.714 174.714 175.608 -0.894 19642 5869 1 12 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.521 -0.247 19642 5870 1 12 . 1 1 42 42 VAL CB C 42 34.832 34.832 34.144 0.688 19642 5871 1 12 . 1 1 42 42 VAL H H 42 7.939 7.939 8.348 -0.409 19642 5872 1 12 . 1 1 43 43 ARG N N 43 126.687 126.687 126.920 -0.233 19642 5873 1 12 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.790 -0.025 19642 5874 1 12 . 1 1 43 43 ARG C C 43 175.278 175.278 175.439 -0.161 19642 5875 1 12 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.779 -0.401 19642 5876 1 12 . 1 1 43 43 ARG CB C 43 32.434 32.434 31.025 1.409 19642 5877 1 12 . 1 1 43 43 ARG H H 43 9.171 9.171 8.886 0.285 19642 5878 1 12 . 1 1 44 44 MET N N 44 123.092 123.092 119.145 3.947 19642 5879 1 12 . 1 1 44 44 MET HA H 44 4.906 4.906 4.637 0.269 19642 5880 1 12 . 1 1 44 44 MET C C 44 176.360 176.360 175.734 0.626 19642 5881 1 12 . 1 1 44 44 MET CA C 44 53.152 53.152 56.324 -3.172 19642 5882 1 12 . 1 1 44 44 MET CB C 44 32.940 32.940 33.402 -0.462 19642 5883 1 12 . 1 1 44 44 MET H H 44 8.939 8.939 8.022 0.917 19642 5884 1 12 . 1 1 45 45 ILE N N 45 124.146 124.146 122.039 2.107 19642 5885 1 12 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.352 0.108 19642 5886 1 12 . 1 1 45 45 ILE C C 45 175.961 175.961 176.302 -0.341 19642 5887 1 12 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.286 -0.339 19642 5888 1 12 . 1 1 45 45 ILE CB C 45 38.193 38.193 39.130 -0.938 19642 5889 1 12 . 1 1 45 45 ILE H H 45 8.319 8.319 8.207 0.112 19642 5890 1 12 . 1 1 46 46 SER N N 46 121.541 121.541 124.724 -3.183 19642 5891 1 12 . 1 1 46 46 SER HA H 46 4.709 4.709 4.409 0.300 19642 5892 1 12 . 1 1 46 46 SER C C 46 174.061 174.061 173.994 0.067 19642 5893 1 12 . 1 1 46 46 SER CA C 46 57.381 57.381 58.497 -1.116 19642 5894 1 12 . 1 1 46 46 SER CB C 46 64.273 64.273 62.417 1.856 19642 5895 1 12 . 1 1 46 46 SER H H 46 8.653 8.653 8.806 -0.153 19642 5896 1 12 . 1 1 47 47 ASP N N 47 123.132 123.132 125.725 -2.593 19642 5897 1 12 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.665 -0.007 19642 5898 1 12 . 1 1 47 47 ASP C C 47 177.203 177.203 174.975 2.228 19642 5899 1 12 . 1 1 47 47 ASP CA C 47 53.662 53.662 54.234 -0.572 19642 5900 1 12 . 1 1 47 47 ASP CB C 47 41.920 41.920 42.016 -0.096 19642 5901 1 12 . 1 1 47 47 ASP H H 47 8.598 8.598 8.128 0.470 19642 5902 1 12 . 1 1 48 48 ARG N N 48 122.881 122.881 119.408 3.473 19642 5903 1 12 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.410 -0.203 19642 5904 1 12 . 1 1 48 48 ARG C C 48 177.090 177.090 176.358 0.732 19642 5905 1 12 . 1 1 48 48 ARG CA C 48 57.206 57.206 55.054 2.152 19642 5906 1 12 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.087 -1.312 19642 5907 1 12 . 1 1 48 48 ARG H H 48 8.648 8.648 8.336 0.312 19642 5908 1 12 . 1 1 49 49 ASN N N 49 117.245 117.245 120.221 -2.976 19642 5909 1 12 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.408 0.338 19642 5910 1 12 . 1 1 49 49 ASN C C 49 175.822 175.822 176.256 -0.434 19642 5911 1 12 . 1 1 49 49 ASN CA C 49 53.592 53.592 55.161 -1.569 19642 5912 1 12 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.142 0.769 19642 5913 1 12 . 1 1 49 49 ASN H H 49 8.502 8.502 8.892 -0.390 19642 5914 1 12 . 1 1 50 50 SER N N 50 114.891 114.891 113.133 1.758 19642 5915 1 12 . 1 1 50 50 SER HA H 50 4.429 4.429 4.300 0.129 19642 5916 1 12 . 1 1 50 50 SER C C 50 175.339 175.339 174.903 0.436 19642 5917 1 12 . 1 1 50 50 SER CA C 50 58.396 58.396 59.402 -1.006 19642 5918 1 12 . 1 1 50 50 SER CB C 50 63.681 63.681 63.195 0.486 19642 5919 1 12 . 1 1 50 50 SER H H 50 8.158 8.158 8.205 -0.047 19642 5920 1 12 . 1 1 51 51 ARG N N 51 120.957 120.957 116.694 4.263 19642 5921 1 12 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.388 -0.099 19642 5922 1 12 . 1 1 51 51 ARG C C 51 176.845 176.845 175.240 1.605 19642 5923 1 12 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.390 0.282 19642 5924 1 12 . 1 1 51 51 ARG CB C 51 29.620 29.620 32.779 -3.159 19642 5925 1 12 . 1 1 51 51 ARG H H 51 8.451 8.451 7.742 0.709 19642 5926 1 12 . 1 1 52 52 ARG N N 52 119.405 119.405 119.426 -0.021 19642 5927 1 12 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.097 0.323 19642 5928 1 12 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.704 -0.939 19642 5929 1 12 . 1 1 52 52 ARG CB C 52 30.875 30.875 27.399 3.476 19642 5930 1 12 . 1 1 52 52 ARG H H 52 8.159 8.159 8.552 -0.393 19642 5931 1 12 . 1 1 53 53 SER N N 53 116.328 116.328 115.672 0.656 19642 5932 1 12 . 1 1 53 53 SER HA H 53 4.492 4.492 4.343 0.149 19642 5933 1 12 . 1 1 53 53 SER CA C 53 58.142 58.142 58.886 -0.744 19642 5934 1 12 . 1 1 53 53 SER CB C 53 63.447 63.447 62.961 0.486 19642 5935 1 12 . 1 1 53 53 SER H H 53 8.370 8.370 8.702 -0.332 19642 5936 1 12 . 1 1 54 54 LYS N N 54 122.099 122.099 117.030 5.069 19642 5937 1 12 . 1 1 54 54 LYS HA H 54 4.499 4.499 3.931 0.568 19642 5938 1 12 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.180 -1.617 19642 5939 1 12 . 1 1 54 54 LYS CB C 54 33.079 33.079 31.056 2.023 19642 5940 1 12 . 1 1 54 54 LYS H H 54 8.374 8.374 7.234 1.140 19642 5941 1 12 . 1 1 55 55 GLY N N 55 109.513 109.513 104.738 4.775 19642 5942 1 12 . 1 1 55 55 GLY C C 55 172.962 172.962 172.941 0.021 19642 5943 1 12 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.505 1.389 19642 5944 1 12 . 1 1 55 55 GLY H H 55 8.592 8.592 8.204 0.388 19642 5945 1 12 . 1 1 56 56 ILE N N 56 114.180 114.180 117.941 -3.761 19642 5946 1 12 . 1 1 56 56 ILE HA H 56 5.012 5.012 4.843 0.169 19642 5947 1 12 . 1 1 56 56 ILE C C 56 175.172 175.172 173.781 1.391 19642 5948 1 12 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.352 0.379 19642 5949 1 12 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.983 0.180 19642 5950 1 12 . 1 1 56 56 ILE H H 56 7.618 7.618 7.924 -0.306 19642 5951 1 12 . 1 1 57 57 ALA N N 57 121.556 121.556 121.985 -0.429 19642 5952 1 12 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.206 -0.086 19642 5953 1 12 . 1 1 57 57 ALA C C 57 175.094 175.094 175.177 -0.083 19642 5954 1 12 . 1 1 57 57 ALA CA C 57 50.699 50.699 50.763 -0.064 19642 5955 1 12 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.775 1.395 19642 5956 1 12 . 1 1 57 57 ALA H H 57 8.308 8.308 7.564 0.744 19642 5957 1 12 . 1 1 58 58 TYR N N 58 118.387 118.387 116.572 1.815 19642 5958 1 12 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.436 0.045 19642 5959 1 12 . 1 1 58 58 TYR C C 58 175.537 175.537 174.500 1.037 19642 5960 1 12 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.206 0.307 19642 5961 1 12 . 1 1 58 58 TYR CB C 58 40.607 40.607 42.861 -2.254 19642 5962 1 12 . 1 1 58 58 TYR H H 58 8.971 8.971 9.010 -0.039 19642 5963 1 12 . 1 1 59 59 VAL N N 59 122.978 122.978 120.965 2.013 19642 5964 1 12 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.848 -0.472 19642 5965 1 12 . 1 1 59 59 VAL C C 59 172.631 172.631 174.659 -2.028 19642 5966 1 12 . 1 1 59 59 VAL CA C 59 61.217 61.217 60.539 0.678 19642 5967 1 12 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.934 -1.359 19642 5968 1 12 . 1 1 59 59 VAL H H 59 8.828 8.828 8.712 0.116 19642 5969 1 12 . 1 1 60 60 GLU N N 60 128.557 128.557 129.740 -1.183 19642 5970 1 12 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.404 0.447 19642 5971 1 12 . 1 1 60 60 GLU C C 60 176.210 176.210 175.248 0.962 19642 5972 1 12 . 1 1 60 60 GLU CA C 60 53.842 53.842 57.291 -3.449 19642 5973 1 12 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.647 2.456 19642 5974 1 12 . 1 1 60 60 GLU H H 60 8.774 8.774 8.751 0.023 19642 5975 1 12 . 1 1 61 61 PHE N N 61 126.659 126.659 122.594 4.065 19642 5976 1 12 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.595 0.321 19642 5977 1 12 . 1 1 61 61 PHE C C 61 176.011 176.011 175.709 0.302 19642 5978 1 12 . 1 1 61 61 PHE CA C 61 58.586 58.586 57.922 0.664 19642 5979 1 12 . 1 1 61 61 PHE CB C 61 41.038 41.038 42.114 -1.076 19642 5980 1 12 . 1 1 61 61 PHE H H 61 9.340 9.340 8.593 0.747 19642 5981 1 12 . 1 1 62 62 VAL N N 62 118.280 118.280 118.898 -0.618 19642 5982 1 12 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.970 -0.227 19642 5983 1 12 . 1 1 62 62 VAL C C 62 176.097 176.097 175.728 0.369 19642 5984 1 12 . 1 1 62 62 VAL CA C 62 65.785 65.785 63.786 1.999 19642 5985 1 12 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.092 0.719 19642 5986 1 12 . 1 1 62 62 VAL H H 62 8.184 8.184 7.731 0.453 19642 5987 1 12 . 1 1 63 63 ASP N N 63 118.269 118.269 118.316 -0.047 19642 5988 1 12 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.888 0.304 19642 5989 1 12 . 1 1 63 63 ASP C C 63 176.648 176.648 176.033 0.615 19642 5990 1 12 . 1 1 63 63 ASP CA C 63 52.639 52.639 53.455 -0.816 19642 5991 1 12 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.805 0.764 19642 5992 1 12 . 1 1 63 63 ASP H H 63 8.708 8.708 8.017 0.691 19642 5993 1 12 . 1 1 64 64 VAL N N 64 121.961 121.961 124.244 -2.283 19642 5994 1 12 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.835 -0.024 19642 5995 1 12 . 1 1 64 64 VAL C C 64 178.439 178.439 177.037 1.402 19642 5996 1 12 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.967 -0.148 19642 5997 1 12 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.210 -0.160 19642 5998 1 12 . 1 1 64 64 VAL H H 64 8.609 8.609 8.721 -0.112 19642 5999 1 12 . 1 1 65 65 SER N N 65 115.305 115.305 115.903 -0.598 19642 6000 1 12 . 1 1 65 65 SER HA H 65 4.143 4.143 4.184 -0.042 19642 6001 1 12 . 1 1 65 65 SER C C 65 176.285 176.285 175.985 0.300 19642 6002 1 12 . 1 1 65 65 SER CA C 65 60.158 60.158 61.155 -0.997 19642 6003 1 12 . 1 1 65 65 SER CB C 65 62.066 62.066 62.878 -0.812 19642 6004 1 12 . 1 1 65 65 SER H H 65 8.492 8.492 8.630 -0.138 19642 6005 1 12 . 1 1 66 66 SER N N 66 116.053 116.053 117.137 -1.084 19642 6006 1 12 . 1 1 66 66 SER HA H 66 4.024 4.024 4.256 -0.232 19642 6007 1 12 . 1 1 66 66 SER C C 66 174.528 174.528 175.115 -0.587 19642 6008 1 12 . 1 1 66 66 SER CA C 66 60.749 60.749 59.539 1.210 19642 6009 1 12 . 1 1 66 66 SER CB C 66 63.063 63.063 62.767 0.296 19642 6010 1 12 . 1 1 66 66 SER H H 66 7.414 7.414 7.981 -0.567 19642 6011 1 12 . 1 1 67 67 VAL N N 67 119.830 119.830 122.946 -3.116 19642 6012 1 12 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.563 -0.243 19642 6013 1 12 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.731 0.307 19642 6014 1 12 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.741 -0.543 19642 6015 1 12 . 1 1 67 67 VAL H H 67 7.611 7.611 7.631 -0.020 19642 6016 1 12 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.298 -0.033 19642 6017 1 12 . 1 1 68 68 PRO C C 68 180.457 180.457 178.194 2.263 19642 6018 1 12 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.332 -0.260 19642 6019 1 12 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.305 -0.567 19642 6020 1 12 . 1 1 69 69 LEU N N 69 115.334 115.334 121.077 -5.743 19642 6021 1 12 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.995 0.104 19642 6022 1 12 . 1 1 69 69 LEU C C 69 179.450 179.450 178.117 1.333 19642 6023 1 12 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.377 -0.935 19642 6024 1 12 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.308 -0.186 19642 6025 1 12 . 1 1 69 69 LEU H H 69 6.284 6.284 7.354 -1.070 19642 6026 1 12 . 1 1 70 70 ALA N N 70 122.703 122.703 121.049 1.654 19642 6027 1 12 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.090 0.085 19642 6028 1 12 . 1 1 70 70 ALA C C 70 180.611 180.611 180.529 0.082 19642 6029 1 12 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.838 0.057 19642 6030 1 12 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.898 1.646 19642 6031 1 12 . 1 1 70 70 ALA H H 70 8.342 8.342 7.859 0.483 19642 6032 1 12 . 1 1 71 71 ILE N N 71 118.692 118.692 119.356 -0.664 19642 6033 1 12 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.695 0.570 19642 6034 1 12 . 1 1 71 71 ILE C C 71 179.971 179.971 178.229 1.742 19642 6035 1 12 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.745 0.372 19642 6036 1 12 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.701 0.899 19642 6037 1 12 . 1 1 71 71 ILE H H 71 8.255 8.255 7.539 0.716 19642 6038 1 12 . 1 1 72 72 GLY N N 72 106.417 106.417 105.692 0.725 19642 6039 1 12 . 1 1 72 72 GLY C C 72 174.590 174.590 175.017 -0.427 19642 6040 1 12 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.555 -0.664 19642 6041 1 12 . 1 1 72 72 GLY H H 72 7.635 7.635 8.097 -0.462 19642 6042 1 12 . 1 1 73 73 LEU N N 73 120.383 120.383 119.203 1.180 19642 6043 1 12 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.730 -0.319 19642 6044 1 12 . 1 1 73 73 LEU C C 73 176.338 176.338 177.927 -1.589 19642 6045 1 12 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.014 0.935 19642 6046 1 12 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.729 -2.136 19642 6047 1 12 . 1 1 73 73 LEU H H 73 7.767 7.767 7.372 0.395 19642 6048 1 12 . 1 1 74 74 THR N N 74 115.157 115.157 116.836 -1.679 19642 6049 1 12 . 1 1 74 74 THR HA H 74 4.060 4.060 4.244 -0.184 19642 6050 1 12 . 1 1 74 74 THR C C 74 175.656 175.656 175.898 -0.242 19642 6051 1 12 . 1 1 74 74 THR CA C 74 66.177 66.177 66.207 -0.030 19642 6052 1 12 . 1 1 74 74 THR CB C 74 69.821 69.821 68.871 0.950 19642 6053 1 12 . 1 1 74 74 THR H H 74 7.731 7.731 7.556 0.175 19642 6054 1 12 . 1 1 75 75 GLY N N 75 117.587 117.587 107.241 10.346 19642 6055 1 12 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.467 0.158 19642 6056 1 12 . 1 1 75 75 GLY H H 75 9.519 9.519 8.370 1.149 19642 6057 1 12 . 1 1 76 76 GLN N N 76 120.027 120.027 119.747 0.280 19642 6058 1 12 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.667 -0.353 19642 6059 1 12 . 1 1 76 76 GLN C C 76 175.015 175.015 174.677 0.338 19642 6060 1 12 . 1 1 76 76 GLN CA C 76 55.819 55.819 54.543 1.276 19642 6061 1 12 . 1 1 76 76 GLN CB C 76 28.220 28.220 31.165 -2.945 19642 6062 1 12 . 1 1 76 76 GLN H H 76 8.319 8.319 7.817 0.502 19642 6063 1 12 . 1 1 77 77 ARG N N 77 118.759 118.759 117.300 1.459 19642 6064 1 12 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.635 -0.504 19642 6065 1 12 . 1 1 77 77 ARG C C 77 176.209 176.209 175.655 0.554 19642 6066 1 12 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.556 0.535 19642 6067 1 12 . 1 1 77 77 ARG CB C 77 31.364 31.364 30.748 0.616 19642 6068 1 12 . 1 1 77 77 ARG H H 77 8.544 8.544 8.515 0.028 19642 6069 1 12 . 1 1 78 78 VAL N N 78 123.886 123.886 127.050 -3.164 19642 6070 1 12 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.775 0.060 19642 6071 1 12 . 1 1 78 78 VAL C C 78 176.570 176.570 175.953 0.617 19642 6072 1 12 . 1 1 78 78 VAL CA C 78 61.470 61.470 63.489 -2.019 19642 6073 1 12 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.533 0.669 19642 6074 1 12 . 1 1 78 78 VAL H H 78 8.015 8.015 7.957 0.058 19642 6075 1 12 . 1 1 79 79 LEU N N 79 129.331 129.331 128.366 0.965 19642 6076 1 12 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.969 -0.137 19642 6077 1 12 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.198 0.575 19642 6078 1 12 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.055 0.486 19642 6079 1 12 . 1 1 79 79 LEU H H 79 9.570 9.570 8.832 0.738 19642 6080 1 12 . 1 1 80 80 GLY N N 80 100.301 100.301 105.206 -4.905 19642 6081 1 12 . 1 1 80 80 GLY CA C 80 45.229 45.229 45.076 0.153 19642 6082 1 12 . 1 1 80 80 GLY H H 80 8.316 8.316 7.847 0.469 19642 6083 1 12 . 1 1 81 81 VAL N N 81 122.763 122.763 119.780 2.983 19642 6084 1 12 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.348 0.289 19642 6085 1 12 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.836 0.519 19642 6086 1 12 . 1 1 81 81 VAL CB C 81 34.897 34.897 33.274 1.623 19642 6087 1 12 . 1 1 81 81 VAL H H 81 7.632 7.632 7.540 0.092 19642 6088 1 12 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.696 -0.364 19642 6089 1 12 . 1 1 82 82 PRO C C 82 175.005 175.005 175.546 -0.541 19642 6090 1 12 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.008 0.495 19642 6091 1 12 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.812 -1.532 19642 6092 1 12 . 1 1 83 83 ILE N N 83 126.022 126.022 117.053 8.969 19642 6093 1 12 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.408 0.218 19642 6094 1 12 . 1 1 83 83 ILE C C 83 175.679 175.679 174.258 1.421 19642 6095 1 12 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.730 2.240 19642 6096 1 12 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.162 -0.249 19642 6097 1 12 . 1 1 83 83 ILE H H 83 8.391 8.391 7.641 0.750 19642 6098 1 12 . 1 1 84 84 ILE N N 84 125.284 125.284 122.724 2.560 19642 6099 1 12 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.518 -0.085 19642 6100 1 12 . 1 1 84 84 ILE C C 84 174.418 174.418 177.594 -3.176 19642 6101 1 12 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.670 1.643 19642 6102 1 12 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.538 1.362 19642 6103 1 12 . 1 1 84 84 ILE H H 84 7.842 7.842 8.503 -0.661 19642 6104 1 12 . 1 1 85 85 VAL N N 85 128.143 128.143 117.297 10.846 19642 6105 1 12 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.923 -0.306 19642 6106 1 12 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.099 0.788 19642 6107 1 12 . 1 1 85 85 VAL CB C 85 34.069 34.069 32.105 1.964 19642 6108 1 12 . 1 1 85 85 VAL H H 85 8.400 8.400 8.509 -0.109 19642 6109 1 12 . 1 1 86 86 GLN N N 86 122.965 122.965 119.865 3.100 19642 6110 1 12 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.110 0.793 19642 6111 1 12 . 1 1 86 86 GLN C C 86 175.590 175.590 176.381 -0.791 19642 6112 1 12 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.539 3.217 19642 6113 1 12 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.820 5.193 19642 6114 1 12 . 1 1 86 86 GLN H H 86 9.242 9.242 8.047 1.195 19642 6115 1 12 . 1 1 87 87 ALA N N 87 123.174 123.174 119.382 3.792 19642 6116 1 12 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.029 0.327 19642 6117 1 12 . 1 1 87 87 ALA C C 87 178.095 178.095 176.370 1.725 19642 6118 1 12 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.082 0.743 19642 6119 1 12 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.057 0.477 19642 6120 1 12 . 1 1 87 87 ALA H H 87 8.907 8.907 8.266 0.641 19642 6121 1 12 . 1 1 88 88 SER N N 88 114.952 114.952 112.417 2.535 19642 6122 1 12 . 1 1 88 88 SER HA H 88 4.294 4.294 3.953 0.341 19642 6123 1 12 . 1 1 88 88 SER C C 88 175.470 175.470 173.625 1.845 19642 6124 1 12 . 1 1 88 88 SER CA C 88 59.617 59.617 59.849 -0.232 19642 6125 1 12 . 1 1 88 88 SER CB C 88 63.409 63.409 63.090 0.319 19642 6126 1 12 . 1 1 88 88 SER H H 88 8.343 8.343 8.535 -0.192 19642 6127 1 12 . 1 1 89 89 GLN N N 89 121.151 121.151 120.708 0.443 19642 6128 1 12 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.493 -0.180 19642 6129 1 12 . 1 1 89 89 GLN C C 89 175.838 175.838 174.367 1.471 19642 6130 1 12 . 1 1 89 89 GLN CA C 89 55.286 55.286 55.103 0.183 19642 6131 1 12 . 1 1 89 89 GLN CB C 89 29.333 29.333 30.431 -1.098 19642 6132 1 12 . 1 1 89 89 GLN H H 89 8.348 8.348 8.290 0.058 19642 6133 1 12 . 1 1 90 90 ALA N N 90 124.942 124.942 120.036 4.906 19642 6134 1 12 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.600 -0.397 19642 6135 1 12 . 1 1 90 90 ALA C C 90 178.381 178.381 177.352 1.029 19642 6136 1 12 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.457 1.305 19642 6137 1 12 . 1 1 90 90 ALA CB C 90 19.071 19.071 21.383 -2.312 19642 6138 1 12 . 1 1 90 90 ALA H H 90 8.245 8.245 8.332 -0.087 19642 6139 1 12 . 1 1 91 91 GLU N N 91 119.604 119.604 120.908 -1.304 19642 6140 1 12 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.260 -0.107 19642 6141 1 12 . 1 1 91 91 GLU C C 91 176.986 176.986 175.670 1.316 19642 6142 1 12 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.456 0.079 19642 6143 1 12 . 1 1 91 91 GLU CB C 91 30.029 30.029 27.971 2.058 19642 6144 1 12 . 1 1 91 91 GLU H H 91 8.414 8.414 8.823 -0.409 19642 6145 1 12 . 1 1 92 92 LYS N N 92 121.284 121.284 119.912 1.372 19642 6146 1 12 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.621 -0.331 19642 6147 1 12 . 1 1 92 92 LYS C C 92 176.699 176.699 175.383 1.316 19642 6148 1 12 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.422 0.620 19642 6149 1 12 . 1 1 92 92 LYS CB C 92 32.705 32.705 34.485 -1.780 19642 6150 1 12 . 1 1 92 92 LYS H H 92 8.212 8.212 7.923 0.289 19642 6151 1 12 . 1 1 93 93 ASN N N 93 119.221 119.221 120.566 -1.345 19642 6152 1 12 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.843 -0.143 19642 6153 1 12 . 1 1 93 93 ASN C C 93 174.424 174.424 174.563 -0.139 19642 6154 1 12 . 1 1 93 93 ASN CA C 93 53.110 53.110 52.927 0.183 19642 6155 1 12 . 1 1 93 93 ASN CB C 93 38.726 38.726 40.211 -1.485 19642 6156 1 12 . 1 1 93 93 ASN H H 93 8.370 8.370 8.475 -0.105 19642 6157 1 13 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.688 0.005 19642 6158 1 13 . 1 1 2 2 HIS C C 2 175.244 175.244 175.426 -0.182 19642 6159 1 13 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.803 -0.954 19642 6160 1 13 . 1 1 2 2 HIS CB C 2 30.165 30.165 30.963 -0.798 19642 6161 1 13 . 1 1 3 3 MET HA H 3 4.464 4.464 4.632 -0.168 19642 6162 1 13 . 1 1 3 3 MET C C 3 175.896 175.896 175.565 0.331 19642 6163 1 13 . 1 1 3 3 MET CA C 3 55.188 55.188 55.402 -0.214 19642 6164 1 13 . 1 1 3 3 MET CB C 3 32.736 32.736 33.799 -1.063 19642 6165 1 13 . 1 1 4 4 ASN N N 4 120.610 120.610 120.496 0.114 19642 6166 1 13 . 1 1 4 4 ASN HA H 4 4.752 4.752 5.094 -0.342 19642 6167 1 13 . 1 1 4 4 ASN C C 4 175.033 175.033 173.567 1.466 19642 6168 1 13 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.037 -0.309 19642 6169 1 13 . 1 1 4 4 ASN CB C 4 38.604 38.604 40.509 -1.905 19642 6170 1 13 . 1 1 4 4 ASN H H 4 8.564 8.564 8.332 0.232 19642 6171 1 13 . 1 1 5 5 LEU N N 5 122.314 122.314 119.041 3.273 19642 6172 1 13 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.739 -0.129 19642 6173 1 13 . 1 1 5 5 LEU C C 5 178.178 178.178 175.367 2.811 19642 6174 1 13 . 1 1 5 5 LEU CA C 5 54.305 54.305 55.281 -0.976 19642 6175 1 13 . 1 1 5 5 LEU CB C 5 43.343 43.343 44.296 -0.953 19642 6176 1 13 . 1 1 5 5 LEU H H 5 8.046 8.046 8.324 -0.278 19642 6177 1 13 . 1 1 6 6 THR N N 6 115.483 115.483 116.559 -1.076 19642 6178 1 13 . 1 1 6 6 THR HA H 6 4.626 4.626 4.706 -0.080 19642 6179 1 13 . 1 1 6 6 THR CA C 6 60.039 60.039 58.878 1.161 19642 6180 1 13 . 1 1 6 6 THR CB C 6 68.119 68.119 69.719 -1.600 19642 6181 1 13 . 1 1 6 6 THR H H 6 8.948 8.948 8.183 0.765 19642 6182 1 13 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.214 -0.071 19642 6183 1 13 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.348 0.225 19642 6184 1 13 . 1 1 7 7 PRO CB C 7 31.640 31.640 32.044 -0.404 19642 6185 1 13 . 1 1 8 8 GLU N N 8 116.691 116.691 118.183 -1.492 19642 6186 1 13 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.016 0.095 19642 6187 1 13 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.158 0.414 19642 6188 1 13 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.137 -0.248 19642 6189 1 13 . 1 1 8 8 GLU H H 8 8.753 8.753 7.858 0.895 19642 6190 1 13 . 1 1 9 9 GLU N N 9 121.235 121.235 119.857 1.378 19642 6191 1 13 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.023 0.018 19642 6192 1 13 . 1 1 9 9 GLU C C 9 180.194 180.194 178.255 1.939 19642 6193 1 13 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.503 -0.976 19642 6194 1 13 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.173 1.393 19642 6195 1 13 . 1 1 9 9 GLU H H 9 7.823 7.823 8.479 -0.656 19642 6196 1 13 . 1 1 10 10 ARG N N 10 120.373 120.373 116.585 3.788 19642 6197 1 13 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.086 -0.199 19642 6198 1 13 . 1 1 10 10 ARG C C 10 180.714 180.714 177.617 3.097 19642 6199 1 13 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.663 1.122 19642 6200 1 13 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.029 -0.158 19642 6201 1 13 . 1 1 10 10 ARG H H 10 8.363 8.363 7.865 0.498 19642 6202 1 13 . 1 1 11 11 ASP N N 11 123.103 123.103 118.747 4.356 19642 6203 1 13 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.565 -0.251 19642 6204 1 13 . 1 1 11 11 ASP C C 11 179.081 179.081 177.293 1.788 19642 6205 1 13 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.110 1.573 19642 6206 1 13 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.225 -1.204 19642 6207 1 13 . 1 1 11 11 ASP H H 11 8.709 8.709 7.415 1.294 19642 6208 1 13 . 1 1 12 12 ALA N N 12 119.926 119.926 122.762 -2.836 19642 6209 1 13 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.070 0.173 19642 6210 1 13 . 1 1 12 12 ALA C C 12 177.593 177.593 178.159 -0.566 19642 6211 1 13 . 1 1 12 12 ALA CA C 12 53.808 53.808 54.478 -0.670 19642 6212 1 13 . 1 1 12 12 ALA CB C 12 18.341 18.341 19.393 -1.052 19642 6213 1 13 . 1 1 12 12 ALA H H 12 7.615 7.615 7.804 -0.189 19642 6214 1 13 . 1 1 13 13 ARG N N 13 113.504 113.504 116.429 -2.925 19642 6215 1 13 . 1 1 13 13 ARG HA H 13 4.427 4.427 3.966 0.461 19642 6216 1 13 . 1 1 13 13 ARG C C 13 174.905 174.905 174.453 0.452 19642 6217 1 13 . 1 1 13 13 ARG CA C 13 55.588 55.588 56.648 -1.060 19642 6218 1 13 . 1 1 13 13 ARG CB C 13 30.789 30.789 27.705 3.084 19642 6219 1 13 . 1 1 13 13 ARG H H 13 7.204 7.204 7.813 -0.609 19642 6220 1 13 . 1 1 14 14 THR N N 14 117.103 117.103 112.526 4.577 19642 6221 1 13 . 1 1 14 14 THR HA H 14 5.589 5.589 5.576 0.013 19642 6222 1 13 . 1 1 14 14 THR C C 14 174.610 174.610 174.111 0.499 19642 6223 1 13 . 1 1 14 14 THR CA C 14 61.993 61.993 60.276 1.717 19642 6224 1 13 . 1 1 14 14 THR CB C 14 70.185 70.185 72.686 -2.501 19642 6225 1 13 . 1 1 14 14 THR H H 14 7.685 7.685 8.115 -0.430 19642 6226 1 13 . 1 1 15 15 VAL N N 15 117.127 117.127 118.958 -1.831 19642 6227 1 13 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.488 0.592 19642 6228 1 13 . 1 1 15 15 VAL C C 15 173.786 173.786 173.979 -0.193 19642 6229 1 13 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.132 -1.547 19642 6230 1 13 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.374 0.449 19642 6231 1 13 . 1 1 15 15 VAL H H 15 9.154 9.154 8.890 0.264 19642 6232 1 13 . 1 1 16 16 PHE N N 16 122.697 122.697 129.301 -6.604 19642 6233 1 13 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.818 0.365 19642 6234 1 13 . 1 1 16 16 PHE C C 16 174.520 174.520 175.631 -1.111 19642 6235 1 13 . 1 1 16 16 PHE CA C 16 54.981 54.981 55.017 -0.036 19642 6236 1 13 . 1 1 16 16 PHE CB C 16 42.266 42.266 37.582 4.684 19642 6237 1 13 . 1 1 16 16 PHE H H 16 9.359 9.359 8.867 0.492 19642 6238 1 13 . 1 1 17 17 CYS N N 17 122.356 122.356 128.321 -5.965 19642 6239 1 13 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.306 1.261 19642 6240 1 13 . 1 1 17 17 CYS C C 17 173.018 173.018 174.037 -1.019 19642 6241 1 13 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.853 -3.145 19642 6242 1 13 . 1 1 17 17 CYS CB C 17 30.776 30.776 26.692 4.084 19642 6243 1 13 . 1 1 17 17 CYS H H 17 8.931 8.931 8.986 -0.055 19642 6244 1 13 . 1 1 18 18 MET N N 18 117.884 117.884 122.589 -4.705 19642 6245 1 13 . 1 1 18 18 MET HA H 18 4.846 4.846 3.949 0.897 19642 6246 1 13 . 1 1 18 18 MET C C 18 173.706 173.706 175.224 -1.518 19642 6247 1 13 . 1 1 18 18 MET CA C 18 53.623 53.623 55.665 -2.042 19642 6248 1 13 . 1 1 18 18 MET CB C 18 31.772 31.772 31.991 -0.219 19642 6249 1 13 . 1 1 18 18 MET H H 18 8.818 8.818 7.582 1.236 19642 6250 1 13 . 1 1 19 19 GLN N N 19 115.022 115.022 118.961 -3.939 19642 6251 1 13 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.385 -0.687 19642 6252 1 13 . 1 1 19 19 GLN C C 19 173.403 173.403 174.538 -1.135 19642 6253 1 13 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.157 2.853 19642 6254 1 13 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.472 -1.550 19642 6255 1 13 . 1 1 19 19 GLN H H 19 8.463 8.463 7.950 0.513 19642 6256 1 13 . 1 1 20 20 LEU N N 20 116.032 116.032 121.181 -5.149 19642 6257 1 13 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.339 -0.085 19642 6258 1 13 . 1 1 20 20 LEU C C 20 177.827 177.827 176.887 0.940 19642 6259 1 13 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.455 -1.860 19642 6260 1 13 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.860 0.398 19642 6261 1 13 . 1 1 20 20 LEU H H 20 7.685 7.685 7.278 0.407 19642 6262 1 13 . 1 1 21 21 ALA N N 21 125.644 125.644 125.542 0.102 19642 6263 1 13 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.273 -0.128 19642 6264 1 13 . 1 1 21 21 ALA C C 21 178.868 178.868 178.117 0.751 19642 6265 1 13 . 1 1 21 21 ALA CA C 21 51.661 51.661 52.316 -0.655 19642 6266 1 13 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.735 -0.381 19642 6267 1 13 . 1 1 21 21 ALA H H 21 9.473 9.473 8.534 0.939 19642 6268 1 13 . 1 1 22 22 ALA N N 22 124.495 124.495 124.391 0.104 19642 6269 1 13 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.206 -0.097 19642 6270 1 13 . 1 1 22 22 ALA C C 22 179.705 179.705 178.452 1.253 19642 6271 1 13 . 1 1 22 22 ALA CA C 22 54.560 54.560 53.687 0.873 19642 6272 1 13 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.545 -0.187 19642 6273 1 13 . 1 1 22 22 ALA H H 22 8.583 8.583 8.683 -0.100 19642 6274 1 13 . 1 1 23 23 ARG N N 23 111.716 111.716 117.386 -5.670 19642 6275 1 13 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.522 -0.154 19642 6276 1 13 . 1 1 23 23 ARG C C 23 176.243 176.243 176.146 0.097 19642 6277 1 13 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.137 -0.001 19642 6278 1 13 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.514 -1.353 19642 6279 1 13 . 1 1 23 23 ARG H H 23 7.905 7.905 7.877 0.028 19642 6280 1 13 . 1 1 24 24 ILE N N 24 121.734 121.734 122.323 -0.589 19642 6281 1 13 . 1 1 24 24 ILE HA H 24 3.892 3.892 3.822 0.070 19642 6282 1 13 . 1 1 24 24 ILE C C 24 173.297 173.297 175.698 -2.401 19642 6283 1 13 . 1 1 24 24 ILE CA C 24 61.336 61.336 62.071 -0.735 19642 6284 1 13 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.605 0.146 19642 6285 1 13 . 1 1 24 24 ILE H H 24 7.270 7.270 7.379 -0.109 19642 6286 1 13 . 1 1 25 25 ARG N N 25 125.810 125.810 127.522 -1.712 19642 6287 1 13 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.644 0.311 19642 6288 1 13 . 1 1 25 25 ARG CA C 25 52.417 52.417 54.385 -1.968 19642 6289 1 13 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.547 0.417 19642 6290 1 13 . 1 1 25 25 ARG H H 25 8.994 8.994 8.319 0.675 19642 6291 1 13 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.248 -0.188 19642 6292 1 13 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.653 1.020 19642 6293 1 13 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.099 -0.639 19642 6294 1 13 . 1 1 27 27 ARG N N 27 114.118 114.118 117.574 -3.456 19642 6295 1 13 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.126 0.114 19642 6296 1 13 . 1 1 27 27 ARG C C 27 178.376 178.376 177.358 1.018 19642 6297 1 13 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.866 -0.751 19642 6298 1 13 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.729 -0.188 19642 6299 1 13 . 1 1 27 27 ARG H H 27 8.362 8.362 8.505 -0.143 19642 6300 1 13 . 1 1 28 28 ASP N N 28 116.954 116.954 120.516 -3.562 19642 6301 1 13 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.386 0.075 19642 6302 1 13 . 1 1 28 28 ASP C C 28 180.328 180.328 178.521 1.807 19642 6303 1 13 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.183 0.344 19642 6304 1 13 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.242 1.322 19642 6305 1 13 . 1 1 28 28 ASP H H 28 7.688 7.688 7.726 -0.038 19642 6306 1 13 . 1 1 29 29 LEU N N 29 117.931 117.931 118.779 -0.848 19642 6307 1 13 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.109 0.208 19642 6308 1 13 . 1 1 29 29 LEU C C 29 178.541 178.541 178.943 -0.402 19642 6309 1 13 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.554 -0.705 19642 6310 1 13 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.411 0.361 19642 6311 1 13 . 1 1 29 29 LEU H H 29 7.173 7.173 7.763 -0.590 19642 6312 1 13 . 1 1 30 30 GLU N N 30 121.321 121.321 117.507 3.814 19642 6313 1 13 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.205 -0.417 19642 6314 1 13 . 1 1 30 30 GLU C C 30 179.497 179.497 178.672 0.825 19642 6315 1 13 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.138 1.161 19642 6316 1 13 . 1 1 30 30 GLU CB C 30 29.672 29.672 28.946 0.726 19642 6317 1 13 . 1 1 30 30 GLU H H 30 8.632 8.632 7.884 0.748 19642 6318 1 13 . 1 1 31 31 GLU N N 31 118.162 118.162 118.960 -0.798 19642 6319 1 13 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.164 -0.097 19642 6320 1 13 . 1 1 31 31 GLU C C 31 179.635 179.635 178.057 1.578 19642 6321 1 13 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.264 1.093 19642 6322 1 13 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.234 0.262 19642 6323 1 13 . 1 1 31 31 GLU H H 31 8.405 8.405 8.245 0.160 19642 6324 1 13 . 1 1 32 32 PHE N N 32 120.127 120.127 119.270 0.857 19642 6325 1 13 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.117 0.236 19642 6326 1 13 . 1 1 32 32 PHE C C 32 177.183 177.183 176.388 0.795 19642 6327 1 13 . 1 1 32 32 PHE CA C 32 60.941 60.941 59.604 1.337 19642 6328 1 13 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.583 1.339 19642 6329 1 13 . 1 1 32 32 PHE H H 32 7.767 7.767 7.435 0.332 19642 6330 1 13 . 1 1 33 33 PHE N N 33 112.879 112.879 116.305 -3.426 19642 6331 1 13 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.311 -0.060 19642 6332 1 13 . 1 1 33 33 PHE C C 33 177.304 177.304 177.134 0.170 19642 6333 1 13 . 1 1 33 33 PHE CA C 33 61.179 61.179 58.262 2.917 19642 6334 1 13 . 1 1 33 33 PHE CB C 33 38.580 38.580 39.267 -0.686 19642 6335 1 13 . 1 1 33 33 PHE H H 33 8.489 8.489 7.244 1.245 19642 6336 1 13 . 1 1 34 34 SER N N 34 115.870 115.870 115.505 0.365 19642 6337 1 13 . 1 1 34 34 SER HA H 34 5.119 5.119 4.544 0.575 19642 6338 1 13 . 1 1 34 34 SER C C 34 175.464 175.464 176.818 -1.354 19642 6339 1 13 . 1 1 34 34 SER CA C 34 61.268 61.268 60.535 0.733 19642 6340 1 13 . 1 1 34 34 SER CB C 34 62.915 62.915 62.870 0.045 19642 6341 1 13 . 1 1 34 34 SER H H 34 7.997 7.997 8.420 -0.423 19642 6342 1 13 . 1 1 35 35 THR N N 35 110.934 110.934 116.582 -5.648 19642 6343 1 13 . 1 1 35 35 THR HA H 35 4.147 4.147 4.172 -0.025 19642 6344 1 13 . 1 1 35 35 THR C C 35 176.410 176.410 175.101 1.309 19642 6345 1 13 . 1 1 35 35 THR CA C 35 63.756 63.756 64.491 -0.735 19642 6346 1 13 . 1 1 35 35 THR CB C 35 68.802 68.802 69.164 -0.362 19642 6347 1 13 . 1 1 35 35 THR H H 35 7.188 7.188 8.130 -0.942 19642 6348 1 13 . 1 1 36 36 VAL N N 36 111.644 111.644 114.808 -3.164 19642 6349 1 13 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.563 0.060 19642 6350 1 13 . 1 1 36 36 VAL C C 36 176.046 176.046 173.991 2.055 19642 6351 1 13 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.195 -0.723 19642 6352 1 13 . 1 1 36 36 VAL CB C 36 32.425 32.425 32.032 0.393 19642 6353 1 13 . 1 1 36 36 VAL H H 36 7.665 7.665 7.685 -0.020 19642 6354 1 13 . 1 1 37 37 GLY N N 37 109.343 109.343 108.499 0.844 19642 6355 1 13 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.669 -0.400 19642 6356 1 13 . 1 1 37 37 GLY H H 37 7.640 7.640 7.490 0.150 19642 6357 1 13 . 1 1 38 38 LYS N N 38 117.953 117.953 121.637 -3.684 19642 6358 1 13 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.682 -0.143 19642 6359 1 13 . 1 1 38 38 LYS CA C 38 55.724 55.724 54.799 0.925 19642 6360 1 13 . 1 1 38 38 LYS CB C 38 32.875 32.875 34.870 -1.994 19642 6361 1 13 . 1 1 38 38 LYS H H 38 8.246 8.246 8.698 -0.452 19642 6362 1 13 . 1 1 39 39 VAL N N 39 128.639 128.639 125.769 2.870 19642 6363 1 13 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.471 0.214 19642 6364 1 13 . 1 1 39 39 VAL CA C 39 62.816 62.816 62.241 0.575 19642 6365 1 13 . 1 1 39 39 VAL CB C 39 32.992 32.992 32.961 0.031 19642 6366 1 13 . 1 1 39 39 VAL H H 39 9.126 9.126 8.532 0.594 19642 6367 1 13 . 1 1 40 40 ARG N N 40 129.292 129.292 126.731 2.561 19642 6368 1 13 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.522 -0.243 19642 6369 1 13 . 1 1 40 40 ARG C C 40 175.643 175.643 175.491 0.152 19642 6370 1 13 . 1 1 40 40 ARG CA C 40 56.334 56.334 56.460 -0.126 19642 6371 1 13 . 1 1 40 40 ARG CB C 40 31.660 31.660 32.353 -0.693 19642 6372 1 13 . 1 1 40 40 ARG H H 40 9.573 9.573 8.852 0.721 19642 6373 1 13 . 1 1 41 41 ASP N N 41 116.255 116.255 114.776 1.479 19642 6374 1 13 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.719 0.121 19642 6375 1 13 . 1 1 41 41 ASP C C 41 173.674 173.674 173.489 0.185 19642 6376 1 13 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.746 -0.041 19642 6377 1 13 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.806 0.097 19642 6378 1 13 . 1 1 41 41 ASP H H 41 7.762 7.762 8.034 -0.272 19642 6379 1 13 . 1 1 42 42 VAL N N 42 122.442 122.442 119.651 2.791 19642 6380 1 13 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.364 0.271 19642 6381 1 13 . 1 1 42 42 VAL C C 42 174.714 174.714 173.659 1.055 19642 6382 1 13 . 1 1 42 42 VAL CA C 42 61.274 61.274 62.095 -0.821 19642 6383 1 13 . 1 1 42 42 VAL CB C 42 34.832 34.832 33.335 1.497 19642 6384 1 13 . 1 1 42 42 VAL H H 42 7.939 7.939 8.428 -0.489 19642 6385 1 13 . 1 1 43 43 ARG N N 43 126.687 126.687 129.464 -2.777 19642 6386 1 13 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.833 -0.068 19642 6387 1 13 . 1 1 43 43 ARG C C 43 175.278 175.278 174.946 0.332 19642 6388 1 13 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.762 -0.384 19642 6389 1 13 . 1 1 43 43 ARG CB C 43 32.434 32.434 32.736 -0.302 19642 6390 1 13 . 1 1 43 43 ARG H H 43 9.171 9.171 8.618 0.553 19642 6391 1 13 . 1 1 44 44 MET N N 44 123.092 123.092 118.744 4.348 19642 6392 1 13 . 1 1 44 44 MET HA H 44 4.906 4.906 4.947 -0.041 19642 6393 1 13 . 1 1 44 44 MET C C 44 176.360 176.360 175.226 1.134 19642 6394 1 13 . 1 1 44 44 MET CA C 44 53.152 53.152 54.557 -1.405 19642 6395 1 13 . 1 1 44 44 MET CB C 44 32.940 32.940 36.405 -3.465 19642 6396 1 13 . 1 1 44 44 MET H H 44 8.939 8.939 8.723 0.216 19642 6397 1 13 . 1 1 45 45 ILE N N 45 124.146 124.146 122.457 1.689 19642 6398 1 13 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.375 0.085 19642 6399 1 13 . 1 1 45 45 ILE C C 45 175.961 175.961 175.487 0.474 19642 6400 1 13 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.670 -0.723 19642 6401 1 13 . 1 1 45 45 ILE CB C 45 38.193 38.193 36.035 2.158 19642 6402 1 13 . 1 1 45 45 ILE H H 45 8.319 8.319 8.576 -0.257 19642 6403 1 13 . 1 1 46 46 SER N N 46 121.541 121.541 122.858 -1.317 19642 6404 1 13 . 1 1 46 46 SER HA H 46 4.709 4.709 4.390 0.319 19642 6405 1 13 . 1 1 46 46 SER C C 46 174.061 174.061 173.762 0.299 19642 6406 1 13 . 1 1 46 46 SER CA C 46 57.381 57.381 58.764 -1.383 19642 6407 1 13 . 1 1 46 46 SER CB C 46 64.273 64.273 62.803 1.470 19642 6408 1 13 . 1 1 46 46 SER H H 46 8.653 8.653 8.254 0.399 19642 6409 1 13 . 1 1 47 47 ASP N N 47 123.132 123.132 126.099 -2.967 19642 6410 1 13 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.837 -0.179 19642 6411 1 13 . 1 1 47 47 ASP C C 47 177.203 177.203 176.533 0.670 19642 6412 1 13 . 1 1 47 47 ASP CA C 47 53.662 53.662 52.530 1.132 19642 6413 1 13 . 1 1 47 47 ASP CB C 47 41.920 41.920 42.079 -0.159 19642 6414 1 13 . 1 1 47 47 ASP H H 47 8.598 8.598 7.820 0.778 19642 6415 1 13 . 1 1 48 48 ARG N N 48 122.881 122.881 118.689 4.192 19642 6416 1 13 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.114 0.093 19642 6417 1 13 . 1 1 48 48 ARG C C 48 177.090 177.090 176.745 0.345 19642 6418 1 13 . 1 1 48 48 ARG CA C 48 57.206 57.206 58.323 -1.117 19642 6419 1 13 . 1 1 48 48 ARG CB C 48 29.775 29.775 30.597 -0.822 19642 6420 1 13 . 1 1 48 48 ARG H H 48 8.648 8.648 8.717 -0.069 19642 6421 1 13 . 1 1 49 49 ASN N N 49 117.245 117.245 112.390 4.855 19642 6422 1 13 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.668 0.078 19642 6423 1 13 . 1 1 49 49 ASN C C 49 175.822 175.822 175.413 0.409 19642 6424 1 13 . 1 1 49 49 ASN CA C 49 53.592 53.592 54.106 -0.514 19642 6425 1 13 . 1 1 49 49 ASN CB C 49 38.910 38.910 39.452 -0.542 19642 6426 1 13 . 1 1 49 49 ASN H H 49 8.502 8.502 8.664 -0.162 19642 6427 1 13 . 1 1 50 50 SER N N 50 114.891 114.891 116.270 -1.379 19642 6428 1 13 . 1 1 50 50 SER HA H 50 4.429 4.429 4.032 0.397 19642 6429 1 13 . 1 1 50 50 SER C C 50 175.339 175.339 174.701 0.638 19642 6430 1 13 . 1 1 50 50 SER CA C 50 58.396 58.396 61.244 -2.848 19642 6431 1 13 . 1 1 50 50 SER CB C 50 63.681 63.681 62.727 0.954 19642 6432 1 13 . 1 1 50 50 SER H H 50 8.158 8.158 8.591 -0.433 19642 6433 1 13 . 1 1 51 51 ARG N N 51 120.957 120.957 120.062 0.895 19642 6434 1 13 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.445 -0.156 19642 6435 1 13 . 1 1 51 51 ARG C C 51 176.845 176.845 175.852 0.993 19642 6436 1 13 . 1 1 51 51 ARG CA C 51 56.672 56.672 55.611 1.062 19642 6437 1 13 . 1 1 51 51 ARG CB C 51 29.620 29.620 31.862 -2.242 19642 6438 1 13 . 1 1 51 51 ARG H H 51 8.451 8.451 8.219 0.232 19642 6439 1 13 . 1 1 52 52 ARG N N 52 119.405 119.405 120.018 -0.613 19642 6440 1 13 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.531 -0.111 19642 6441 1 13 . 1 1 52 52 ARG CA C 52 55.765 55.765 55.884 -0.119 19642 6442 1 13 . 1 1 52 52 ARG CB C 52 30.875 30.875 30.631 0.244 19642 6443 1 13 . 1 1 52 52 ARG H H 52 8.159 8.159 8.351 -0.192 19642 6444 1 13 . 1 1 53 53 SER N N 53 116.328 116.328 114.392 1.936 19642 6445 1 13 . 1 1 53 53 SER HA H 53 4.492 4.492 4.243 0.249 19642 6446 1 13 . 1 1 53 53 SER CA C 53 58.142 58.142 59.937 -1.795 19642 6447 1 13 . 1 1 53 53 SER CB C 53 63.447 63.447 62.939 0.508 19642 6448 1 13 . 1 1 53 53 SER H H 53 8.370 8.370 8.362 0.008 19642 6449 1 13 . 1 1 54 54 LYS N N 54 122.099 122.099 116.563 5.536 19642 6450 1 13 . 1 1 54 54 LYS HA H 54 4.499 4.499 3.947 0.552 19642 6451 1 13 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.098 -1.535 19642 6452 1 13 . 1 1 54 54 LYS CB C 54 33.079 33.079 31.292 1.787 19642 6453 1 13 . 1 1 54 54 LYS H H 54 8.374 8.374 8.567 -0.193 19642 6454 1 13 . 1 1 55 55 GLY N N 55 109.513 109.513 104.883 4.630 19642 6455 1 13 . 1 1 55 55 GLY C C 55 172.962 172.962 172.048 0.914 19642 6456 1 13 . 1 1 55 55 GLY CA C 55 45.894 45.894 45.284 0.610 19642 6457 1 13 . 1 1 55 55 GLY H H 55 8.592 8.592 7.666 0.926 19642 6458 1 13 . 1 1 56 56 ILE N N 56 114.180 114.180 118.816 -4.636 19642 6459 1 13 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.322 -0.310 19642 6460 1 13 . 1 1 56 56 ILE C C 56 175.172 175.172 173.600 1.572 19642 6461 1 13 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.342 -0.611 19642 6462 1 13 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.849 0.313 19642 6463 1 13 . 1 1 56 56 ILE H H 56 7.618 7.618 7.965 -0.347 19642 6464 1 13 . 1 1 57 57 ALA N N 57 121.556 121.556 126.148 -4.592 19642 6465 1 13 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.134 -0.014 19642 6466 1 13 . 1 1 57 57 ALA C C 57 175.094 175.094 175.097 -0.003 19642 6467 1 13 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.209 -0.510 19642 6468 1 13 . 1 1 57 57 ALA CB C 57 24.170 24.170 23.192 0.978 19642 6469 1 13 . 1 1 57 57 ALA H H 57 8.308 8.308 8.576 -0.268 19642 6470 1 13 . 1 1 58 58 TYR N N 58 118.387 118.387 118.775 -0.388 19642 6471 1 13 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.146 0.335 19642 6472 1 13 . 1 1 58 58 TYR C C 58 175.537 175.537 175.126 0.411 19642 6473 1 13 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.127 0.387 19642 6474 1 13 . 1 1 58 58 TYR CB C 58 40.607 40.607 39.907 0.699 19642 6475 1 13 . 1 1 58 58 TYR H H 58 8.971 8.971 9.399 -0.428 19642 6476 1 13 . 1 1 59 59 VAL N N 59 122.978 122.978 124.539 -1.561 19642 6477 1 13 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.290 0.086 19642 6478 1 13 . 1 1 59 59 VAL C C 59 172.631 172.631 175.089 -2.458 19642 6479 1 13 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.458 -0.241 19642 6480 1 13 . 1 1 59 59 VAL CB C 59 33.575 33.575 32.368 1.207 19642 6481 1 13 . 1 1 59 59 VAL H H 59 8.828 8.828 8.669 0.159 19642 6482 1 13 . 1 1 60 60 GLU N N 60 128.557 128.557 128.662 -0.105 19642 6483 1 13 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.929 -0.078 19642 6484 1 13 . 1 1 60 60 GLU C C 60 176.210 176.210 175.533 0.677 19642 6485 1 13 . 1 1 60 60 GLU CA C 60 53.842 53.842 55.110 -1.268 19642 6486 1 13 . 1 1 60 60 GLU CB C 60 33.103 33.103 31.184 1.919 19642 6487 1 13 . 1 1 60 60 GLU H H 60 8.774 8.774 8.648 0.126 19642 6488 1 13 . 1 1 61 61 PHE N N 61 126.659 126.659 125.601 1.058 19642 6489 1 13 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.444 0.472 19642 6490 1 13 . 1 1 61 61 PHE C C 61 176.011 176.011 175.962 0.049 19642 6491 1 13 . 1 1 61 61 PHE CA C 61 58.586 58.586 59.221 -0.635 19642 6492 1 13 . 1 1 61 61 PHE CB C 61 41.038 41.038 40.983 0.055 19642 6493 1 13 . 1 1 61 61 PHE H H 61 9.340 9.340 9.171 0.169 19642 6494 1 13 . 1 1 62 62 VAL N N 62 118.280 118.280 119.738 -1.458 19642 6495 1 13 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.990 -0.247 19642 6496 1 13 . 1 1 62 62 VAL C C 62 176.097 176.097 175.546 0.551 19642 6497 1 13 . 1 1 62 62 VAL CA C 62 65.785 65.785 64.130 1.655 19642 6498 1 13 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.486 0.325 19642 6499 1 13 . 1 1 62 62 VAL H H 62 8.184 8.184 8.384 -0.200 19642 6500 1 13 . 1 1 63 63 ASP N N 63 118.269 118.269 116.769 1.500 19642 6501 1 13 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.911 0.281 19642 6502 1 13 . 1 1 63 63 ASP C C 63 176.648 176.648 176.314 0.334 19642 6503 1 13 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.356 0.283 19642 6504 1 13 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.873 0.696 19642 6505 1 13 . 1 1 63 63 ASP H H 63 8.708 8.708 7.939 0.769 19642 6506 1 13 . 1 1 64 64 VAL N N 64 121.961 121.961 121.965 -0.004 19642 6507 1 13 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.795 0.016 19642 6508 1 13 . 1 1 64 64 VAL C C 64 178.439 178.439 177.125 1.314 19642 6509 1 13 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.492 0.327 19642 6510 1 13 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.431 -0.381 19642 6511 1 13 . 1 1 64 64 VAL H H 64 8.609 8.609 8.616 -0.007 19642 6512 1 13 . 1 1 65 65 SER N N 65 115.305 115.305 114.910 0.395 19642 6513 1 13 . 1 1 65 65 SER HA H 65 4.143 4.143 4.127 0.016 19642 6514 1 13 . 1 1 65 65 SER C C 65 176.285 176.285 175.831 0.454 19642 6515 1 13 . 1 1 65 65 SER CA C 65 60.158 60.158 61.867 -1.710 19642 6516 1 13 . 1 1 65 65 SER CB C 65 62.066 62.066 62.653 -0.587 19642 6517 1 13 . 1 1 65 65 SER H H 65 8.492 8.492 8.303 0.189 19642 6518 1 13 . 1 1 66 66 SER N N 66 116.053 116.053 116.267 -0.214 19642 6519 1 13 . 1 1 66 66 SER HA H 66 4.024 4.024 4.204 -0.180 19642 6520 1 13 . 1 1 66 66 SER C C 66 174.528 174.528 174.996 -0.468 19642 6521 1 13 . 1 1 66 66 SER CA C 66 60.749 60.749 59.491 1.258 19642 6522 1 13 . 1 1 66 66 SER CB C 66 63.063 63.063 62.337 0.726 19642 6523 1 13 . 1 1 66 66 SER H H 66 7.414 7.414 7.648 -0.234 19642 6524 1 13 . 1 1 67 67 VAL N N 67 119.830 119.830 122.530 -2.700 19642 6525 1 13 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.527 -0.207 19642 6526 1 13 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.154 0.884 19642 6527 1 13 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.509 -0.311 19642 6528 1 13 . 1 1 67 67 VAL H H 67 7.611 7.611 7.463 0.148 19642 6529 1 13 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.209 0.056 19642 6530 1 13 . 1 1 68 68 PRO C C 68 180.457 180.457 178.410 2.047 19642 6531 1 13 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.470 -0.398 19642 6532 1 13 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.397 -0.659 19642 6533 1 13 . 1 1 69 69 LEU N N 69 115.334 115.334 119.277 -3.943 19642 6534 1 13 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.035 0.064 19642 6535 1 13 . 1 1 69 69 LEU C C 69 179.450 179.450 178.711 0.739 19642 6536 1 13 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.183 -0.741 19642 6537 1 13 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.729 -0.607 19642 6538 1 13 . 1 1 69 69 LEU H H 69 6.284 6.284 7.016 -0.732 19642 6539 1 13 . 1 1 70 70 ALA N N 70 122.703 122.703 122.208 0.495 19642 6540 1 13 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.096 0.079 19642 6541 1 13 . 1 1 70 70 ALA C C 70 180.611 180.611 179.915 0.696 19642 6542 1 13 . 1 1 70 70 ALA CA C 70 54.895 54.895 55.130 -0.235 19642 6543 1 13 . 1 1 70 70 ALA CB C 70 19.544 19.544 18.144 1.400 19642 6544 1 13 . 1 1 70 70 ALA H H 70 8.342 8.342 7.724 0.618 19642 6545 1 13 . 1 1 71 71 ILE N N 71 118.692 118.692 116.855 1.837 19642 6546 1 13 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.783 0.482 19642 6547 1 13 . 1 1 71 71 ILE C C 71 179.971 179.971 178.152 1.819 19642 6548 1 13 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.221 0.896 19642 6549 1 13 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.394 1.206 19642 6550 1 13 . 1 1 71 71 ILE H H 71 8.255 8.255 7.478 0.777 19642 6551 1 13 . 1 1 72 72 GLY N N 72 106.417 106.417 107.368 -0.951 19642 6552 1 13 . 1 1 72 72 GLY C C 72 174.590 174.590 174.719 -0.129 19642 6553 1 13 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.659 -0.768 19642 6554 1 13 . 1 1 72 72 GLY H H 72 7.635 7.635 7.965 -0.330 19642 6555 1 13 . 1 1 73 73 LEU N N 73 120.383 120.383 118.902 1.481 19642 6556 1 13 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.768 -0.357 19642 6557 1 13 . 1 1 73 73 LEU C C 73 176.338 176.338 177.932 -1.594 19642 6558 1 13 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.000 0.949 19642 6559 1 13 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.579 -1.986 19642 6560 1 13 . 1 1 73 73 LEU H H 73 7.767 7.767 7.665 0.102 19642 6561 1 13 . 1 1 74 74 THR N N 74 115.157 115.157 117.871 -2.714 19642 6562 1 13 . 1 1 74 74 THR HA H 74 4.060 4.060 4.075 -0.015 19642 6563 1 13 . 1 1 74 74 THR C C 74 175.656 175.656 176.245 -0.589 19642 6564 1 13 . 1 1 74 74 THR CA C 74 66.177 66.177 66.942 -0.765 19642 6565 1 13 . 1 1 74 74 THR CB C 74 69.821 69.821 68.962 0.859 19642 6566 1 13 . 1 1 74 74 THR H H 74 7.731 7.731 7.483 0.248 19642 6567 1 13 . 1 1 75 75 GLY N N 75 117.587 117.587 107.272 10.315 19642 6568 1 13 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.590 0.035 19642 6569 1 13 . 1 1 75 75 GLY H H 75 9.519 9.519 8.386 1.133 19642 6570 1 13 . 1 1 76 76 GLN N N 76 120.027 120.027 119.825 0.202 19642 6571 1 13 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.326 -0.012 19642 6572 1 13 . 1 1 76 76 GLN C C 76 175.015 175.015 174.681 0.334 19642 6573 1 13 . 1 1 76 76 GLN CA C 76 55.819 55.819 56.149 -0.330 19642 6574 1 13 . 1 1 76 76 GLN CB C 76 28.220 28.220 29.985 -1.765 19642 6575 1 13 . 1 1 76 76 GLN H H 76 8.319 8.319 7.850 0.469 19642 6576 1 13 . 1 1 77 77 ARG N N 77 118.759 118.759 116.437 2.322 19642 6577 1 13 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.489 -0.358 19642 6578 1 13 . 1 1 77 77 ARG C C 77 176.209 176.209 175.002 1.207 19642 6579 1 13 . 1 1 77 77 ARG CA C 77 56.091 56.091 54.881 1.210 19642 6580 1 13 . 1 1 77 77 ARG CB C 77 31.364 31.364 32.655 -1.291 19642 6581 1 13 . 1 1 77 77 ARG H H 77 8.544 8.544 8.371 0.173 19642 6582 1 13 . 1 1 78 78 VAL N N 78 123.886 123.886 125.143 -1.257 19642 6583 1 13 . 1 1 78 78 VAL HA H 78 3.835 3.835 4.028 -0.193 19642 6584 1 13 . 1 1 78 78 VAL C C 78 176.570 176.570 175.945 0.625 19642 6585 1 13 . 1 1 78 78 VAL CA C 78 61.470 61.470 61.972 -0.502 19642 6586 1 13 . 1 1 78 78 VAL CB C 78 32.202 32.202 30.189 2.013 19642 6587 1 13 . 1 1 78 78 VAL H H 78 8.015 8.015 8.349 -0.334 19642 6588 1 13 . 1 1 79 79 LEU N N 79 129.331 129.331 127.405 1.926 19642 6589 1 13 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.972 -0.140 19642 6590 1 13 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.434 0.339 19642 6591 1 13 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.955 -0.414 19642 6592 1 13 . 1 1 79 79 LEU H H 79 9.570 9.570 8.543 1.027 19642 6593 1 13 . 1 1 80 80 GLY N N 80 100.301 100.301 103.038 -2.737 19642 6594 1 13 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.702 0.527 19642 6595 1 13 . 1 1 80 80 GLY H H 80 8.316 8.316 8.030 0.286 19642 6596 1 13 . 1 1 81 81 VAL N N 81 122.763 122.763 121.495 1.268 19642 6597 1 13 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.445 0.192 19642 6598 1 13 . 1 1 81 81 VAL CA C 81 59.355 59.355 59.032 0.323 19642 6599 1 13 . 1 1 81 81 VAL CB C 81 34.897 34.897 32.408 2.489 19642 6600 1 13 . 1 1 81 81 VAL H H 81 7.632 7.632 7.525 0.107 19642 6601 1 13 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.628 -0.296 19642 6602 1 13 . 1 1 82 82 PRO C C 82 175.005 175.005 175.558 -0.553 19642 6603 1 13 . 1 1 82 82 PRO CA C 82 62.503 62.503 61.826 0.677 19642 6604 1 13 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.666 -1.386 19642 6605 1 13 . 1 1 83 83 ILE N N 83 126.022 126.022 117.579 8.443 19642 6606 1 13 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.396 0.230 19642 6607 1 13 . 1 1 83 83 ILE C C 83 175.679 175.679 174.395 1.284 19642 6608 1 13 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.447 2.522 19642 6609 1 13 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.480 -0.567 19642 6610 1 13 . 1 1 83 83 ILE H H 83 8.391 8.391 7.651 0.740 19642 6611 1 13 . 1 1 84 84 ILE N N 84 125.284 125.284 120.039 5.245 19642 6612 1 13 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.435 -0.002 19642 6613 1 13 . 1 1 84 84 ILE C C 84 174.418 174.418 177.296 -2.878 19642 6614 1 13 . 1 1 84 84 ILE CA C 84 61.313 61.313 58.680 2.633 19642 6615 1 13 . 1 1 84 84 ILE CB C 84 39.900 39.900 39.678 0.222 19642 6616 1 13 . 1 1 84 84 ILE H H 84 7.842 7.842 8.399 -0.557 19642 6617 1 13 . 1 1 85 85 VAL N N 85 128.143 128.143 126.666 1.477 19642 6618 1 13 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.649 -0.032 19642 6619 1 13 . 1 1 85 85 VAL CA C 85 64.887 64.887 65.311 -0.424 19642 6620 1 13 . 1 1 85 85 VAL CB C 85 34.069 34.069 32.016 2.053 19642 6621 1 13 . 1 1 85 85 VAL H H 85 8.400 8.400 8.389 0.011 19642 6622 1 13 . 1 1 86 86 GLN N N 86 122.965 122.965 117.905 5.060 19642 6623 1 13 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.148 0.755 19642 6624 1 13 . 1 1 86 86 GLN C C 86 175.590 175.590 176.537 -0.947 19642 6625 1 13 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.453 3.304 19642 6626 1 13 . 1 1 86 86 GLN CB C 86 34.013 34.013 29.304 4.709 19642 6627 1 13 . 1 1 86 86 GLN H H 86 9.242 9.242 7.785 1.457 19642 6628 1 13 . 1 1 87 87 ALA N N 87 123.174 123.174 120.694 2.480 19642 6629 1 13 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.163 0.193 19642 6630 1 13 . 1 1 87 87 ALA C C 87 178.095 178.095 176.337 1.758 19642 6631 1 13 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.403 0.422 19642 6632 1 13 . 1 1 87 87 ALA CB C 87 18.534 18.534 17.518 1.016 19642 6633 1 13 . 1 1 87 87 ALA H H 87 8.907 8.907 7.867 1.040 19642 6634 1 13 . 1 1 88 88 SER N N 88 114.952 114.952 111.850 3.102 19642 6635 1 13 . 1 1 88 88 SER HA H 88 4.294 4.294 4.185 0.109 19642 6636 1 13 . 1 1 88 88 SER C C 88 175.470 175.470 174.153 1.317 19642 6637 1 13 . 1 1 88 88 SER CA C 88 59.617 59.617 59.863 -0.246 19642 6638 1 13 . 1 1 88 88 SER CB C 88 63.409 63.409 63.411 -0.002 19642 6639 1 13 . 1 1 88 88 SER H H 88 8.343 8.343 8.608 -0.265 19642 6640 1 13 . 1 1 89 89 GLN N N 89 121.151 121.151 122.306 -1.155 19642 6641 1 13 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.185 0.128 19642 6642 1 13 . 1 1 89 89 GLN C C 89 175.838 175.838 175.223 0.615 19642 6643 1 13 . 1 1 89 89 GLN CA C 89 55.286 55.286 57.255 -1.969 19642 6644 1 13 . 1 1 89 89 GLN CB C 89 29.333 29.333 28.728 0.605 19642 6645 1 13 . 1 1 89 89 GLN H H 89 8.348 8.348 8.552 -0.204 19642 6646 1 13 . 1 1 90 90 ALA N N 90 124.942 124.942 124.920 0.022 19642 6647 1 13 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.626 -0.423 19642 6648 1 13 . 1 1 90 90 ALA C C 90 178.381 178.381 176.353 2.028 19642 6649 1 13 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.595 1.167 19642 6650 1 13 . 1 1 90 90 ALA CB C 90 19.071 19.071 20.302 -1.231 19642 6651 1 13 . 1 1 90 90 ALA H H 90 8.245 8.245 8.630 -0.385 19642 6652 1 13 . 1 1 91 91 GLU N N 91 119.604 119.604 116.280 3.324 19642 6653 1 13 . 1 1 91 91 GLU HA H 91 4.153 4.153 3.896 0.257 19642 6654 1 13 . 1 1 91 91 GLU C C 91 176.986 176.986 175.189 1.797 19642 6655 1 13 . 1 1 91 91 GLU CA C 91 56.535 56.535 57.671 -1.136 19642 6656 1 13 . 1 1 91 91 GLU CB C 91 30.029 30.029 27.901 2.128 19642 6657 1 13 . 1 1 91 91 GLU H H 91 8.414 8.414 8.877 -0.463 19642 6658 1 13 . 1 1 92 92 LYS N N 92 121.284 121.284 118.458 2.826 19642 6659 1 13 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.409 -0.119 19642 6660 1 13 . 1 1 92 92 LYS C C 92 176.699 176.699 176.324 0.375 19642 6661 1 13 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.279 0.763 19642 6662 1 13 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.341 -0.636 19642 6663 1 13 . 1 1 92 92 LYS H H 92 8.212 8.212 8.191 0.021 19642 6664 1 13 . 1 1 93 93 ASN N N 93 119.221 119.221 118.801 0.420 19642 6665 1 13 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.822 -0.122 19642 6666 1 13 . 1 1 93 93 ASN C C 93 174.424 174.424 174.017 0.407 19642 6667 1 13 . 1 1 93 93 ASN CA C 93 53.110 53.110 52.937 0.173 19642 6668 1 13 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.312 0.414 19642 6669 1 13 . 1 1 93 93 ASN H H 93 8.370 8.370 8.540 -0.170 19642 6670 1 14 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.321 0.372 19642 6671 1 14 . 1 1 2 2 HIS C C 2 175.244 175.244 173.764 1.480 19642 6672 1 14 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.634 -0.785 19642 6673 1 14 . 1 1 2 2 HIS CB C 2 30.165 30.165 29.461 0.704 19642 6674 1 14 . 1 1 3 3 MET HA H 3 4.464 4.464 4.313 0.151 19642 6675 1 14 . 1 1 3 3 MET C C 3 175.896 175.896 175.595 0.301 19642 6676 1 14 . 1 1 3 3 MET CA C 3 55.188 55.188 54.969 0.219 19642 6677 1 14 . 1 1 3 3 MET CB C 3 32.736 32.736 34.395 -1.659 19642 6678 1 14 . 1 1 4 4 ASN N N 4 120.610 120.610 118.625 1.985 19642 6679 1 14 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.461 0.291 19642 6680 1 14 . 1 1 4 4 ASN C C 4 175.033 175.033 173.267 1.766 19642 6681 1 14 . 1 1 4 4 ASN CA C 4 52.728 52.728 54.005 -1.277 19642 6682 1 14 . 1 1 4 4 ASN CB C 4 38.604 38.604 38.540 0.064 19642 6683 1 14 . 1 1 4 4 ASN H H 4 8.564 8.564 8.305 0.259 19642 6684 1 14 . 1 1 5 5 LEU N N 5 122.314 122.314 121.425 0.889 19642 6685 1 14 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.632 -0.022 19642 6686 1 14 . 1 1 5 5 LEU C C 5 178.178 178.178 175.917 2.261 19642 6687 1 14 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.053 0.252 19642 6688 1 14 . 1 1 5 5 LEU CB C 5 43.343 43.343 44.768 -1.425 19642 6689 1 14 . 1 1 5 5 LEU H H 5 8.046 8.046 8.323 -0.277 19642 6690 1 14 . 1 1 6 6 THR N N 6 115.483 115.483 114.727 0.756 19642 6691 1 14 . 1 1 6 6 THR HA H 6 4.626 4.626 4.556 0.070 19642 6692 1 14 . 1 1 6 6 THR CA C 6 60.039 60.039 60.192 -0.153 19642 6693 1 14 . 1 1 6 6 THR CB C 6 68.119 68.119 68.292 -0.173 19642 6694 1 14 . 1 1 6 6 THR H H 6 8.948 8.948 8.121 0.827 19642 6695 1 14 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.188 -0.045 19642 6696 1 14 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.447 0.126 19642 6697 1 14 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.782 -0.142 19642 6698 1 14 . 1 1 8 8 GLU N N 8 116.691 116.691 116.593 0.098 19642 6699 1 14 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.177 -0.066 19642 6700 1 14 . 1 1 8 8 GLU CA C 8 59.572 59.572 58.265 1.307 19642 6701 1 14 . 1 1 8 8 GLU CB C 8 28.889 28.889 28.904 -0.015 19642 6702 1 14 . 1 1 8 8 GLU H H 8 8.753 8.753 8.657 0.096 19642 6703 1 14 . 1 1 9 9 GLU N N 9 121.235 121.235 119.908 1.327 19642 6704 1 14 . 1 1 9 9 GLU HA H 9 4.041 4.041 3.950 0.091 19642 6705 1 14 . 1 1 9 9 GLU C C 9 180.194 180.194 178.141 2.053 19642 6706 1 14 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.577 -1.050 19642 6707 1 14 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.624 0.942 19642 6708 1 14 . 1 1 9 9 GLU H H 9 7.823 7.823 7.749 0.074 19642 6709 1 14 . 1 1 10 10 ARG N N 10 120.373 120.373 115.940 4.433 19642 6710 1 14 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.205 -0.318 19642 6711 1 14 . 1 1 10 10 ARG C C 10 180.714 180.714 178.005 2.709 19642 6712 1 14 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.201 1.584 19642 6713 1 14 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.184 -0.313 19642 6714 1 14 . 1 1 10 10 ARG H H 10 8.363 8.363 8.087 0.276 19642 6715 1 14 . 1 1 11 11 ASP N N 11 123.103 123.103 119.453 3.650 19642 6716 1 14 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.591 -0.277 19642 6717 1 14 . 1 1 11 11 ASP C C 11 179.081 179.081 177.400 1.681 19642 6718 1 14 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.507 1.176 19642 6719 1 14 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.340 -1.318 19642 6720 1 14 . 1 1 11 11 ASP H H 11 8.709 8.709 7.895 0.814 19642 6721 1 14 . 1 1 12 12 ALA N N 12 119.926 119.926 121.932 -2.006 19642 6722 1 14 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.318 -0.075 19642 6723 1 14 . 1 1 12 12 ALA C C 12 177.593 177.593 178.546 -0.953 19642 6724 1 14 . 1 1 12 12 ALA CA C 12 53.808 53.808 52.925 0.882 19642 6725 1 14 . 1 1 12 12 ALA CB C 12 18.341 18.341 18.561 -0.220 19642 6726 1 14 . 1 1 12 12 ALA H H 12 7.615 7.615 8.110 -0.495 19642 6727 1 14 . 1 1 13 13 ARG N N 13 113.504 113.504 116.500 -2.996 19642 6728 1 14 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.149 0.278 19642 6729 1 14 . 1 1 13 13 ARG C C 13 174.905 174.905 175.709 -0.804 19642 6730 1 14 . 1 1 13 13 ARG CA C 13 55.588 55.588 57.529 -1.941 19642 6731 1 14 . 1 1 13 13 ARG CB C 13 30.789 30.789 30.374 0.415 19642 6732 1 14 . 1 1 13 13 ARG H H 13 7.204 7.204 7.915 -0.711 19642 6733 1 14 . 1 1 14 14 THR N N 14 117.103 117.103 113.368 3.735 19642 6734 1 14 . 1 1 14 14 THR HA H 14 5.589 5.589 4.993 0.596 19642 6735 1 14 . 1 1 14 14 THR C C 14 174.610 174.610 173.759 0.851 19642 6736 1 14 . 1 1 14 14 THR CA C 14 61.993 61.993 62.442 -0.449 19642 6737 1 14 . 1 1 14 14 THR CB C 14 70.185 70.185 70.972 -0.787 19642 6738 1 14 . 1 1 14 14 THR H H 14 7.685 7.685 7.521 0.164 19642 6739 1 14 . 1 1 15 15 VAL N N 15 117.127 117.127 120.510 -3.383 19642 6740 1 14 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.654 0.426 19642 6741 1 14 . 1 1 15 15 VAL C C 15 173.786 173.786 174.397 -0.611 19642 6742 1 14 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.291 -1.706 19642 6743 1 14 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.003 0.820 19642 6744 1 14 . 1 1 15 15 VAL H H 15 9.154 9.154 8.773 0.381 19642 6745 1 14 . 1 1 16 16 PHE N N 16 122.697 122.697 129.838 -7.141 19642 6746 1 14 . 1 1 16 16 PHE HA H 16 5.183 5.183 5.001 0.182 19642 6747 1 14 . 1 1 16 16 PHE C C 16 174.520 174.520 175.169 -0.649 19642 6748 1 14 . 1 1 16 16 PHE CA C 16 54.981 54.981 56.062 -1.081 19642 6749 1 14 . 1 1 16 16 PHE CB C 16 42.266 42.266 38.634 3.632 19642 6750 1 14 . 1 1 16 16 PHE H H 16 9.359 9.359 9.011 0.348 19642 6751 1 14 . 1 1 17 17 CYS N N 17 122.356 122.356 128.535 -6.179 19642 6752 1 14 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.504 1.063 19642 6753 1 14 . 1 1 17 17 CYS C C 17 173.018 173.018 173.493 -0.475 19642 6754 1 14 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.367 -2.659 19642 6755 1 14 . 1 1 17 17 CYS CB C 17 30.776 30.776 29.010 1.766 19642 6756 1 14 . 1 1 17 17 CYS H H 17 8.931 8.931 9.035 -0.104 19642 6757 1 14 . 1 1 18 18 MET N N 18 117.884 117.884 121.358 -3.474 19642 6758 1 14 . 1 1 18 18 MET HA H 18 4.846 4.846 4.728 0.118 19642 6759 1 14 . 1 1 18 18 MET C C 18 173.706 173.706 175.191 -1.485 19642 6760 1 14 . 1 1 18 18 MET CA C 18 53.623 53.623 54.193 -0.570 19642 6761 1 14 . 1 1 18 18 MET CB C 18 31.772 31.772 36.081 -4.309 19642 6762 1 14 . 1 1 18 18 MET H H 18 8.818 8.818 8.336 0.482 19642 6763 1 14 . 1 1 19 19 GLN N N 19 115.022 115.022 117.110 -2.088 19642 6764 1 14 . 1 1 19 19 GLN HA H 19 3.698 3.698 3.911 -0.213 19642 6765 1 14 . 1 1 19 19 GLN C C 19 173.403 173.403 174.014 -0.611 19642 6766 1 14 . 1 1 19 19 GLN CA C 19 57.009 57.009 56.785 0.224 19642 6767 1 14 . 1 1 19 19 GLN CB C 19 27.922 27.922 28.052 -0.130 19642 6768 1 14 . 1 1 19 19 GLN H H 19 8.463 8.463 8.573 -0.110 19642 6769 1 14 . 1 1 20 20 LEU N N 20 116.032 116.032 118.945 -2.913 19642 6770 1 14 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.318 -0.064 19642 6771 1 14 . 1 1 20 20 LEU C C 20 177.827 177.827 176.986 0.841 19642 6772 1 14 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.881 -2.286 19642 6773 1 14 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.766 0.492 19642 6774 1 14 . 1 1 20 20 LEU H H 20 7.685 7.685 7.238 0.447 19642 6775 1 14 . 1 1 21 21 ALA N N 21 125.644 125.644 122.666 2.978 19642 6776 1 14 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.447 -0.302 19642 6777 1 14 . 1 1 21 21 ALA C C 21 178.868 178.868 177.163 1.705 19642 6778 1 14 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.548 0.113 19642 6779 1 14 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.909 -1.555 19642 6780 1 14 . 1 1 21 21 ALA H H 21 9.473 9.473 8.242 1.231 19642 6781 1 14 . 1 1 22 22 ALA N N 22 124.495 124.495 121.168 3.327 19642 6782 1 14 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.269 -0.160 19642 6783 1 14 . 1 1 22 22 ALA C C 22 179.705 179.705 177.448 2.257 19642 6784 1 14 . 1 1 22 22 ALA CA C 22 54.560 54.560 53.014 1.546 19642 6785 1 14 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.763 -0.405 19642 6786 1 14 . 1 1 22 22 ALA H H 22 8.583 8.583 8.240 0.343 19642 6787 1 14 . 1 1 23 23 ARG N N 23 111.716 111.716 118.785 -7.069 19642 6788 1 14 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.695 -0.327 19642 6789 1 14 . 1 1 23 23 ARG C C 23 176.243 176.243 174.270 1.973 19642 6790 1 14 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.631 -0.495 19642 6791 1 14 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.430 -1.268 19642 6792 1 14 . 1 1 23 23 ARG H H 23 7.905 7.905 8.108 -0.203 19642 6793 1 14 . 1 1 24 24 ILE N N 24 121.734 121.734 120.400 1.334 19642 6794 1 14 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.273 -0.381 19642 6795 1 14 . 1 1 24 24 ILE C C 24 173.297 173.297 174.184 -0.887 19642 6796 1 14 . 1 1 24 24 ILE CA C 24 61.336 61.336 59.134 2.202 19642 6797 1 14 . 1 1 24 24 ILE CB C 24 38.751 38.751 41.784 -3.033 19642 6798 1 14 . 1 1 24 24 ILE H H 24 7.270 7.270 8.297 -1.027 19642 6799 1 14 . 1 1 25 25 ARG N N 25 125.810 125.810 123.060 2.750 19642 6800 1 14 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.789 0.166 19642 6801 1 14 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.245 -0.828 19642 6802 1 14 . 1 1 25 25 ARG CB C 25 30.964 30.964 31.477 -0.513 19642 6803 1 14 . 1 1 25 25 ARG H H 25 8.994 8.994 8.342 0.652 19642 6804 1 14 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.230 -0.170 19642 6805 1 14 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.466 1.206 19642 6806 1 14 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.190 -0.730 19642 6807 1 14 . 1 1 27 27 ARG N N 27 114.118 114.118 117.710 -3.592 19642 6808 1 14 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.266 -0.026 19642 6809 1 14 . 1 1 27 27 ARG C C 27 178.376 178.376 177.292 1.084 19642 6810 1 14 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.993 -0.878 19642 6811 1 14 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.719 -0.178 19642 6812 1 14 . 1 1 27 27 ARG H H 27 8.362 8.362 8.505 -0.143 19642 6813 1 14 . 1 1 28 28 ASP N N 28 116.954 116.954 119.727 -2.773 19642 6814 1 14 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.451 0.010 19642 6815 1 14 . 1 1 28 28 ASP C C 28 180.328 180.328 177.738 2.590 19642 6816 1 14 . 1 1 28 28 ASP CA C 28 57.527 57.527 56.715 0.812 19642 6817 1 14 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.253 1.311 19642 6818 1 14 . 1 1 28 28 ASP H H 28 7.688 7.688 7.671 0.017 19642 6819 1 14 . 1 1 29 29 LEU N N 29 117.931 117.931 118.154 -0.223 19642 6820 1 14 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.123 0.194 19642 6821 1 14 . 1 1 29 29 LEU C C 29 178.541 178.541 178.322 0.219 19642 6822 1 14 . 1 1 29 29 LEU CA C 29 56.849 56.849 56.257 0.592 19642 6823 1 14 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.512 0.260 19642 6824 1 14 . 1 1 29 29 LEU H H 29 7.173 7.173 7.758 -0.585 19642 6825 1 14 . 1 1 30 30 GLU N N 30 121.321 121.321 119.220 2.101 19642 6826 1 14 . 1 1 30 30 GLU HA H 30 3.788 3.788 3.958 -0.170 19642 6827 1 14 . 1 1 30 30 GLU C C 30 179.497 179.497 178.397 1.100 19642 6828 1 14 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.329 0.970 19642 6829 1 14 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.453 0.219 19642 6830 1 14 . 1 1 30 30 GLU H H 30 8.632 8.632 7.468 1.164 19642 6831 1 14 . 1 1 31 31 GLU N N 31 118.162 118.162 119.029 -0.867 19642 6832 1 14 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.034 0.033 19642 6833 1 14 . 1 1 31 31 GLU C C 31 179.635 179.635 178.327 1.308 19642 6834 1 14 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.971 0.386 19642 6835 1 14 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.372 0.124 19642 6836 1 14 . 1 1 31 31 GLU H H 31 8.405 8.405 8.579 -0.174 19642 6837 1 14 . 1 1 32 32 PHE N N 32 120.127 120.127 118.088 2.039 19642 6838 1 14 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.175 0.178 19642 6839 1 14 . 1 1 32 32 PHE C C 32 177.183 177.183 175.477 1.706 19642 6840 1 14 . 1 1 32 32 PHE CA C 32 60.941 60.941 59.727 1.214 19642 6841 1 14 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.667 1.255 19642 6842 1 14 . 1 1 32 32 PHE H H 32 7.767 7.767 7.447 0.320 19642 6843 1 14 . 1 1 33 33 PHE N N 33 112.879 112.879 114.566 -1.687 19642 6844 1 14 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.801 -0.550 19642 6845 1 14 . 1 1 33 33 PHE C C 33 177.304 177.304 177.646 -0.342 19642 6846 1 14 . 1 1 33 33 PHE CA C 33 61.179 61.179 56.855 4.324 19642 6847 1 14 . 1 1 33 33 PHE CB C 33 38.580 38.580 39.996 -1.416 19642 6848 1 14 . 1 1 33 33 PHE H H 33 8.489 8.489 7.335 1.154 19642 6849 1 14 . 1 1 34 34 SER N N 34 115.870 115.870 117.349 -1.479 19642 6850 1 14 . 1 1 34 34 SER HA H 34 5.119 5.119 4.410 0.709 19642 6851 1 14 . 1 1 34 34 SER C C 34 175.464 175.464 177.129 -1.665 19642 6852 1 14 . 1 1 34 34 SER CA C 34 61.268 61.268 61.089 0.179 19642 6853 1 14 . 1 1 34 34 SER CB C 34 62.915 62.915 62.706 0.209 19642 6854 1 14 . 1 1 34 34 SER H H 34 7.997 7.997 8.380 -0.383 19642 6855 1 14 . 1 1 35 35 THR N N 35 110.934 110.934 114.494 -3.560 19642 6856 1 14 . 1 1 35 35 THR HA H 35 4.147 4.147 4.096 0.051 19642 6857 1 14 . 1 1 35 35 THR C C 35 176.410 176.410 175.433 0.977 19642 6858 1 14 . 1 1 35 35 THR CA C 35 63.756 63.756 64.891 -1.135 19642 6859 1 14 . 1 1 35 35 THR CB C 35 68.802 68.802 69.134 -0.332 19642 6860 1 14 . 1 1 35 35 THR H H 35 7.188 7.188 7.826 -0.638 19642 6861 1 14 . 1 1 36 36 VAL N N 36 111.644 111.644 114.691 -3.047 19642 6862 1 14 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.573 0.050 19642 6863 1 14 . 1 1 36 36 VAL C C 36 176.046 176.046 174.253 1.793 19642 6864 1 14 . 1 1 36 36 VAL CA C 36 60.472 60.472 60.404 0.068 19642 6865 1 14 . 1 1 36 36 VAL CB C 36 32.425 32.425 31.605 0.820 19642 6866 1 14 . 1 1 36 36 VAL H H 36 7.665 7.665 7.739 -0.074 19642 6867 1 14 . 1 1 37 37 GLY N N 37 109.343 109.343 108.756 0.587 19642 6868 1 14 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.889 -0.620 19642 6869 1 14 . 1 1 37 37 GLY H H 37 7.640 7.640 7.471 0.169 19642 6870 1 14 . 1 1 38 38 LYS N N 38 117.953 117.953 120.082 -2.129 19642 6871 1 14 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.617 -0.078 19642 6872 1 14 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.446 0.278 19642 6873 1 14 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.508 -2.633 19642 6874 1 14 . 1 1 38 38 LYS H H 38 8.246 8.246 8.703 -0.457 19642 6875 1 14 . 1 1 39 39 VAL N N 39 128.639 128.639 125.384 3.255 19642 6876 1 14 . 1 1 39 39 VAL HA H 39 3.685 3.685 4.003 -0.318 19642 6877 1 14 . 1 1 39 39 VAL CA C 39 62.816 62.816 59.923 2.893 19642 6878 1 14 . 1 1 39 39 VAL CB C 39 32.992 32.992 34.274 -1.282 19642 6879 1 14 . 1 1 39 39 VAL H H 39 9.126 9.126 8.328 0.798 19642 6880 1 14 . 1 1 40 40 ARG N N 40 129.292 129.292 126.288 3.004 19642 6881 1 14 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.256 0.023 19642 6882 1 14 . 1 1 40 40 ARG C C 40 175.643 175.643 176.137 -0.494 19642 6883 1 14 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.642 -1.308 19642 6884 1 14 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.389 0.271 19642 6885 1 14 . 1 1 40 40 ARG H H 40 9.573 9.573 8.924 0.649 19642 6886 1 14 . 1 1 41 41 ASP N N 41 116.255 116.255 113.800 2.455 19642 6887 1 14 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.765 0.075 19642 6888 1 14 . 1 1 41 41 ASP C C 41 173.674 173.674 173.311 0.363 19642 6889 1 14 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.391 0.314 19642 6890 1 14 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.535 0.368 19642 6891 1 14 . 1 1 41 41 ASP H H 41 7.762 7.762 8.066 -0.304 19642 6892 1 14 . 1 1 42 42 VAL N N 42 122.442 122.442 118.194 4.248 19642 6893 1 14 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.835 -0.200 19642 6894 1 14 . 1 1 42 42 VAL C C 42 174.714 174.714 175.372 -0.658 19642 6895 1 14 . 1 1 42 42 VAL CA C 42 61.274 61.274 60.860 0.414 19642 6896 1 14 . 1 1 42 42 VAL CB C 42 34.832 34.832 35.112 -0.280 19642 6897 1 14 . 1 1 42 42 VAL H H 42 7.939 7.939 8.474 -0.535 19642 6898 1 14 . 1 1 43 43 ARG N N 43 126.687 126.687 126.239 0.448 19642 6899 1 14 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.785 -0.020 19642 6900 1 14 . 1 1 43 43 ARG C C 43 175.278 175.278 174.649 0.629 19642 6901 1 14 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.801 -0.423 19642 6902 1 14 . 1 1 43 43 ARG CB C 43 32.434 32.434 31.742 0.691 19642 6903 1 14 . 1 1 43 43 ARG H H 43 9.171 9.171 9.182 -0.011 19642 6904 1 14 . 1 1 44 44 MET N N 44 123.092 123.092 124.282 -1.190 19642 6905 1 14 . 1 1 44 44 MET HA H 44 4.906 4.906 4.573 0.333 19642 6906 1 14 . 1 1 44 44 MET C C 44 176.360 176.360 175.938 0.422 19642 6907 1 14 . 1 1 44 44 MET CA C 44 53.152 53.152 56.084 -2.932 19642 6908 1 14 . 1 1 44 44 MET CB C 44 32.940 32.940 34.541 -1.601 19642 6909 1 14 . 1 1 44 44 MET H H 44 8.939 8.939 8.837 0.102 19642 6910 1 14 . 1 1 45 45 ILE N N 45 124.146 124.146 122.321 1.825 19642 6911 1 14 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.398 0.062 19642 6912 1 14 . 1 1 45 45 ILE C C 45 175.961 175.961 175.801 0.160 19642 6913 1 14 . 1 1 45 45 ILE CA C 45 59.947 59.947 61.219 -1.272 19642 6914 1 14 . 1 1 45 45 ILE CB C 45 38.193 38.193 37.618 0.575 19642 6915 1 14 . 1 1 45 45 ILE H H 45 8.319 8.319 8.758 -0.439 19642 6916 1 14 . 1 1 46 46 SER N N 46 121.541 121.541 116.533 5.008 19642 6917 1 14 . 1 1 46 46 SER HA H 46 4.709 4.709 4.469 0.240 19642 6918 1 14 . 1 1 46 46 SER C C 46 174.061 174.061 175.134 -1.073 19642 6919 1 14 . 1 1 46 46 SER CA C 46 57.381 57.381 59.801 -2.420 19642 6920 1 14 . 1 1 46 46 SER CB C 46 64.273 64.273 62.955 1.318 19642 6921 1 14 . 1 1 46 46 SER H H 46 8.653 8.653 7.887 0.766 19642 6922 1 14 . 1 1 47 47 ASP N N 47 123.132 123.132 122.152 0.980 19642 6923 1 14 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.689 -0.031 19642 6924 1 14 . 1 1 47 47 ASP C C 47 177.203 177.203 175.214 1.989 19642 6925 1 14 . 1 1 47 47 ASP CA C 47 53.662 53.662 53.969 -0.307 19642 6926 1 14 . 1 1 47 47 ASP CB C 47 41.920 41.920 40.423 1.497 19642 6927 1 14 . 1 1 47 47 ASP H H 47 8.598 8.598 8.411 0.187 19642 6928 1 14 . 1 1 48 48 ARG N N 48 122.881 122.881 119.153 3.728 19642 6929 1 14 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.619 -0.412 19642 6930 1 14 . 1 1 48 48 ARG C C 48 177.090 177.090 175.655 1.435 19642 6931 1 14 . 1 1 48 48 ARG CA C 48 57.206 57.206 54.046 3.160 19642 6932 1 14 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.573 -1.798 19642 6933 1 14 . 1 1 48 48 ARG H H 48 8.648 8.648 7.506 1.142 19642 6934 1 14 . 1 1 49 49 ASN N N 49 117.245 117.245 118.265 -1.020 19642 6935 1 14 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.822 -0.076 19642 6936 1 14 . 1 1 49 49 ASN C C 49 175.822 175.822 174.470 1.352 19642 6937 1 14 . 1 1 49 49 ASN CA C 49 53.592 53.592 52.839 0.753 19642 6938 1 14 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.102 0.808 19642 6939 1 14 . 1 1 49 49 ASN H H 49 8.502 8.502 8.872 -0.370 19642 6940 1 14 . 1 1 50 50 SER N N 50 114.891 114.891 115.251 -0.360 19642 6941 1 14 . 1 1 50 50 SER HA H 50 4.429 4.429 4.517 -0.088 19642 6942 1 14 . 1 1 50 50 SER C C 50 175.339 175.339 173.468 1.871 19642 6943 1 14 . 1 1 50 50 SER CA C 50 58.396 58.396 57.603 0.793 19642 6944 1 14 . 1 1 50 50 SER CB C 50 63.681 63.681 64.449 -0.768 19642 6945 1 14 . 1 1 50 50 SER H H 50 8.158 8.158 7.737 0.421 19642 6946 1 14 . 1 1 51 51 ARG N N 51 120.957 120.957 121.336 -0.379 19642 6947 1 14 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.344 -0.055 19642 6948 1 14 . 1 1 51 51 ARG C C 51 176.845 176.845 177.460 -0.615 19642 6949 1 14 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.297 0.375 19642 6950 1 14 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.307 -0.687 19642 6951 1 14 . 1 1 51 51 ARG H H 51 8.451 8.451 8.726 -0.275 19642 6952 1 14 . 1 1 52 52 ARG N N 52 119.405 119.405 119.372 0.033 19642 6953 1 14 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.094 0.326 19642 6954 1 14 . 1 1 52 52 ARG CA C 52 55.765 55.765 58.682 -2.917 19642 6955 1 14 . 1 1 52 52 ARG CB C 52 30.875 30.875 30.445 0.430 19642 6956 1 14 . 1 1 52 52 ARG H H 52 8.159 8.159 8.305 -0.146 19642 6957 1 14 . 1 1 53 53 SER N N 53 116.328 116.328 109.122 7.206 19642 6958 1 14 . 1 1 53 53 SER HA H 53 4.492 4.492 4.469 0.023 19642 6959 1 14 . 1 1 53 53 SER CA C 53 58.142 58.142 58.372 -0.230 19642 6960 1 14 . 1 1 53 53 SER CB C 53 63.447 63.447 64.730 -1.283 19642 6961 1 14 . 1 1 53 53 SER H H 53 8.370 8.370 8.241 0.129 19642 6962 1 14 . 1 1 54 54 LYS N N 54 122.099 122.099 121.846 0.253 19642 6963 1 14 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.022 0.477 19642 6964 1 14 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.132 -1.569 19642 6965 1 14 . 1 1 54 54 LYS CB C 54 33.079 33.079 30.205 2.874 19642 6966 1 14 . 1 1 54 54 LYS H H 54 8.374 8.374 8.469 -0.095 19642 6967 1 14 . 1 1 55 55 GLY N N 55 109.513 109.513 104.608 4.905 19642 6968 1 14 . 1 1 55 55 GLY C C 55 172.962 172.962 171.988 0.974 19642 6969 1 14 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.852 1.042 19642 6970 1 14 . 1 1 55 55 GLY H H 55 8.592 8.592 8.125 0.467 19642 6971 1 14 . 1 1 56 56 ILE N N 56 114.180 114.180 115.816 -1.636 19642 6972 1 14 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.414 -0.402 19642 6973 1 14 . 1 1 56 56 ILE C C 56 175.172 175.172 173.198 1.974 19642 6974 1 14 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.925 -0.194 19642 6975 1 14 . 1 1 56 56 ILE CB C 56 42.162 42.162 42.010 0.152 19642 6976 1 14 . 1 1 56 56 ILE H H 56 7.618 7.618 7.713 -0.095 19642 6977 1 14 . 1 1 57 57 ALA N N 57 121.556 121.556 123.894 -2.338 19642 6978 1 14 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.176 -0.056 19642 6979 1 14 . 1 1 57 57 ALA C C 57 175.094 175.094 174.962 0.132 19642 6980 1 14 . 1 1 57 57 ALA CA C 57 50.699 50.699 50.754 -0.055 19642 6981 1 14 . 1 1 57 57 ALA CB C 57 24.170 24.170 23.108 1.062 19642 6982 1 14 . 1 1 57 57 ALA H H 57 8.308 8.308 8.788 -0.480 19642 6983 1 14 . 1 1 58 58 TYR N N 58 118.387 118.387 117.793 0.594 19642 6984 1 14 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.445 0.036 19642 6985 1 14 . 1 1 58 58 TYR C C 58 175.537 175.537 174.999 0.538 19642 6986 1 14 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.400 0.114 19642 6987 1 14 . 1 1 58 58 TYR CB C 58 40.607 40.607 41.479 -0.872 19642 6988 1 14 . 1 1 58 58 TYR H H 58 8.971 8.971 9.020 -0.049 19642 6989 1 14 . 1 1 59 59 VAL N N 59 122.978 122.978 124.097 -1.119 19642 6990 1 14 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.411 -0.035 19642 6991 1 14 . 1 1 59 59 VAL C C 59 172.631 172.631 175.470 -2.839 19642 6992 1 14 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.957 -0.740 19642 6993 1 14 . 1 1 59 59 VAL CB C 59 33.575 33.575 33.259 0.316 19642 6994 1 14 . 1 1 59 59 VAL H H 59 8.828 8.828 9.163 -0.335 19642 6995 1 14 . 1 1 60 60 GLU N N 60 128.557 128.557 128.719 -0.162 19642 6996 1 14 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.651 0.200 19642 6997 1 14 . 1 1 60 60 GLU C C 60 176.210 176.210 175.925 0.285 19642 6998 1 14 . 1 1 60 60 GLU CA C 60 53.842 53.842 54.958 -1.116 19642 6999 1 14 . 1 1 60 60 GLU CB C 60 33.103 33.103 29.553 3.550 19642 7000 1 14 . 1 1 60 60 GLU H H 60 8.774 8.774 9.000 -0.226 19642 7001 1 14 . 1 1 61 61 PHE N N 61 126.659 126.659 123.766 2.893 19642 7002 1 14 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.313 0.603 19642 7003 1 14 . 1 1 61 61 PHE C C 61 176.011 176.011 176.826 -0.815 19642 7004 1 14 . 1 1 61 61 PHE CA C 61 58.586 58.586 60.974 -2.388 19642 7005 1 14 . 1 1 61 61 PHE CB C 61 41.038 41.038 39.873 1.165 19642 7006 1 14 . 1 1 61 61 PHE H H 61 9.340 9.340 8.224 1.116 19642 7007 1 14 . 1 1 62 62 VAL N N 62 118.280 118.280 119.484 -1.204 19642 7008 1 14 . 1 1 62 62 VAL HA H 62 3.743 3.743 4.010 -0.267 19642 7009 1 14 . 1 1 62 62 VAL C C 62 176.097 176.097 176.106 -0.009 19642 7010 1 14 . 1 1 62 62 VAL CA C 62 65.785 65.785 64.670 1.115 19642 7011 1 14 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.311 0.500 19642 7012 1 14 . 1 1 62 62 VAL H H 62 8.184 8.184 8.634 -0.450 19642 7013 1 14 . 1 1 63 63 ASP N N 63 118.269 118.269 119.762 -1.493 19642 7014 1 14 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.807 0.385 19642 7015 1 14 . 1 1 63 63 ASP C C 63 176.648 176.648 175.132 1.516 19642 7016 1 14 . 1 1 63 63 ASP CA C 63 52.639 52.639 53.201 -0.562 19642 7017 1 14 . 1 1 63 63 ASP CB C 63 44.569 44.569 42.980 1.589 19642 7018 1 14 . 1 1 63 63 ASP H H 63 8.708 8.708 8.080 0.628 19642 7019 1 14 . 1 1 64 64 VAL N N 64 121.961 121.961 119.720 2.241 19642 7020 1 14 . 1 1 64 64 VAL HA H 64 3.811 3.811 4.114 -0.303 19642 7021 1 14 . 1 1 64 64 VAL C C 64 178.439 178.439 177.025 1.414 19642 7022 1 14 . 1 1 64 64 VAL CA C 64 64.819 64.819 63.724 1.095 19642 7023 1 14 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.853 -0.803 19642 7024 1 14 . 1 1 64 64 VAL H H 64 8.609 8.609 8.394 0.215 19642 7025 1 14 . 1 1 65 65 SER N N 65 115.305 115.305 116.769 -1.464 19642 7026 1 14 . 1 1 65 65 SER HA H 65 4.143 4.143 4.196 -0.053 19642 7027 1 14 . 1 1 65 65 SER C C 65 176.285 176.285 175.095 1.190 19642 7028 1 14 . 1 1 65 65 SER CA C 65 60.158 60.158 60.718 -0.560 19642 7029 1 14 . 1 1 65 65 SER CB C 65 62.066 62.066 62.654 -0.588 19642 7030 1 14 . 1 1 65 65 SER H H 65 8.492 8.492 7.970 0.522 19642 7031 1 14 . 1 1 66 66 SER N N 66 116.053 116.053 114.876 1.177 19642 7032 1 14 . 1 1 66 66 SER HA H 66 4.024 4.024 4.110 -0.086 19642 7033 1 14 . 1 1 66 66 SER C C 66 174.528 174.528 174.859 -0.331 19642 7034 1 14 . 1 1 66 66 SER CA C 66 60.749 60.749 59.532 1.217 19642 7035 1 14 . 1 1 66 66 SER CB C 66 63.063 63.063 62.160 0.903 19642 7036 1 14 . 1 1 66 66 SER H H 66 7.414 7.414 7.713 -0.299 19642 7037 1 14 . 1 1 67 67 VAL N N 67 119.830 119.830 123.081 -3.251 19642 7038 1 14 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.579 -0.259 19642 7039 1 14 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.749 0.289 19642 7040 1 14 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.425 -0.227 19642 7041 1 14 . 1 1 67 67 VAL H H 67 7.611 7.611 7.627 -0.016 19642 7042 1 14 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.241 0.024 19642 7043 1 14 . 1 1 68 68 PRO C C 68 180.457 180.457 177.621 2.836 19642 7044 1 14 . 1 1 68 68 PRO CA C 68 65.072 65.072 64.731 0.341 19642 7045 1 14 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.183 -0.445 19642 7046 1 14 . 1 1 69 69 LEU N N 69 115.334 115.334 119.830 -4.496 19642 7047 1 14 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.029 0.070 19642 7048 1 14 . 1 1 69 69 LEU C C 69 179.450 179.450 178.574 0.876 19642 7049 1 14 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.218 -0.776 19642 7050 1 14 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.732 -0.610 19642 7051 1 14 . 1 1 69 69 LEU H H 69 6.284 6.284 7.238 -0.954 19642 7052 1 14 . 1 1 70 70 ALA N N 70 122.703 122.703 121.107 1.596 19642 7053 1 14 . 1 1 70 70 ALA HA H 70 4.175 4.175 3.713 0.462 19642 7054 1 14 . 1 1 70 70 ALA C C 70 180.611 180.611 179.927 0.684 19642 7055 1 14 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.546 0.349 19642 7056 1 14 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.642 1.901 19642 7057 1 14 . 1 1 70 70 ALA H H 70 8.342 8.342 7.550 0.792 19642 7058 1 14 . 1 1 71 71 ILE N N 71 118.692 118.692 117.404 1.288 19642 7059 1 14 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.803 0.462 19642 7060 1 14 . 1 1 71 71 ILE C C 71 179.971 179.971 177.965 2.006 19642 7061 1 14 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.026 1.091 19642 7062 1 14 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.759 0.841 19642 7063 1 14 . 1 1 71 71 ILE H H 71 8.255 8.255 7.569 0.686 19642 7064 1 14 . 1 1 72 72 GLY N N 72 106.417 106.417 107.093 -0.676 19642 7065 1 14 . 1 1 72 72 GLY C C 72 174.590 174.590 175.452 -0.862 19642 7066 1 14 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.289 -0.398 19642 7067 1 14 . 1 1 72 72 GLY H H 72 7.635 7.635 8.181 -0.546 19642 7068 1 14 . 1 1 73 73 LEU N N 73 120.383 120.383 120.057 0.326 19642 7069 1 14 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.650 -0.239 19642 7070 1 14 . 1 1 73 73 LEU C C 73 176.338 176.338 178.253 -1.915 19642 7071 1 14 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.353 0.596 19642 7072 1 14 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.080 -0.487 19642 7073 1 14 . 1 1 73 73 LEU H H 73 7.767 7.767 7.481 0.286 19642 7074 1 14 . 1 1 74 74 THR N N 74 115.157 115.157 115.612 -0.455 19642 7075 1 14 . 1 1 74 74 THR HA H 74 4.060 4.060 4.248 -0.188 19642 7076 1 14 . 1 1 74 74 THR C C 74 175.656 175.656 176.359 -0.703 19642 7077 1 14 . 1 1 74 74 THR CA C 74 66.177 66.177 65.522 0.655 19642 7078 1 14 . 1 1 74 74 THR CB C 74 69.821 69.821 68.747 1.074 19642 7079 1 14 . 1 1 74 74 THR H H 74 7.731 7.731 7.444 0.287 19642 7080 1 14 . 1 1 75 75 GLY N N 75 117.587 117.587 107.650 9.937 19642 7081 1 14 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.595 0.030 19642 7082 1 14 . 1 1 75 75 GLY H H 75 9.519 9.519 8.313 1.206 19642 7083 1 14 . 1 1 76 76 GLN N N 76 120.027 120.027 119.949 0.078 19642 7084 1 14 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.437 -0.123 19642 7085 1 14 . 1 1 76 76 GLN C C 76 175.015 175.015 174.897 0.118 19642 7086 1 14 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.663 0.155 19642 7087 1 14 . 1 1 76 76 GLN CB C 76 28.220 28.220 30.214 -1.994 19642 7088 1 14 . 1 1 76 76 GLN H H 76 8.319 8.319 8.040 0.279 19642 7089 1 14 . 1 1 77 77 ARG N N 77 118.759 118.759 117.724 1.035 19642 7090 1 14 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.699 -0.568 19642 7091 1 14 . 1 1 77 77 ARG C C 77 176.209 176.209 175.522 0.687 19642 7092 1 14 . 1 1 77 77 ARG CA C 77 56.091 56.091 54.960 1.131 19642 7093 1 14 . 1 1 77 77 ARG CB C 77 31.364 31.364 30.458 0.906 19642 7094 1 14 . 1 1 77 77 ARG H H 77 8.544 8.544 8.733 -0.189 19642 7095 1 14 . 1 1 78 78 VAL N N 78 123.886 123.886 127.145 -3.259 19642 7096 1 14 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.783 0.052 19642 7097 1 14 . 1 1 78 78 VAL C C 78 176.570 176.570 175.861 0.709 19642 7098 1 14 . 1 1 78 78 VAL CA C 78 61.470 61.470 63.412 -1.942 19642 7099 1 14 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.026 1.176 19642 7100 1 14 . 1 1 78 78 VAL H H 78 8.015 8.015 8.207 -0.192 19642 7101 1 14 . 1 1 79 79 LEU N N 79 129.331 129.331 128.965 0.366 19642 7102 1 14 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.900 -0.068 19642 7103 1 14 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.360 0.413 19642 7104 1 14 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.028 0.513 19642 7105 1 14 . 1 1 79 79 LEU H H 79 9.570 9.570 8.886 0.684 19642 7106 1 14 . 1 1 80 80 GLY N N 80 100.301 100.301 104.428 -4.127 19642 7107 1 14 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.937 0.292 19642 7108 1 14 . 1 1 80 80 GLY H H 80 8.316 8.316 7.986 0.330 19642 7109 1 14 . 1 1 81 81 VAL N N 81 122.763 122.763 121.688 1.075 19642 7110 1 14 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.430 0.207 19642 7111 1 14 . 1 1 81 81 VAL CA C 81 59.355 59.355 59.233 0.122 19642 7112 1 14 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.313 3.584 19642 7113 1 14 . 1 1 81 81 VAL H H 81 7.632 7.632 7.872 -0.240 19642 7114 1 14 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.930 -0.598 19642 7115 1 14 . 1 1 82 82 PRO C C 82 175.005 175.005 175.977 -0.972 19642 7116 1 14 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.112 0.391 19642 7117 1 14 . 1 1 82 82 PRO CB C 82 31.280 31.280 33.154 -1.873 19642 7118 1 14 . 1 1 83 83 ILE N N 83 126.022 126.022 117.357 8.665 19642 7119 1 14 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.743 -0.117 19642 7120 1 14 . 1 1 83 83 ILE C C 83 175.679 175.679 174.232 1.447 19642 7121 1 14 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.766 2.203 19642 7122 1 14 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.689 -0.776 19642 7123 1 14 . 1 1 83 83 ILE H H 83 8.391 8.391 7.790 0.601 19642 7124 1 14 . 1 1 84 84 ILE N N 84 125.284 125.284 124.988 0.296 19642 7125 1 14 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.492 -0.059 19642 7126 1 14 . 1 1 84 84 ILE C C 84 174.418 174.418 177.116 -2.698 19642 7127 1 14 . 1 1 84 84 ILE CA C 84 61.313 61.313 58.409 2.904 19642 7128 1 14 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.830 1.070 19642 7129 1 14 . 1 1 84 84 ILE H H 84 7.842 7.842 8.523 -0.681 19642 7130 1 14 . 1 1 85 85 VAL N N 85 128.143 128.143 120.252 7.891 19642 7131 1 14 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.917 -0.300 19642 7132 1 14 . 1 1 85 85 VAL CA C 85 64.887 64.887 63.261 1.626 19642 7133 1 14 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.814 2.255 19642 7134 1 14 . 1 1 85 85 VAL H H 85 8.400 8.400 8.574 -0.174 19642 7135 1 14 . 1 1 86 86 GLN N N 86 122.965 122.965 119.127 3.838 19642 7136 1 14 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.059 0.844 19642 7137 1 14 . 1 1 86 86 GLN C C 86 175.590 175.590 176.168 -0.578 19642 7138 1 14 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.748 3.008 19642 7139 1 14 . 1 1 86 86 GLN CB C 86 34.013 34.013 29.039 4.974 19642 7140 1 14 . 1 1 86 86 GLN H H 86 9.242 9.242 7.862 1.380 19642 7141 1 14 . 1 1 87 87 ALA N N 87 123.174 123.174 118.951 4.223 19642 7142 1 14 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.160 0.196 19642 7143 1 14 . 1 1 87 87 ALA C C 87 178.095 178.095 176.247 1.848 19642 7144 1 14 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.786 0.039 19642 7145 1 14 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.747 -0.213 19642 7146 1 14 . 1 1 87 87 ALA H H 87 8.907 8.907 7.639 1.268 19642 7147 1 14 . 1 1 88 88 SER N N 88 114.952 114.952 118.658 -3.706 19642 7148 1 14 . 1 1 88 88 SER HA H 88 4.294 4.294 4.618 -0.324 19642 7149 1 14 . 1 1 88 88 SER C C 88 175.470 175.470 175.123 0.347 19642 7150 1 14 . 1 1 88 88 SER CA C 88 59.617 59.617 58.828 0.789 19642 7151 1 14 . 1 1 88 88 SER CB C 88 63.409 63.409 63.973 -0.564 19642 7152 1 14 . 1 1 88 88 SER H H 88 8.343 8.343 8.344 -0.001 19642 7153 1 14 . 1 1 89 89 GLN N N 89 121.151 121.151 121.305 -0.154 19642 7154 1 14 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.021 0.292 19642 7155 1 14 . 1 1 89 89 GLN C C 89 175.838 175.838 174.092 1.746 19642 7156 1 14 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.776 -1.490 19642 7157 1 14 . 1 1 89 89 GLN CB C 89 29.333 29.333 27.161 2.172 19642 7158 1 14 . 1 1 89 89 GLN H H 89 8.348 8.348 8.711 -0.363 19642 7159 1 14 . 1 1 90 90 ALA N N 90 124.942 124.942 121.207 3.735 19642 7160 1 14 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.562 -0.359 19642 7161 1 14 . 1 1 90 90 ALA C C 90 178.381 178.381 176.774 1.607 19642 7162 1 14 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.467 1.296 19642 7163 1 14 . 1 1 90 90 ALA CB C 90 19.071 19.071 21.241 -2.170 19642 7164 1 14 . 1 1 90 90 ALA H H 90 8.245 8.245 7.879 0.366 19642 7165 1 14 . 1 1 91 91 GLU N N 91 119.604 119.604 120.140 -0.536 19642 7166 1 14 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.309 -0.156 19642 7167 1 14 . 1 1 91 91 GLU C C 91 176.986 176.986 176.868 0.118 19642 7168 1 14 . 1 1 91 91 GLU CA C 91 56.535 56.535 57.144 -0.609 19642 7169 1 14 . 1 1 91 91 GLU CB C 91 30.029 30.029 29.458 0.571 19642 7170 1 14 . 1 1 91 91 GLU H H 91 8.414 8.414 8.744 -0.330 19642 7171 1 14 . 1 1 92 92 LYS N N 92 121.284 121.284 117.938 3.346 19642 7172 1 14 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.368 -0.078 19642 7173 1 14 . 1 1 92 92 LYS C C 92 176.699 176.699 176.487 0.212 19642 7174 1 14 . 1 1 92 92 LYS CA C 92 56.042 56.042 56.024 0.018 19642 7175 1 14 . 1 1 92 92 LYS CB C 92 32.705 32.705 32.564 0.141 19642 7176 1 14 . 1 1 92 92 LYS H H 92 8.212 8.212 8.215 -0.003 19642 7177 1 14 . 1 1 93 93 ASN N N 93 119.221 119.221 119.035 0.186 19642 7178 1 14 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.636 0.064 19642 7179 1 14 . 1 1 93 93 ASN C C 93 174.424 174.424 175.065 -0.641 19642 7180 1 14 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.066 0.043 19642 7181 1 14 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.049 0.677 19642 7182 1 14 . 1 1 93 93 ASN H H 93 8.370 8.370 7.998 0.372 19642 7183 1 15 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.394 0.299 19642 7184 1 15 . 1 1 2 2 HIS C C 2 175.244 175.244 174.926 0.318 19642 7185 1 15 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.049 -0.200 19642 7186 1 15 . 1 1 2 2 HIS CB C 2 30.165 30.165 28.995 1.170 19642 7187 1 15 . 1 1 3 3 MET HA H 3 4.464 4.464 3.913 0.551 19642 7188 1 15 . 1 1 3 3 MET C C 3 175.896 175.896 174.924 0.972 19642 7189 1 15 . 1 1 3 3 MET CA C 3 55.188 55.188 56.311 -1.123 19642 7190 1 15 . 1 1 3 3 MET CB C 3 32.736 32.736 30.330 2.406 19642 7191 1 15 . 1 1 4 4 ASN N N 4 120.610 120.610 118.389 2.221 19642 7192 1 15 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.846 -0.094 19642 7193 1 15 . 1 1 4 4 ASN C C 4 175.033 175.033 174.195 0.838 19642 7194 1 15 . 1 1 4 4 ASN CA C 4 52.728 52.728 52.135 0.593 19642 7195 1 15 . 1 1 4 4 ASN CB C 4 38.604 38.604 40.468 -1.863 19642 7196 1 15 . 1 1 4 4 ASN H H 4 8.564 8.564 7.625 0.939 19642 7197 1 15 . 1 1 5 5 LEU N N 5 122.314 122.314 123.899 -1.585 19642 7198 1 15 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.348 0.262 19642 7199 1 15 . 1 1 5 5 LEU C C 5 178.178 178.178 177.125 1.053 19642 7200 1 15 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.928 -0.623 19642 7201 1 15 . 1 1 5 5 LEU CB C 5 43.343 43.343 42.581 0.762 19642 7202 1 15 . 1 1 5 5 LEU H H 5 8.046 8.046 8.450 -0.404 19642 7203 1 15 . 1 1 6 6 THR N N 6 115.483 115.483 118.564 -3.081 19642 7204 1 15 . 1 1 6 6 THR HA H 6 4.626 4.626 4.499 0.127 19642 7205 1 15 . 1 1 6 6 THR CA C 6 60.039 60.039 60.248 -0.209 19642 7206 1 15 . 1 1 6 6 THR CB C 6 68.119 68.119 68.605 -0.486 19642 7207 1 15 . 1 1 6 6 THR H H 6 8.948 8.948 8.152 0.796 19642 7208 1 15 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.221 -0.078 19642 7209 1 15 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.395 0.178 19642 7210 1 15 . 1 1 7 7 PRO CB C 7 31.640 31.640 32.094 -0.454 19642 7211 1 15 . 1 1 8 8 GLU N N 8 116.691 116.691 118.215 -1.524 19642 7212 1 15 . 1 1 8 8 GLU HA H 8 4.111 4.111 3.989 0.122 19642 7213 1 15 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.971 -0.399 19642 7214 1 15 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.317 -0.428 19642 7215 1 15 . 1 1 8 8 GLU H H 8 8.753 8.753 8.777 -0.024 19642 7216 1 15 . 1 1 9 9 GLU N N 9 121.235 121.235 118.346 2.889 19642 7217 1 15 . 1 1 9 9 GLU HA H 9 4.041 4.041 3.984 0.057 19642 7218 1 15 . 1 1 9 9 GLU C C 9 180.194 180.194 178.982 1.212 19642 7219 1 15 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.694 -1.167 19642 7220 1 15 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.027 1.539 19642 7221 1 15 . 1 1 9 9 GLU H H 9 7.823 7.823 8.818 -0.995 19642 7222 1 15 . 1 1 10 10 ARG N N 10 120.373 120.373 117.431 2.942 19642 7223 1 15 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.049 -0.162 19642 7224 1 15 . 1 1 10 10 ARG C C 10 180.714 180.714 178.516 2.198 19642 7225 1 15 . 1 1 10 10 ARG CA C 10 59.785 59.785 59.795 -0.010 19642 7226 1 15 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.101 -0.230 19642 7227 1 15 . 1 1 10 10 ARG H H 10 8.363 8.363 7.779 0.584 19642 7228 1 15 . 1 1 11 11 ASP N N 11 123.103 123.103 118.973 4.130 19642 7229 1 15 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.572 -0.258 19642 7230 1 15 . 1 1 11 11 ASP C C 11 179.081 179.081 177.035 2.046 19642 7231 1 15 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.191 1.492 19642 7232 1 15 . 1 1 11 11 ASP CB C 11 40.022 40.022 40.911 -0.889 19642 7233 1 15 . 1 1 11 11 ASP H H 11 8.709 8.709 7.804 0.905 19642 7234 1 15 . 1 1 12 12 ALA N N 12 119.926 119.926 121.802 -1.876 19642 7235 1 15 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.249 -0.006 19642 7236 1 15 . 1 1 12 12 ALA C C 12 177.593 177.593 177.668 -0.075 19642 7237 1 15 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.360 0.448 19642 7238 1 15 . 1 1 12 12 ALA CB C 12 18.341 18.341 20.429 -2.088 19642 7239 1 15 . 1 1 12 12 ALA H H 12 7.615 7.615 7.964 -0.349 19642 7240 1 15 . 1 1 13 13 ARG N N 13 113.504 113.504 114.977 -1.473 19642 7241 1 15 . 1 1 13 13 ARG HA H 13 4.427 4.427 3.946 0.481 19642 7242 1 15 . 1 1 13 13 ARG C C 13 174.905 174.905 174.459 0.446 19642 7243 1 15 . 1 1 13 13 ARG CA C 13 55.588 55.588 57.433 -1.845 19642 7244 1 15 . 1 1 13 13 ARG CB C 13 30.789 30.789 29.153 1.636 19642 7245 1 15 . 1 1 13 13 ARG H H 13 7.204 7.204 8.477 -1.273 19642 7246 1 15 . 1 1 14 14 THR N N 14 117.103 117.103 111.332 5.771 19642 7247 1 15 . 1 1 14 14 THR HA H 14 5.589 5.589 5.113 0.476 19642 7248 1 15 . 1 1 14 14 THR C C 14 174.610 174.610 174.497 0.113 19642 7249 1 15 . 1 1 14 14 THR CA C 14 61.993 61.993 61.748 0.245 19642 7250 1 15 . 1 1 14 14 THR CB C 14 70.185 70.185 71.483 -1.298 19642 7251 1 15 . 1 1 14 14 THR H H 14 7.685 7.685 7.673 0.012 19642 7252 1 15 . 1 1 15 15 VAL N N 15 117.127 117.127 117.022 0.105 19642 7253 1 15 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.727 0.353 19642 7254 1 15 . 1 1 15 15 VAL C C 15 173.786 173.786 173.848 -0.062 19642 7255 1 15 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.642 -1.057 19642 7256 1 15 . 1 1 15 15 VAL CB C 15 33.823 33.823 35.032 -1.209 19642 7257 1 15 . 1 1 15 15 VAL H H 15 9.154 9.154 8.755 0.399 19642 7258 1 15 . 1 1 16 16 PHE N N 16 122.697 122.697 125.653 -2.956 19642 7259 1 15 . 1 1 16 16 PHE HA H 16 5.183 5.183 5.130 0.053 19642 7260 1 15 . 1 1 16 16 PHE C C 16 174.520 174.520 174.394 0.126 19642 7261 1 15 . 1 1 16 16 PHE CA C 16 54.981 54.981 54.930 0.051 19642 7262 1 15 . 1 1 16 16 PHE CB C 16 42.266 42.266 39.585 2.681 19642 7263 1 15 . 1 1 16 16 PHE H H 16 9.359 9.359 8.442 0.917 19642 7264 1 15 . 1 1 17 17 CYS N N 17 122.356 122.356 127.907 -5.551 19642 7265 1 15 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.333 1.234 19642 7266 1 15 . 1 1 17 17 CYS C C 17 173.018 173.018 173.289 -0.271 19642 7267 1 15 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.139 -2.431 19642 7268 1 15 . 1 1 17 17 CYS CB C 17 30.776 30.776 29.863 0.913 19642 7269 1 15 . 1 1 17 17 CYS H H 17 8.931 8.931 8.888 0.043 19642 7270 1 15 . 1 1 18 18 MET N N 18 117.884 117.884 127.323 -9.439 19642 7271 1 15 . 1 1 18 18 MET HA H 18 4.846 4.846 4.463 0.383 19642 7272 1 15 . 1 1 18 18 MET C C 18 173.706 173.706 174.759 -1.053 19642 7273 1 15 . 1 1 18 18 MET CA C 18 53.623 53.623 54.550 -0.927 19642 7274 1 15 . 1 1 18 18 MET CB C 18 31.772 31.772 30.916 0.856 19642 7275 1 15 . 1 1 18 18 MET H H 18 8.818 8.818 8.632 0.186 19642 7276 1 15 . 1 1 19 19 GLN N N 19 115.022 115.022 118.966 -3.944 19642 7277 1 15 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.382 -0.684 19642 7278 1 15 . 1 1 19 19 GLN C C 19 173.403 173.403 174.000 -0.597 19642 7279 1 15 . 1 1 19 19 GLN CA C 19 57.009 57.009 55.444 1.565 19642 7280 1 15 . 1 1 19 19 GLN CB C 19 27.922 27.922 30.951 -3.029 19642 7281 1 15 . 1 1 19 19 GLN H H 19 8.463 8.463 7.995 0.468 19642 7282 1 15 . 1 1 20 20 LEU N N 20 116.032 116.032 120.513 -4.481 19642 7283 1 15 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.128 0.126 19642 7284 1 15 . 1 1 20 20 LEU C C 20 177.827 177.827 176.681 1.146 19642 7285 1 15 . 1 1 20 20 LEU CA C 20 52.595 52.595 55.092 -2.497 19642 7286 1 15 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.414 0.843 19642 7287 1 15 . 1 1 20 20 LEU H H 20 7.685 7.685 7.855 -0.170 19642 7288 1 15 . 1 1 21 21 ALA N N 21 125.644 125.644 122.320 3.324 19642 7289 1 15 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.602 -0.457 19642 7290 1 15 . 1 1 21 21 ALA C C 21 178.868 178.868 177.552 1.316 19642 7291 1 15 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.112 0.549 19642 7292 1 15 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.910 -1.556 19642 7293 1 15 . 1 1 21 21 ALA H H 21 9.473 9.473 7.987 1.486 19642 7294 1 15 . 1 1 22 22 ALA N N 22 124.495 124.495 122.101 2.394 19642 7295 1 15 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.208 -0.099 19642 7296 1 15 . 1 1 22 22 ALA C C 22 179.705 179.705 177.984 1.721 19642 7297 1 15 . 1 1 22 22 ALA CA C 22 54.560 54.560 53.603 0.957 19642 7298 1 15 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.787 -0.429 19642 7299 1 15 . 1 1 22 22 ALA H H 22 8.583 8.583 8.518 0.065 19642 7300 1 15 . 1 1 23 23 ARG N N 23 111.716 111.716 116.955 -5.239 19642 7301 1 15 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.521 -0.153 19642 7302 1 15 . 1 1 23 23 ARG C C 23 176.243 176.243 175.346 0.897 19642 7303 1 15 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.064 0.072 19642 7304 1 15 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.307 -1.146 19642 7305 1 15 . 1 1 23 23 ARG H H 23 7.905 7.905 7.871 0.034 19642 7306 1 15 . 1 1 24 24 ILE N N 24 121.734 121.734 121.479 0.255 19642 7307 1 15 . 1 1 24 24 ILE HA H 24 3.892 3.892 3.879 0.013 19642 7308 1 15 . 1 1 24 24 ILE C C 24 173.297 173.297 175.576 -2.279 19642 7309 1 15 . 1 1 24 24 ILE CA C 24 61.336 61.336 61.609 -0.273 19642 7310 1 15 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.843 -0.092 19642 7311 1 15 . 1 1 24 24 ILE H H 24 7.270 7.270 7.476 -0.206 19642 7312 1 15 . 1 1 25 25 ARG N N 25 125.810 125.810 124.584 1.226 19642 7313 1 15 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.689 0.266 19642 7314 1 15 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.368 -0.951 19642 7315 1 15 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.848 0.116 19642 7316 1 15 . 1 1 25 25 ARG H H 25 8.994 8.994 8.251 0.743 19642 7317 1 15 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.297 -0.237 19642 7318 1 15 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.422 1.250 19642 7319 1 15 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.214 -0.754 19642 7320 1 15 . 1 1 27 27 ARG N N 27 114.118 114.118 119.824 -5.706 19642 7321 1 15 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.016 0.224 19642 7322 1 15 . 1 1 27 27 ARG C C 27 178.376 178.376 177.683 0.693 19642 7323 1 15 . 1 1 27 27 ARG CA C 27 58.115 58.115 59.276 -1.161 19642 7324 1 15 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.469 0.072 19642 7325 1 15 . 1 1 27 27 ARG H H 27 8.362 8.362 8.538 -0.176 19642 7326 1 15 . 1 1 28 28 ASP N N 28 116.954 116.954 119.217 -2.263 19642 7327 1 15 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.423 0.038 19642 7328 1 15 . 1 1 28 28 ASP C C 28 180.328 180.328 178.448 1.880 19642 7329 1 15 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.332 0.195 19642 7330 1 15 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.226 1.338 19642 7331 1 15 . 1 1 28 28 ASP H H 28 7.688 7.688 8.412 -0.724 19642 7332 1 15 . 1 1 29 29 LEU N N 29 117.931 117.931 115.845 2.086 19642 7333 1 15 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.034 0.283 19642 7334 1 15 . 1 1 29 29 LEU C C 29 178.541 178.541 177.310 1.231 19642 7335 1 15 . 1 1 29 29 LEU CA C 29 56.849 56.849 55.942 0.907 19642 7336 1 15 . 1 1 29 29 LEU CB C 29 41.772 41.772 42.056 -0.284 19642 7337 1 15 . 1 1 29 29 LEU H H 29 7.173 7.173 7.688 -0.515 19642 7338 1 15 . 1 1 30 30 GLU N N 30 121.321 121.321 116.145 5.176 19642 7339 1 15 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.342 -0.554 19642 7340 1 15 . 1 1 30 30 GLU C C 30 179.497 179.497 177.856 1.641 19642 7341 1 15 . 1 1 30 30 GLU CA C 30 60.299 60.299 57.372 2.927 19642 7342 1 15 . 1 1 30 30 GLU CB C 30 29.672 29.672 30.278 -0.606 19642 7343 1 15 . 1 1 30 30 GLU H H 30 8.632 8.632 7.554 1.078 19642 7344 1 15 . 1 1 31 31 GLU N N 31 118.162 118.162 120.634 -2.472 19642 7345 1 15 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.169 -0.102 19642 7346 1 15 . 1 1 31 31 GLU C C 31 179.635 179.635 178.635 1.000 19642 7347 1 15 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.715 0.642 19642 7348 1 15 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.527 -0.031 19642 7349 1 15 . 1 1 31 31 GLU H H 31 8.405 8.405 8.621 -0.216 19642 7350 1 15 . 1 1 32 32 PHE N N 32 120.127 120.127 119.193 0.934 19642 7351 1 15 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.139 0.214 19642 7352 1 15 . 1 1 32 32 PHE C C 32 177.183 177.183 175.707 1.476 19642 7353 1 15 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.143 0.798 19642 7354 1 15 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.843 1.079 19642 7355 1 15 . 1 1 32 32 PHE H H 32 7.767 7.767 8.060 -0.293 19642 7356 1 15 . 1 1 33 33 PHE N N 33 112.879 112.879 112.912 -0.033 19642 7357 1 15 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.633 -0.382 19642 7358 1 15 . 1 1 33 33 PHE C C 33 177.304 177.304 177.681 -0.377 19642 7359 1 15 . 1 1 33 33 PHE CA C 33 61.179 61.179 56.223 4.956 19642 7360 1 15 . 1 1 33 33 PHE CB C 33 38.580 38.580 39.735 -1.155 19642 7361 1 15 . 1 1 33 33 PHE H H 33 8.489 8.489 7.361 1.128 19642 7362 1 15 . 1 1 34 34 SER N N 34 115.870 115.870 115.774 0.096 19642 7363 1 15 . 1 1 34 34 SER HA H 34 5.119 5.119 4.611 0.508 19642 7364 1 15 . 1 1 34 34 SER C C 34 175.464 175.464 176.217 -0.753 19642 7365 1 15 . 1 1 34 34 SER CA C 34 61.268 61.268 60.726 0.542 19642 7366 1 15 . 1 1 34 34 SER CB C 34 62.915 62.915 62.974 -0.059 19642 7367 1 15 . 1 1 34 34 SER H H 34 7.997 7.997 7.871 0.126 19642 7368 1 15 . 1 1 35 35 THR N N 35 110.934 110.934 112.383 -1.449 19642 7369 1 15 . 1 1 35 35 THR HA H 35 4.147 4.147 4.225 -0.078 19642 7370 1 15 . 1 1 35 35 THR C C 35 176.410 176.410 175.690 0.720 19642 7371 1 15 . 1 1 35 35 THR CA C 35 63.756 63.756 64.439 -0.683 19642 7372 1 15 . 1 1 35 35 THR CB C 35 68.802 68.802 69.326 -0.524 19642 7373 1 15 . 1 1 35 35 THR H H 35 7.188 7.188 8.243 -1.055 19642 7374 1 15 . 1 1 36 36 VAL N N 36 111.644 111.644 112.891 -1.247 19642 7375 1 15 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.691 -0.068 19642 7376 1 15 . 1 1 36 36 VAL C C 36 176.046 176.046 174.901 1.145 19642 7377 1 15 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.494 -1.022 19642 7378 1 15 . 1 1 36 36 VAL CB C 36 32.425 32.425 33.545 -1.120 19642 7379 1 15 . 1 1 36 36 VAL H H 36 7.665 7.665 7.607 0.058 19642 7380 1 15 . 1 1 37 37 GLY N N 37 109.343 109.343 107.500 1.843 19642 7381 1 15 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.661 -0.392 19642 7382 1 15 . 1 1 37 37 GLY H H 37 7.640 7.640 7.557 0.083 19642 7383 1 15 . 1 1 38 38 LYS N N 38 117.953 117.953 119.665 -1.712 19642 7384 1 15 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.553 -0.014 19642 7385 1 15 . 1 1 38 38 LYS CA C 38 55.724 55.724 54.863 0.861 19642 7386 1 15 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.690 -2.814 19642 7387 1 15 . 1 1 38 38 LYS H H 38 8.246 8.246 8.385 -0.139 19642 7388 1 15 . 1 1 39 39 VAL N N 39 128.639 128.639 123.834 4.805 19642 7389 1 15 . 1 1 39 39 VAL HA H 39 3.685 3.685 4.208 -0.523 19642 7390 1 15 . 1 1 39 39 VAL CA C 39 62.816 62.816 59.975 2.841 19642 7391 1 15 . 1 1 39 39 VAL CB C 39 32.992 32.992 34.509 -1.517 19642 7392 1 15 . 1 1 39 39 VAL H H 39 9.126 9.126 8.188 0.938 19642 7393 1 15 . 1 1 40 40 ARG N N 40 129.292 129.292 127.061 2.231 19642 7394 1 15 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.377 -0.098 19642 7395 1 15 . 1 1 40 40 ARG C C 40 175.643 175.643 175.813 -0.170 19642 7396 1 15 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.189 -0.855 19642 7397 1 15 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.659 0.001 19642 7398 1 15 . 1 1 40 40 ARG H H 40 9.573 9.573 8.858 0.715 19642 7399 1 15 . 1 1 41 41 ASP N N 41 116.255 116.255 114.352 1.903 19642 7400 1 15 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.823 0.017 19642 7401 1 15 . 1 1 41 41 ASP C C 41 173.674 173.674 173.718 -0.044 19642 7402 1 15 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.716 -0.011 19642 7403 1 15 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.517 0.386 19642 7404 1 15 . 1 1 41 41 ASP H H 41 7.762 7.762 7.583 0.179 19642 7405 1 15 . 1 1 42 42 VAL N N 42 122.442 122.442 118.590 3.852 19642 7406 1 15 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.735 -0.100 19642 7407 1 15 . 1 1 42 42 VAL C C 42 174.714 174.714 175.313 -0.599 19642 7408 1 15 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.235 0.039 19642 7409 1 15 . 1 1 42 42 VAL CB C 42 34.832 34.832 34.162 0.670 19642 7410 1 15 . 1 1 42 42 VAL H H 42 7.939 7.939 8.645 -0.706 19642 7411 1 15 . 1 1 43 43 ARG N N 43 126.687 126.687 126.875 -0.188 19642 7412 1 15 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.730 0.035 19642 7413 1 15 . 1 1 43 43 ARG C C 43 175.278 175.278 175.070 0.208 19642 7414 1 15 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.928 -0.551 19642 7415 1 15 . 1 1 43 43 ARG CB C 43 32.434 32.434 31.081 1.353 19642 7416 1 15 . 1 1 43 43 ARG H H 43 9.171 9.171 9.369 -0.198 19642 7417 1 15 . 1 1 44 44 MET N N 44 123.092 123.092 123.092 0.000 19642 7418 1 15 . 1 1 44 44 MET HA H 44 4.906 4.906 4.702 0.204 19642 7419 1 15 . 1 1 44 44 MET C C 44 176.360 176.360 176.470 -0.110 19642 7420 1 15 . 1 1 44 44 MET CA C 44 53.152 53.152 55.749 -2.597 19642 7421 1 15 . 1 1 44 44 MET CB C 44 32.940 32.940 34.426 -1.486 19642 7422 1 15 . 1 1 44 44 MET H H 44 8.939 8.939 8.732 0.207 19642 7423 1 15 . 1 1 45 45 ILE N N 45 124.146 124.146 126.139 -1.993 19642 7424 1 15 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.363 0.097 19642 7425 1 15 . 1 1 45 45 ILE C C 45 175.961 175.961 174.663 1.298 19642 7426 1 15 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.972 -1.025 19642 7427 1 15 . 1 1 45 45 ILE CB C 45 38.193 38.193 37.660 0.533 19642 7428 1 15 . 1 1 45 45 ILE H H 45 8.319 8.319 8.285 0.034 19642 7429 1 15 . 1 1 46 46 SER N N 46 121.541 121.541 123.526 -1.985 19642 7430 1 15 . 1 1 46 46 SER HA H 46 4.709 4.709 4.601 0.108 19642 7431 1 15 . 1 1 46 46 SER C C 46 174.061 174.061 173.373 0.688 19642 7432 1 15 . 1 1 46 46 SER CA C 46 57.381 57.381 59.102 -1.721 19642 7433 1 15 . 1 1 46 46 SER CB C 46 64.273 64.273 64.821 -0.548 19642 7434 1 15 . 1 1 46 46 SER H H 46 8.653 8.653 8.551 0.102 19642 7435 1 15 . 1 1 47 47 ASP N N 47 123.132 123.132 122.880 0.252 19642 7436 1 15 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.770 -0.112 19642 7437 1 15 . 1 1 47 47 ASP C C 47 177.203 177.203 176.255 0.948 19642 7438 1 15 . 1 1 47 47 ASP CA C 47 53.662 53.662 54.495 -0.833 19642 7439 1 15 . 1 1 47 47 ASP CB C 47 41.920 41.920 41.276 0.644 19642 7440 1 15 . 1 1 47 47 ASP H H 47 8.598 8.598 8.349 0.249 19642 7441 1 15 . 1 1 48 48 ARG N N 48 122.881 122.881 119.711 3.170 19642 7442 1 15 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.803 -0.596 19642 7443 1 15 . 1 1 48 48 ARG C C 48 177.090 177.090 176.576 0.514 19642 7444 1 15 . 1 1 48 48 ARG CA C 48 57.206 57.206 56.780 0.426 19642 7445 1 15 . 1 1 48 48 ARG CB C 48 29.775 29.775 30.771 -0.997 19642 7446 1 15 . 1 1 48 48 ARG H H 48 8.648 8.648 8.043 0.605 19642 7447 1 15 . 1 1 49 49 ASN N N 49 117.245 117.245 115.628 1.617 19642 7448 1 15 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.770 -0.024 19642 7449 1 15 . 1 1 49 49 ASN C C 49 175.822 175.822 174.420 1.402 19642 7450 1 15 . 1 1 49 49 ASN CA C 49 53.592 53.592 53.164 0.428 19642 7451 1 15 . 1 1 49 49 ASN CB C 49 38.910 38.910 39.879 -0.969 19642 7452 1 15 . 1 1 49 49 ASN H H 49 8.502 8.502 8.234 0.268 19642 7453 1 15 . 1 1 50 50 SER N N 50 114.891 114.891 114.965 -0.074 19642 7454 1 15 . 1 1 50 50 SER HA H 50 4.429 4.429 4.277 0.152 19642 7455 1 15 . 1 1 50 50 SER C C 50 175.339 175.339 174.009 1.330 19642 7456 1 15 . 1 1 50 50 SER CA C 50 58.396 58.396 59.584 -1.188 19642 7457 1 15 . 1 1 50 50 SER CB C 50 63.681 63.681 62.837 0.844 19642 7458 1 15 . 1 1 50 50 SER H H 50 8.158 8.158 8.313 -0.155 19642 7459 1 15 . 1 1 51 51 ARG N N 51 120.957 120.957 119.078 1.879 19642 7460 1 15 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.490 -0.201 19642 7461 1 15 . 1 1 51 51 ARG C C 51 176.845 176.845 175.893 0.952 19642 7462 1 15 . 1 1 51 51 ARG CA C 51 56.672 56.672 55.992 0.680 19642 7463 1 15 . 1 1 51 51 ARG CB C 51 29.620 29.620 31.098 -1.478 19642 7464 1 15 . 1 1 51 51 ARG H H 51 8.451 8.451 8.152 0.299 19642 7465 1 15 . 1 1 52 52 ARG N N 52 119.405 119.405 119.632 -0.227 19642 7466 1 15 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.741 -0.321 19642 7467 1 15 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.312 -0.547 19642 7468 1 15 . 1 1 52 52 ARG CB C 52 30.875 30.875 31.190 -0.315 19642 7469 1 15 . 1 1 52 52 ARG H H 52 8.159 8.159 8.069 0.090 19642 7470 1 15 . 1 1 53 53 SER N N 53 116.328 116.328 115.995 0.333 19642 7471 1 15 . 1 1 53 53 SER HA H 53 4.492 4.492 4.574 -0.082 19642 7472 1 15 . 1 1 53 53 SER CA C 53 58.142 58.142 58.153 -0.011 19642 7473 1 15 . 1 1 53 53 SER CB C 53 63.447 63.447 64.528 -1.081 19642 7474 1 15 . 1 1 53 53 SER H H 53 8.370 8.370 8.150 0.220 19642 7475 1 15 . 1 1 54 54 LYS N N 54 122.099 122.099 121.459 0.640 19642 7476 1 15 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.258 0.241 19642 7477 1 15 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.131 -1.568 19642 7478 1 15 . 1 1 54 54 LYS CB C 54 33.079 33.079 32.340 0.739 19642 7479 1 15 . 1 1 54 54 LYS H H 54 8.374 8.374 8.060 0.314 19642 7480 1 15 . 1 1 55 55 GLY N N 55 109.513 109.513 108.602 0.911 19642 7481 1 15 . 1 1 55 55 GLY C C 55 172.962 172.962 172.837 0.125 19642 7482 1 15 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.728 1.166 19642 7483 1 15 . 1 1 55 55 GLY H H 55 8.592 8.592 8.117 0.475 19642 7484 1 15 . 1 1 56 56 ILE N N 56 114.180 114.180 117.850 -3.670 19642 7485 1 15 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.329 -0.317 19642 7486 1 15 . 1 1 56 56 ILE C C 56 175.172 175.172 173.513 1.659 19642 7487 1 15 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.994 -1.263 19642 7488 1 15 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.877 0.285 19642 7489 1 15 . 1 1 56 56 ILE H H 56 7.618 7.618 7.746 -0.128 19642 7490 1 15 . 1 1 57 57 ALA N N 57 121.556 121.556 125.336 -3.780 19642 7491 1 15 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.362 -0.242 19642 7492 1 15 . 1 1 57 57 ALA C C 57 175.094 175.094 175.008 0.086 19642 7493 1 15 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.255 -0.556 19642 7494 1 15 . 1 1 57 57 ALA CB C 57 24.170 24.170 23.156 1.014 19642 7495 1 15 . 1 1 57 57 ALA H H 57 8.308 8.308 8.279 0.029 19642 7496 1 15 . 1 1 58 58 TYR N N 58 118.387 118.387 118.631 -0.244 19642 7497 1 15 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.696 -0.215 19642 7498 1 15 . 1 1 58 58 TYR C C 58 175.537 175.537 174.862 0.675 19642 7499 1 15 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.309 0.205 19642 7500 1 15 . 1 1 58 58 TYR CB C 58 40.607 40.607 42.532 -1.925 19642 7501 1 15 . 1 1 58 58 TYR H H 58 8.971 8.971 9.190 -0.219 19642 7502 1 15 . 1 1 59 59 VAL N N 59 122.978 122.978 121.739 1.239 19642 7503 1 15 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.536 -0.160 19642 7504 1 15 . 1 1 59 59 VAL C C 59 172.631 172.631 174.744 -2.113 19642 7505 1 15 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.528 -0.311 19642 7506 1 15 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.879 -1.304 19642 7507 1 15 . 1 1 59 59 VAL H H 59 8.828 8.828 9.377 -0.549 19642 7508 1 15 . 1 1 60 60 GLU N N 60 128.557 128.557 128.813 -0.256 19642 7509 1 15 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.582 0.269 19642 7510 1 15 . 1 1 60 60 GLU C C 60 176.210 176.210 175.698 0.512 19642 7511 1 15 . 1 1 60 60 GLU CA C 60 53.842 53.842 54.426 -0.584 19642 7512 1 15 . 1 1 60 60 GLU CB C 60 33.103 33.103 29.755 3.349 19642 7513 1 15 . 1 1 60 60 GLU H H 60 8.774 8.774 8.683 0.091 19642 7514 1 15 . 1 1 61 61 PHE N N 61 126.659 126.659 123.753 2.906 19642 7515 1 15 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.166 0.750 19642 7516 1 15 . 1 1 61 61 PHE C C 61 176.011 176.011 175.943 0.068 19642 7517 1 15 . 1 1 61 61 PHE CA C 61 58.586 58.586 60.776 -2.190 19642 7518 1 15 . 1 1 61 61 PHE CB C 61 41.038 41.038 39.598 1.440 19642 7519 1 15 . 1 1 61 61 PHE H H 61 9.340 9.340 8.229 1.111 19642 7520 1 15 . 1 1 62 62 VAL N N 62 118.280 118.280 121.253 -2.973 19642 7521 1 15 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.952 -0.209 19642 7522 1 15 . 1 1 62 62 VAL C C 62 176.097 176.097 175.699 0.398 19642 7523 1 15 . 1 1 62 62 VAL CA C 62 65.785 65.785 64.401 1.384 19642 7524 1 15 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.347 0.464 19642 7525 1 15 . 1 1 62 62 VAL H H 62 8.184 8.184 8.602 -0.418 19642 7526 1 15 . 1 1 63 63 ASP N N 63 118.269 118.269 116.739 1.530 19642 7527 1 15 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.948 0.244 19642 7528 1 15 . 1 1 63 63 ASP C C 63 176.648 176.648 176.499 0.149 19642 7529 1 15 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.387 0.252 19642 7530 1 15 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.626 0.943 19642 7531 1 15 . 1 1 63 63 ASP H H 63 8.708 8.708 8.101 0.607 19642 7532 1 15 . 1 1 64 64 VAL N N 64 121.961 121.961 124.072 -2.111 19642 7533 1 15 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.817 -0.006 19642 7534 1 15 . 1 1 64 64 VAL C C 64 178.439 178.439 176.736 1.703 19642 7535 1 15 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.871 -0.052 19642 7536 1 15 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.066 -0.016 19642 7537 1 15 . 1 1 64 64 VAL H H 64 8.609 8.609 8.739 -0.130 19642 7538 1 15 . 1 1 65 65 SER N N 65 115.305 115.305 116.567 -1.262 19642 7539 1 15 . 1 1 65 65 SER HA H 65 4.143 4.143 4.258 -0.115 19642 7540 1 15 . 1 1 65 65 SER C C 65 176.285 176.285 175.079 1.206 19642 7541 1 15 . 1 1 65 65 SER CA C 65 60.158 60.158 61.059 -0.901 19642 7542 1 15 . 1 1 65 65 SER CB C 65 62.066 62.066 63.100 -1.034 19642 7543 1 15 . 1 1 65 65 SER H H 65 8.492 8.492 8.165 0.327 19642 7544 1 15 . 1 1 66 66 SER N N 66 116.053 116.053 116.511 -0.458 19642 7545 1 15 . 1 1 66 66 SER HA H 66 4.024 4.024 4.249 -0.225 19642 7546 1 15 . 1 1 66 66 SER C C 66 174.528 174.528 174.688 -0.160 19642 7547 1 15 . 1 1 66 66 SER CA C 66 60.749 60.749 59.260 1.489 19642 7548 1 15 . 1 1 66 66 SER CB C 66 63.063 63.063 62.656 0.407 19642 7549 1 15 . 1 1 66 66 SER H H 66 7.414 7.414 7.433 -0.019 19642 7550 1 15 . 1 1 67 67 VAL N N 67 119.830 119.830 122.674 -2.844 19642 7551 1 15 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.583 -0.263 19642 7552 1 15 . 1 1 67 67 VAL CA C 67 69.038 69.038 67.634 1.404 19642 7553 1 15 . 1 1 67 67 VAL CB C 67 29.198 29.198 28.886 0.312 19642 7554 1 15 . 1 1 67 67 VAL H H 67 7.611 7.611 8.037 -0.426 19642 7555 1 15 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.287 -0.022 19642 7556 1 15 . 1 1 68 68 PRO C C 68 180.457 180.457 178.082 2.375 19642 7557 1 15 . 1 1 68 68 PRO CA C 68 65.072 65.072 64.567 0.505 19642 7558 1 15 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.107 -0.369 19642 7559 1 15 . 1 1 69 69 LEU N N 69 115.334 115.334 120.476 -5.142 19642 7560 1 15 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.996 0.103 19642 7561 1 15 . 1 1 69 69 LEU C C 69 179.450 179.450 178.331 1.119 19642 7562 1 15 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.203 -0.760 19642 7563 1 15 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.640 -0.518 19642 7564 1 15 . 1 1 69 69 LEU H H 69 6.284 6.284 7.443 -1.159 19642 7565 1 15 . 1 1 70 70 ALA N N 70 122.703 122.703 120.940 1.763 19642 7566 1 15 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.029 0.146 19642 7567 1 15 . 1 1 70 70 ALA C C 70 180.611 180.611 180.200 0.411 19642 7568 1 15 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.717 0.178 19642 7569 1 15 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.810 1.734 19642 7570 1 15 . 1 1 70 70 ALA H H 70 8.342 8.342 7.376 0.966 19642 7571 1 15 . 1 1 71 71 ILE N N 71 118.692 118.692 119.021 -0.329 19642 7572 1 15 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.732 0.533 19642 7573 1 15 . 1 1 71 71 ILE C C 71 179.971 179.971 177.869 2.102 19642 7574 1 15 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.603 0.514 19642 7575 1 15 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.659 0.941 19642 7576 1 15 . 1 1 71 71 ILE H H 71 8.255 8.255 7.540 0.715 19642 7577 1 15 . 1 1 72 72 GLY N N 72 106.417 106.417 105.534 0.883 19642 7578 1 15 . 1 1 72 72 GLY C C 72 174.590 174.590 175.110 -0.520 19642 7579 1 15 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.181 -0.291 19642 7580 1 15 . 1 1 72 72 GLY H H 72 7.635 7.635 7.911 -0.276 19642 7581 1 15 . 1 1 73 73 LEU N N 73 120.383 120.383 119.765 0.618 19642 7582 1 15 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.561 -0.150 19642 7583 1 15 . 1 1 73 73 LEU C C 73 176.338 176.338 177.995 -1.657 19642 7584 1 15 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.299 0.650 19642 7585 1 15 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.608 -1.015 19642 7586 1 15 . 1 1 73 73 LEU H H 73 7.767 7.767 7.376 0.391 19642 7587 1 15 . 1 1 74 74 THR N N 74 115.157 115.157 116.066 -0.909 19642 7588 1 15 . 1 1 74 74 THR HA H 74 4.060 4.060 4.274 -0.214 19642 7589 1 15 . 1 1 74 74 THR C C 74 175.656 175.656 175.656 0.000 19642 7590 1 15 . 1 1 74 74 THR CA C 74 66.177 66.177 65.447 0.730 19642 7591 1 15 . 1 1 74 74 THR CB C 74 69.821 69.821 68.699 1.122 19642 7592 1 15 . 1 1 74 74 THR H H 74 7.731 7.731 7.617 0.114 19642 7593 1 15 . 1 1 75 75 GLY N N 75 117.587 117.587 107.759 9.828 19642 7594 1 15 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.329 0.296 19642 7595 1 15 . 1 1 75 75 GLY H H 75 9.519 9.519 8.255 1.264 19642 7596 1 15 . 1 1 76 76 GLN N N 76 120.027 120.027 119.044 0.983 19642 7597 1 15 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.773 -0.459 19642 7598 1 15 . 1 1 76 76 GLN C C 76 175.015 175.015 173.948 1.067 19642 7599 1 15 . 1 1 76 76 GLN CA C 76 55.819 55.819 53.910 1.909 19642 7600 1 15 . 1 1 76 76 GLN CB C 76 28.220 28.220 31.072 -2.852 19642 7601 1 15 . 1 1 76 76 GLN H H 76 8.319 8.319 7.897 0.422 19642 7602 1 15 . 1 1 77 77 ARG N N 77 118.759 118.759 117.090 1.669 19642 7603 1 15 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.634 -0.503 19642 7604 1 15 . 1 1 77 77 ARG C C 77 176.209 176.209 174.698 1.511 19642 7605 1 15 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.060 1.031 19642 7606 1 15 . 1 1 77 77 ARG CB C 77 31.364 31.364 33.023 -1.659 19642 7607 1 15 . 1 1 77 77 ARG H H 77 8.544 8.544 8.707 -0.163 19642 7608 1 15 . 1 1 78 78 VAL N N 78 123.886 123.886 125.423 -1.537 19642 7609 1 15 . 1 1 78 78 VAL HA H 78 3.835 3.835 4.021 -0.186 19642 7610 1 15 . 1 1 78 78 VAL C C 78 176.570 176.570 175.660 0.910 19642 7611 1 15 . 1 1 78 78 VAL CA C 78 61.470 61.470 62.018 -0.548 19642 7612 1 15 . 1 1 78 78 VAL CB C 78 32.202 32.202 30.978 1.224 19642 7613 1 15 . 1 1 78 78 VAL H H 78 8.015 8.015 7.909 0.106 19642 7614 1 15 . 1 1 79 79 LEU N N 79 129.331 129.331 126.983 2.348 19642 7615 1 15 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.981 -0.149 19642 7616 1 15 . 1 1 79 79 LEU CA C 79 55.773 55.773 56.102 -0.329 19642 7617 1 15 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.965 -0.424 19642 7618 1 15 . 1 1 79 79 LEU H H 79 9.570 9.570 8.545 1.025 19642 7619 1 15 . 1 1 80 80 GLY N N 80 100.301 100.301 102.780 -2.479 19642 7620 1 15 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.774 0.455 19642 7621 1 15 . 1 1 80 80 GLY H H 80 8.316 8.316 7.772 0.544 19642 7622 1 15 . 1 1 81 81 VAL N N 81 122.763 122.763 122.981 -0.218 19642 7623 1 15 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.474 0.163 19642 7624 1 15 . 1 1 81 81 VAL CA C 81 59.355 59.355 59.402 -0.047 19642 7625 1 15 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.610 3.287 19642 7626 1 15 . 1 1 81 81 VAL H H 81 7.632 7.632 7.896 -0.264 19642 7627 1 15 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.762 -0.430 19642 7628 1 15 . 1 1 82 82 PRO C C 82 175.005 175.005 175.893 -0.888 19642 7629 1 15 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.136 0.367 19642 7630 1 15 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.870 -1.590 19642 7631 1 15 . 1 1 83 83 ILE N N 83 126.022 126.022 116.865 9.157 19642 7632 1 15 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.364 0.262 19642 7633 1 15 . 1 1 83 83 ILE C C 83 175.679 175.679 174.402 1.277 19642 7634 1 15 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.589 2.380 19642 7635 1 15 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.361 -0.448 19642 7636 1 15 . 1 1 83 83 ILE H H 83 8.391 8.391 7.690 0.701 19642 7637 1 15 . 1 1 84 84 ILE N N 84 125.284 125.284 122.437 2.847 19642 7638 1 15 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.447 -0.014 19642 7639 1 15 . 1 1 84 84 ILE C C 84 174.418 174.418 177.562 -3.144 19642 7640 1 15 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.199 2.114 19642 7641 1 15 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.663 1.237 19642 7642 1 15 . 1 1 84 84 ILE H H 84 7.842 7.842 8.346 -0.504 19642 7643 1 15 . 1 1 85 85 VAL N N 85 128.143 128.143 120.063 8.080 19642 7644 1 15 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.852 -0.235 19642 7645 1 15 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.081 0.806 19642 7646 1 15 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.824 2.245 19642 7647 1 15 . 1 1 85 85 VAL H H 85 8.400 8.400 8.335 0.065 19642 7648 1 15 . 1 1 86 86 GLN N N 86 122.965 122.965 120.210 2.755 19642 7649 1 15 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.150 0.753 19642 7650 1 15 . 1 1 86 86 GLN C C 86 175.590 175.590 176.905 -1.315 19642 7651 1 15 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.480 3.276 19642 7652 1 15 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.517 5.497 19642 7653 1 15 . 1 1 86 86 GLN H H 86 9.242 9.242 7.833 1.409 19642 7654 1 15 . 1 1 87 87 ALA N N 87 123.174 123.174 119.213 3.961 19642 7655 1 15 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.005 0.351 19642 7656 1 15 . 1 1 87 87 ALA C C 87 178.095 178.095 177.156 0.939 19642 7657 1 15 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.569 0.256 19642 7658 1 15 . 1 1 87 87 ALA CB C 87 18.534 18.534 17.738 0.796 19642 7659 1 15 . 1 1 87 87 ALA H H 87 8.907 8.907 8.318 0.589 19642 7660 1 15 . 1 1 88 88 SER N N 88 114.952 114.952 112.991 1.961 19642 7661 1 15 . 1 1 88 88 SER HA H 88 4.294 4.294 4.216 0.078 19642 7662 1 15 . 1 1 88 88 SER C C 88 175.470 175.470 174.629 0.841 19642 7663 1 15 . 1 1 88 88 SER CA C 88 59.617 59.617 59.835 -0.218 19642 7664 1 15 . 1 1 88 88 SER CB C 88 63.409 63.409 63.502 -0.093 19642 7665 1 15 . 1 1 88 88 SER H H 88 8.343 8.343 8.324 0.019 19642 7666 1 15 . 1 1 89 89 GLN N N 89 121.151 121.151 118.038 3.113 19642 7667 1 15 . 1 1 89 89 GLN HA H 89 4.313 4.313 3.960 0.353 19642 7668 1 15 . 1 1 89 89 GLN C C 89 175.838 175.838 174.448 1.390 19642 7669 1 15 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.848 -1.562 19642 7670 1 15 . 1 1 89 89 GLN CB C 89 29.333 29.333 27.672 1.661 19642 7671 1 15 . 1 1 89 89 GLN H H 89 8.348 8.348 8.488 -0.140 19642 7672 1 15 . 1 1 90 90 ALA N N 90 124.942 124.942 121.667 3.275 19642 7673 1 15 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.521 -0.318 19642 7674 1 15 . 1 1 90 90 ALA C C 90 178.381 178.381 178.010 0.371 19642 7675 1 15 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.541 1.221 19642 7676 1 15 . 1 1 90 90 ALA CB C 90 19.071 19.071 19.999 -0.928 19642 7677 1 15 . 1 1 90 90 ALA H H 90 8.245 8.245 7.750 0.495 19642 7678 1 15 . 1 1 91 91 GLU N N 91 119.604 119.604 120.498 -0.894 19642 7679 1 15 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.160 -0.007 19642 7680 1 15 . 1 1 91 91 GLU C C 91 176.986 176.986 176.751 0.235 19642 7681 1 15 . 1 1 91 91 GLU CA C 91 56.535 56.535 57.182 -0.647 19642 7682 1 15 . 1 1 91 91 GLU CB C 91 30.029 30.029 29.411 0.618 19642 7683 1 15 . 1 1 91 91 GLU H H 91 8.414 8.414 8.698 -0.284 19642 7684 1 15 . 1 1 92 92 LYS N N 92 121.284 121.284 118.279 3.005 19642 7685 1 15 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.133 0.157 19642 7686 1 15 . 1 1 92 92 LYS C C 92 176.699 176.699 177.035 -0.336 19642 7687 1 15 . 1 1 92 92 LYS CA C 92 56.042 56.042 56.699 -0.657 19642 7688 1 15 . 1 1 92 92 LYS CB C 92 32.705 32.705 32.050 0.655 19642 7689 1 15 . 1 1 92 92 LYS H H 92 8.212 8.212 7.657 0.555 19642 7690 1 15 . 1 1 93 93 ASN N N 93 119.221 119.221 118.147 1.074 19642 7691 1 15 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.671 0.029 19642 7692 1 15 . 1 1 93 93 ASN C C 93 174.424 174.424 175.382 -0.958 19642 7693 1 15 . 1 1 93 93 ASN CA C 93 53.110 53.110 52.785 0.325 19642 7694 1 15 . 1 1 93 93 ASN CB C 93 38.726 38.726 37.177 1.549 19642 7695 1 15 . 1 1 93 93 ASN H H 93 8.370 8.370 8.030 0.340 19642 7696 1 16 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.329 0.364 19642 7697 1 16 . 1 1 2 2 HIS C C 2 175.244 175.244 173.638 1.606 19642 7698 1 16 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.947 -1.098 19642 7699 1 16 . 1 1 2 2 HIS CB C 2 30.165 30.165 29.195 0.970 19642 7700 1 16 . 1 1 3 3 MET HA H 3 4.464 4.464 4.323 0.141 19642 7701 1 16 . 1 1 3 3 MET C C 3 175.896 175.896 175.296 0.600 19642 7702 1 16 . 1 1 3 3 MET CA C 3 55.188 55.188 55.495 -0.307 19642 7703 1 16 . 1 1 3 3 MET CB C 3 32.736 32.736 34.190 -1.454 19642 7704 1 16 . 1 1 4 4 ASN N N 4 120.610 120.610 119.246 1.364 19642 7705 1 16 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.851 -0.099 19642 7706 1 16 . 1 1 4 4 ASN C C 4 175.033 175.033 173.965 1.068 19642 7707 1 16 . 1 1 4 4 ASN CA C 4 52.728 52.728 52.401 0.327 19642 7708 1 16 . 1 1 4 4 ASN CB C 4 38.604 38.604 39.888 -1.284 19642 7709 1 16 . 1 1 4 4 ASN H H 4 8.564 8.564 8.052 0.512 19642 7710 1 16 . 1 1 5 5 LEU N N 5 122.314 122.314 123.007 -0.693 19642 7711 1 16 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.306 0.304 19642 7712 1 16 . 1 1 5 5 LEU C C 5 178.178 178.178 177.487 0.691 19642 7713 1 16 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.916 -0.611 19642 7714 1 16 . 1 1 5 5 LEU CB C 5 43.343 43.343 41.775 1.568 19642 7715 1 16 . 1 1 5 5 LEU H H 5 8.046 8.046 8.312 -0.266 19642 7716 1 16 . 1 1 6 6 THR N N 6 115.483 115.483 120.348 -4.865 19642 7717 1 16 . 1 1 6 6 THR HA H 6 4.626 4.626 4.627 -0.001 19642 7718 1 16 . 1 1 6 6 THR CA C 6 60.039 60.039 59.700 0.339 19642 7719 1 16 . 1 1 6 6 THR CB C 6 68.119 68.119 70.645 -2.526 19642 7720 1 16 . 1 1 6 6 THR H H 6 8.948 8.948 8.340 0.608 19642 7721 1 16 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.282 -0.139 19642 7722 1 16 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.195 0.378 19642 7723 1 16 . 1 1 7 7 PRO CB C 7 31.640 31.640 32.098 -0.458 19642 7724 1 16 . 1 1 8 8 GLU N N 8 116.691 116.691 119.245 -2.554 19642 7725 1 16 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.058 0.053 19642 7726 1 16 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.443 0.129 19642 7727 1 16 . 1 1 8 8 GLU CB C 8 28.889 28.889 28.965 -0.076 19642 7728 1 16 . 1 1 8 8 GLU H H 8 8.753 8.753 8.056 0.697 19642 7729 1 16 . 1 1 9 9 GLU N N 9 121.235 121.235 118.746 2.489 19642 7730 1 16 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.016 0.025 19642 7731 1 16 . 1 1 9 9 GLU C C 9 180.194 180.194 178.216 1.978 19642 7732 1 16 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.276 -0.749 19642 7733 1 16 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.369 1.197 19642 7734 1 16 . 1 1 9 9 GLU H H 9 7.823 7.823 8.591 -0.768 19642 7735 1 16 . 1 1 10 10 ARG N N 10 120.373 120.373 115.600 4.773 19642 7736 1 16 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.188 -0.301 19642 7737 1 16 . 1 1 10 10 ARG C C 10 180.714 180.714 177.713 3.001 19642 7738 1 16 . 1 1 10 10 ARG CA C 10 59.785 59.785 57.872 1.913 19642 7739 1 16 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.145 -0.274 19642 7740 1 16 . 1 1 10 10 ARG H H 10 8.363 8.363 7.470 0.893 19642 7741 1 16 . 1 1 11 11 ASP N N 11 123.103 123.103 120.501 2.602 19642 7742 1 16 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.519 -0.205 19642 7743 1 16 . 1 1 11 11 ASP C C 11 179.081 179.081 177.394 1.687 19642 7744 1 16 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.436 1.247 19642 7745 1 16 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.571 -1.549 19642 7746 1 16 . 1 1 11 11 ASP H H 11 8.709 8.709 7.555 1.154 19642 7747 1 16 . 1 1 12 12 ALA N N 12 119.926 119.926 122.135 -2.209 19642 7748 1 16 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.281 -0.038 19642 7749 1 16 . 1 1 12 12 ALA C C 12 177.593 177.593 177.028 0.565 19642 7750 1 16 . 1 1 12 12 ALA CA C 12 53.808 53.808 51.896 1.912 19642 7751 1 16 . 1 1 12 12 ALA CB C 12 18.341 18.341 17.539 0.802 19642 7752 1 16 . 1 1 12 12 ALA H H 12 7.615 7.615 7.890 -0.275 19642 7753 1 16 . 1 1 13 13 ARG N N 13 113.504 113.504 118.845 -5.341 19642 7754 1 16 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.412 0.015 19642 7755 1 16 . 1 1 13 13 ARG C C 13 174.905 174.905 176.591 -1.686 19642 7756 1 16 . 1 1 13 13 ARG CA C 13 55.588 55.588 55.209 0.379 19642 7757 1 16 . 1 1 13 13 ARG CB C 13 30.789 30.789 29.821 0.968 19642 7758 1 16 . 1 1 13 13 ARG H H 13 7.204 7.204 7.833 -0.629 19642 7759 1 16 . 1 1 14 14 THR N N 14 117.103 117.103 114.409 2.694 19642 7760 1 16 . 1 1 14 14 THR HA H 14 5.589 5.589 4.658 0.931 19642 7761 1 16 . 1 1 14 14 THR C C 14 174.610 174.610 174.821 -0.211 19642 7762 1 16 . 1 1 14 14 THR CA C 14 61.993 61.993 62.526 -0.533 19642 7763 1 16 . 1 1 14 14 THR CB C 14 70.185 70.185 69.871 0.314 19642 7764 1 16 . 1 1 14 14 THR H H 14 7.685 7.685 7.685 -0.000 19642 7765 1 16 . 1 1 15 15 VAL N N 15 117.127 117.127 118.726 -1.599 19642 7766 1 16 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.535 0.545 19642 7767 1 16 . 1 1 15 15 VAL C C 15 173.786 173.786 173.966 -0.180 19642 7768 1 16 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.794 -1.209 19642 7769 1 16 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.653 0.170 19642 7770 1 16 . 1 1 15 15 VAL H H 15 9.154 9.154 8.650 0.504 19642 7771 1 16 . 1 1 16 16 PHE N N 16 122.697 122.697 121.989 0.708 19642 7772 1 16 . 1 1 16 16 PHE HA H 16 5.183 5.183 5.046 0.137 19642 7773 1 16 . 1 1 16 16 PHE C C 16 174.520 174.520 174.779 -0.259 19642 7774 1 16 . 1 1 16 16 PHE CA C 16 54.981 54.981 55.787 -0.806 19642 7775 1 16 . 1 1 16 16 PHE CB C 16 42.266 42.266 40.266 2.000 19642 7776 1 16 . 1 1 16 16 PHE H H 16 9.359 9.359 8.602 0.757 19642 7777 1 16 . 1 1 17 17 CYS N N 17 122.356 122.356 128.726 -6.370 19642 7778 1 16 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.458 1.109 19642 7779 1 16 . 1 1 17 17 CYS C C 17 173.018 173.018 174.039 -1.021 19642 7780 1 16 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.268 -2.560 19642 7781 1 16 . 1 1 17 17 CYS CB C 17 30.776 30.776 26.426 4.350 19642 7782 1 16 . 1 1 17 17 CYS H H 17 8.931 8.931 9.220 -0.289 19642 7783 1 16 . 1 1 18 18 MET N N 18 117.884 117.884 121.387 -3.503 19642 7784 1 16 . 1 1 18 18 MET HA H 18 4.846 4.846 4.001 0.845 19642 7785 1 16 . 1 1 18 18 MET C C 18 173.706 173.706 174.957 -1.251 19642 7786 1 16 . 1 1 18 18 MET CA C 18 53.623 53.623 55.395 -1.772 19642 7787 1 16 . 1 1 18 18 MET CB C 18 31.772 31.772 31.045 0.727 19642 7788 1 16 . 1 1 18 18 MET H H 18 8.818 8.818 7.302 1.516 19642 7789 1 16 . 1 1 19 19 GLN N N 19 115.022 115.022 119.717 -4.695 19642 7790 1 16 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.394 -0.696 19642 7791 1 16 . 1 1 19 19 GLN C C 19 173.403 173.403 174.356 -0.953 19642 7792 1 16 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.309 2.700 19642 7793 1 16 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.834 -1.912 19642 7794 1 16 . 1 1 19 19 GLN H H 19 8.463 8.463 7.383 1.080 19642 7795 1 16 . 1 1 20 20 LEU N N 20 116.032 116.032 120.306 -4.274 19642 7796 1 16 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.369 -0.115 19642 7797 1 16 . 1 1 20 20 LEU C C 20 177.827 177.827 177.047 0.780 19642 7798 1 16 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.839 -2.244 19642 7799 1 16 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.553 0.704 19642 7800 1 16 . 1 1 20 20 LEU H H 20 7.685 7.685 7.305 0.380 19642 7801 1 16 . 1 1 21 21 ALA N N 21 125.644 125.644 122.017 3.627 19642 7802 1 16 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.536 -0.391 19642 7803 1 16 . 1 1 21 21 ALA C C 21 178.868 178.868 176.608 2.260 19642 7804 1 16 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.703 -0.042 19642 7805 1 16 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.154 -0.800 19642 7806 1 16 . 1 1 21 21 ALA H H 21 9.473 9.473 8.009 1.464 19642 7807 1 16 . 1 1 22 22 ALA N N 22 124.495 124.495 120.297 4.198 19642 7808 1 16 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.583 -0.474 19642 7809 1 16 . 1 1 22 22 ALA C C 22 179.705 179.705 178.170 1.535 19642 7810 1 16 . 1 1 22 22 ALA CA C 22 54.560 54.560 52.439 2.121 19642 7811 1 16 . 1 1 22 22 ALA CB C 22 18.358 18.358 19.396 -1.038 19642 7812 1 16 . 1 1 22 22 ALA H H 22 8.583 8.583 8.396 0.187 19642 7813 1 16 . 1 1 23 23 ARG N N 23 111.716 111.716 119.634 -7.918 19642 7814 1 16 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.602 -0.234 19642 7815 1 16 . 1 1 23 23 ARG C C 23 176.243 176.243 175.036 1.207 19642 7816 1 16 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.111 0.025 19642 7817 1 16 . 1 1 23 23 ARG CB C 23 29.161 29.161 29.530 -0.369 19642 7818 1 16 . 1 1 23 23 ARG H H 23 7.905 7.905 8.024 -0.119 19642 7819 1 16 . 1 1 24 24 ILE N N 24 121.734 121.734 121.313 0.421 19642 7820 1 16 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.216 -0.324 19642 7821 1 16 . 1 1 24 24 ILE C C 24 173.297 173.297 176.382 -3.085 19642 7822 1 16 . 1 1 24 24 ILE CA C 24 61.336 61.336 61.508 -0.172 19642 7823 1 16 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.891 -0.140 19642 7824 1 16 . 1 1 24 24 ILE H H 24 7.270 7.270 7.825 -0.555 19642 7825 1 16 . 1 1 25 25 ARG N N 25 125.810 125.810 128.264 -2.454 19642 7826 1 16 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.652 0.303 19642 7827 1 16 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.739 -1.322 19642 7828 1 16 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.362 0.602 19642 7829 1 16 . 1 1 25 25 ARG H H 25 8.994 8.994 8.560 0.434 19642 7830 1 16 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.284 -0.224 19642 7831 1 16 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.625 1.047 19642 7832 1 16 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.029 -0.569 19642 7833 1 16 . 1 1 27 27 ARG N N 27 114.118 114.118 118.008 -3.890 19642 7834 1 16 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.216 0.024 19642 7835 1 16 . 1 1 27 27 ARG C C 27 178.376 178.376 177.427 0.949 19642 7836 1 16 . 1 1 27 27 ARG CA C 27 58.115 58.115 59.312 -1.197 19642 7837 1 16 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.888 -0.347 19642 7838 1 16 . 1 1 27 27 ARG H H 27 8.362 8.362 8.469 -0.107 19642 7839 1 16 . 1 1 28 28 ASP N N 28 116.954 116.954 119.636 -2.682 19642 7840 1 16 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.380 0.081 19642 7841 1 16 . 1 1 28 28 ASP C C 28 180.328 180.328 178.644 1.684 19642 7842 1 16 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.217 0.310 19642 7843 1 16 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.234 1.329 19642 7844 1 16 . 1 1 28 28 ASP H H 28 7.688 7.688 7.666 0.022 19642 7845 1 16 . 1 1 29 29 LEU N N 29 117.931 117.931 116.732 1.199 19642 7846 1 16 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.242 0.075 19642 7847 1 16 . 1 1 29 29 LEU C C 29 178.541 178.541 178.331 0.210 19642 7848 1 16 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.109 -0.260 19642 7849 1 16 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.291 0.481 19642 7850 1 16 . 1 1 29 29 LEU H H 29 7.173 7.173 7.555 -0.382 19642 7851 1 16 . 1 1 30 30 GLU N N 30 121.321 121.321 115.380 5.941 19642 7852 1 16 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.397 -0.609 19642 7853 1 16 . 1 1 30 30 GLU C C 30 179.497 179.497 177.448 2.049 19642 7854 1 16 . 1 1 30 30 GLU CA C 30 60.299 60.299 57.437 2.862 19642 7855 1 16 . 1 1 30 30 GLU CB C 30 29.672 29.672 30.148 -0.476 19642 7856 1 16 . 1 1 30 30 GLU H H 30 8.632 8.632 7.798 0.834 19642 7857 1 16 . 1 1 31 31 GLU N N 31 118.162 118.162 119.032 -0.870 19642 7858 1 16 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.247 -0.180 19642 7859 1 16 . 1 1 31 31 GLU C C 31 179.635 179.635 178.308 1.327 19642 7860 1 16 . 1 1 31 31 GLU CA C 31 59.357 59.357 57.860 1.497 19642 7861 1 16 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.807 -0.311 19642 7862 1 16 . 1 1 31 31 GLU H H 31 8.405 8.405 8.361 0.044 19642 7863 1 16 . 1 1 32 32 PHE N N 32 120.127 120.127 122.051 -1.924 19642 7864 1 16 . 1 1 32 32 PHE HA H 32 4.353 4.353 3.945 0.408 19642 7865 1 16 . 1 1 32 32 PHE C C 32 177.183 177.183 175.720 1.463 19642 7866 1 16 . 1 1 32 32 PHE CA C 32 60.941 60.941 59.803 1.138 19642 7867 1 16 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.476 1.446 19642 7868 1 16 . 1 1 32 32 PHE H H 32 7.767 7.767 7.570 0.197 19642 7869 1 16 . 1 1 33 33 PHE N N 33 112.879 112.879 112.205 0.674 19642 7870 1 16 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.944 -0.693 19642 7871 1 16 . 1 1 33 33 PHE C C 33 177.304 177.304 177.267 0.037 19642 7872 1 16 . 1 1 33 33 PHE CA C 33 61.179 61.179 56.131 5.048 19642 7873 1 16 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.462 0.118 19642 7874 1 16 . 1 1 33 33 PHE H H 33 8.489 8.489 7.799 0.690 19642 7875 1 16 . 1 1 34 34 SER N N 34 115.870 115.870 115.934 -0.064 19642 7876 1 16 . 1 1 34 34 SER HA H 34 5.119 5.119 4.912 0.207 19642 7877 1 16 . 1 1 34 34 SER C C 34 175.464 175.464 176.808 -1.344 19642 7878 1 16 . 1 1 34 34 SER CA C 34 61.268 61.268 60.214 1.054 19642 7879 1 16 . 1 1 34 34 SER CB C 34 62.915 62.915 63.798 -0.883 19642 7880 1 16 . 1 1 34 34 SER H H 34 7.997 7.997 7.969 0.028 19642 7881 1 16 . 1 1 35 35 THR N N 35 110.934 110.934 116.628 -5.694 19642 7882 1 16 . 1 1 35 35 THR HA H 35 4.147 4.147 4.123 0.024 19642 7883 1 16 . 1 1 35 35 THR C C 35 176.410 176.410 175.126 1.284 19642 7884 1 16 . 1 1 35 35 THR CA C 35 63.756 63.756 64.989 -1.233 19642 7885 1 16 . 1 1 35 35 THR CB C 35 68.802 68.802 69.139 -0.337 19642 7886 1 16 . 1 1 35 35 THR H H 35 7.188 7.188 8.135 -0.947 19642 7887 1 16 . 1 1 36 36 VAL N N 36 111.644 111.644 116.076 -4.432 19642 7888 1 16 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.582 0.041 19642 7889 1 16 . 1 1 36 36 VAL C C 36 176.046 176.046 174.208 1.838 19642 7890 1 16 . 1 1 36 36 VAL CA C 36 60.472 60.472 60.525 -0.053 19642 7891 1 16 . 1 1 36 36 VAL CB C 36 32.425 32.425 31.600 0.825 19642 7892 1 16 . 1 1 36 36 VAL H H 36 7.665 7.665 7.568 0.097 19642 7893 1 16 . 1 1 37 37 GLY N N 37 109.343 109.343 109.187 0.156 19642 7894 1 16 . 1 1 37 37 GLY CA C 37 45.269 45.269 46.014 -0.745 19642 7895 1 16 . 1 1 37 37 GLY H H 37 7.640 7.640 7.516 0.124 19642 7896 1 16 . 1 1 38 38 LYS N N 38 117.953 117.953 121.001 -3.048 19642 7897 1 16 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.545 -0.006 19642 7898 1 16 . 1 1 38 38 LYS CA C 38 55.724 55.724 54.439 1.285 19642 7899 1 16 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.347 -2.472 19642 7900 1 16 . 1 1 38 38 LYS H H 38 8.246 8.246 8.444 -0.198 19642 7901 1 16 . 1 1 39 39 VAL N N 39 128.639 128.639 125.511 3.128 19642 7902 1 16 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.351 0.334 19642 7903 1 16 . 1 1 39 39 VAL CA C 39 62.816 62.816 62.110 0.706 19642 7904 1 16 . 1 1 39 39 VAL CB C 39 32.992 32.992 32.410 0.582 19642 7905 1 16 . 1 1 39 39 VAL H H 39 9.126 9.126 8.421 0.705 19642 7906 1 16 . 1 1 40 40 ARG N N 40 129.292 129.292 126.805 2.487 19642 7907 1 16 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.140 0.139 19642 7908 1 16 . 1 1 40 40 ARG C C 40 175.643 175.643 176.048 -0.405 19642 7909 1 16 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.800 -1.466 19642 7910 1 16 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.411 0.249 19642 7911 1 16 . 1 1 40 40 ARG H H 40 9.573 9.573 8.947 0.626 19642 7912 1 16 . 1 1 41 41 ASP N N 41 116.255 116.255 113.293 2.962 19642 7913 1 16 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.759 0.081 19642 7914 1 16 . 1 1 41 41 ASP C C 41 173.674 173.674 173.772 -0.098 19642 7915 1 16 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.365 0.340 19642 7916 1 16 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.776 0.127 19642 7917 1 16 . 1 1 41 41 ASP H H 41 7.762 7.762 7.685 0.077 19642 7918 1 16 . 1 1 42 42 VAL N N 42 122.442 122.442 119.184 3.258 19642 7919 1 16 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.276 0.359 19642 7920 1 16 . 1 1 42 42 VAL C C 42 174.714 174.714 175.462 -0.748 19642 7921 1 16 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.233 0.041 19642 7922 1 16 . 1 1 42 42 VAL CB C 42 34.832 34.832 32.948 1.884 19642 7923 1 16 . 1 1 42 42 VAL H H 42 7.939 7.939 8.346 -0.407 19642 7924 1 16 . 1 1 43 43 ARG N N 43 126.687 126.687 128.499 -1.812 19642 7925 1 16 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.342 0.423 19642 7926 1 16 . 1 1 43 43 ARG C C 43 175.278 175.278 175.040 0.238 19642 7927 1 16 . 1 1 43 43 ARG CA C 43 54.378 54.378 56.075 -1.698 19642 7928 1 16 . 1 1 43 43 ARG CB C 43 32.434 32.434 31.442 0.992 19642 7929 1 16 . 1 1 43 43 ARG H H 43 9.171 9.171 8.927 0.244 19642 7930 1 16 . 1 1 44 44 MET N N 44 123.092 123.092 119.040 4.052 19642 7931 1 16 . 1 1 44 44 MET HA H 44 4.906 4.906 4.725 0.181 19642 7932 1 16 . 1 1 44 44 MET C C 44 176.360 176.360 174.716 1.644 19642 7933 1 16 . 1 1 44 44 MET CA C 44 53.152 53.152 55.185 -2.033 19642 7934 1 16 . 1 1 44 44 MET CB C 44 32.940 32.940 36.390 -3.450 19642 7935 1 16 . 1 1 44 44 MET H H 44 8.939 8.939 8.457 0.482 19642 7936 1 16 . 1 1 45 45 ILE N N 45 124.146 124.146 125.855 -1.709 19642 7937 1 16 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.269 0.191 19642 7938 1 16 . 1 1 45 45 ILE C C 45 175.961 175.961 175.829 0.132 19642 7939 1 16 . 1 1 45 45 ILE CA C 45 59.947 59.947 61.278 -1.331 19642 7940 1 16 . 1 1 45 45 ILE CB C 45 38.193 38.193 36.894 1.299 19642 7941 1 16 . 1 1 45 45 ILE H H 45 8.319 8.319 8.954 -0.635 19642 7942 1 16 . 1 1 46 46 SER N N 46 121.541 121.541 125.103 -3.562 19642 7943 1 16 . 1 1 46 46 SER HA H 46 4.709 4.709 4.304 0.405 19642 7944 1 16 . 1 1 46 46 SER C C 46 174.061 174.061 174.018 0.043 19642 7945 1 16 . 1 1 46 46 SER CA C 46 57.381 57.381 58.688 -1.308 19642 7946 1 16 . 1 1 46 46 SER CB C 46 64.273 64.273 62.401 1.872 19642 7947 1 16 . 1 1 46 46 SER H H 46 8.653 8.653 8.531 0.122 19642 7948 1 16 . 1 1 47 47 ASP N N 47 123.132 123.132 121.495 1.637 19642 7949 1 16 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.227 0.431 19642 7950 1 16 . 1 1 47 47 ASP C C 47 177.203 177.203 175.418 1.785 19642 7951 1 16 . 1 1 47 47 ASP CA C 47 53.662 53.662 56.063 -2.401 19642 7952 1 16 . 1 1 47 47 ASP CB C 47 41.920 41.920 41.501 0.419 19642 7953 1 16 . 1 1 47 47 ASP H H 47 8.598 8.598 8.281 0.317 19642 7954 1 16 . 1 1 48 48 ARG N N 48 122.881 122.881 119.879 3.002 19642 7955 1 16 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.240 -0.033 19642 7956 1 16 . 1 1 48 48 ARG C C 48 177.090 177.090 176.486 0.604 19642 7957 1 16 . 1 1 48 48 ARG CA C 48 57.206 57.206 57.634 -0.428 19642 7958 1 16 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.336 -1.561 19642 7959 1 16 . 1 1 48 48 ARG H H 48 8.648 8.648 8.434 0.214 19642 7960 1 16 . 1 1 49 49 ASN N N 49 117.245 117.245 114.420 2.825 19642 7961 1 16 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.875 -0.129 19642 7962 1 16 . 1 1 49 49 ASN C C 49 175.822 175.822 175.752 0.070 19642 7963 1 16 . 1 1 49 49 ASN CA C 49 53.592 53.592 53.565 0.027 19642 7964 1 16 . 1 1 49 49 ASN CB C 49 38.910 38.910 40.788 -1.878 19642 7965 1 16 . 1 1 49 49 ASN H H 49 8.502 8.502 8.375 0.127 19642 7966 1 16 . 1 1 50 50 SER N N 50 114.891 114.891 117.586 -2.695 19642 7967 1 16 . 1 1 50 50 SER HA H 50 4.429 4.429 4.778 -0.349 19642 7968 1 16 . 1 1 50 50 SER C C 50 175.339 175.339 173.907 1.432 19642 7969 1 16 . 1 1 50 50 SER CA C 50 58.396 58.396 59.163 -0.767 19642 7970 1 16 . 1 1 50 50 SER CB C 50 63.681 63.681 65.252 -1.571 19642 7971 1 16 . 1 1 50 50 SER H H 50 8.158 8.158 8.119 0.039 19642 7972 1 16 . 1 1 51 51 ARG N N 51 120.957 120.957 118.366 2.591 19642 7973 1 16 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.617 -0.328 19642 7974 1 16 . 1 1 51 51 ARG C C 51 176.845 176.845 174.497 2.348 19642 7975 1 16 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.202 0.470 19642 7976 1 16 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.721 -1.101 19642 7977 1 16 . 1 1 51 51 ARG H H 51 8.451 8.451 8.546 -0.095 19642 7978 1 16 . 1 1 52 52 ARG N N 52 119.405 119.405 119.626 -0.221 19642 7979 1 16 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.693 -0.273 19642 7980 1 16 . 1 1 52 52 ARG CA C 52 55.765 55.765 54.400 1.365 19642 7981 1 16 . 1 1 52 52 ARG CB C 52 30.875 30.875 29.163 1.712 19642 7982 1 16 . 1 1 52 52 ARG H H 52 8.159 8.159 8.387 -0.228 19642 7983 1 16 . 1 1 53 53 SER N N 53 116.328 116.328 118.071 -1.743 19642 7984 1 16 . 1 1 53 53 SER HA H 53 4.492 4.492 4.255 0.237 19642 7985 1 16 . 1 1 53 53 SER CA C 53 58.142 58.142 60.711 -2.569 19642 7986 1 16 . 1 1 53 53 SER CB C 53 63.447 63.447 63.343 0.104 19642 7987 1 16 . 1 1 53 53 SER H H 53 8.370 8.370 8.506 -0.136 19642 7988 1 16 . 1 1 54 54 LYS N N 54 122.099 122.099 118.240 3.859 19642 7989 1 16 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.158 0.341 19642 7990 1 16 . 1 1 54 54 LYS CA C 54 55.563 55.563 56.527 -0.964 19642 7991 1 16 . 1 1 54 54 LYS CB C 54 33.079 33.079 30.992 2.087 19642 7992 1 16 . 1 1 54 54 LYS H H 54 8.374 8.374 8.241 0.133 19642 7993 1 16 . 1 1 55 55 GLY N N 55 109.513 109.513 105.604 3.909 19642 7994 1 16 . 1 1 55 55 GLY C C 55 172.962 172.962 173.569 -0.607 19642 7995 1 16 . 1 1 55 55 GLY CA C 55 45.894 45.894 45.056 0.838 19642 7996 1 16 . 1 1 55 55 GLY H H 55 8.592 8.592 8.474 0.118 19642 7997 1 16 . 1 1 56 56 ILE N N 56 114.180 114.180 114.876 -0.696 19642 7998 1 16 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.122 -0.111 19642 7999 1 16 . 1 1 56 56 ILE C C 56 175.172 175.172 173.815 1.357 19642 8000 1 16 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.577 0.154 19642 8001 1 16 . 1 1 56 56 ILE CB C 56 42.162 42.162 42.273 -0.111 19642 8002 1 16 . 1 1 56 56 ILE H H 56 7.618 7.618 7.671 -0.053 19642 8003 1 16 . 1 1 57 57 ALA N N 57 121.556 121.556 125.242 -3.686 19642 8004 1 16 . 1 1 57 57 ALA HA H 57 5.120 5.120 4.842 0.278 19642 8005 1 16 . 1 1 57 57 ALA C C 57 175.094 175.094 174.551 0.543 19642 8006 1 16 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.327 -0.627 19642 8007 1 16 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.469 1.701 19642 8008 1 16 . 1 1 57 57 ALA H H 57 8.308 8.308 7.854 0.454 19642 8009 1 16 . 1 1 58 58 TYR N N 58 118.387 118.387 118.142 0.245 19642 8010 1 16 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.573 -0.092 19642 8011 1 16 . 1 1 58 58 TYR C C 58 175.537 175.537 175.783 -0.246 19642 8012 1 16 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.747 -0.233 19642 8013 1 16 . 1 1 58 58 TYR CB C 58 40.607 40.607 41.620 -1.013 19642 8014 1 16 . 1 1 58 58 TYR H H 58 8.971 8.971 8.658 0.313 19642 8015 1 16 . 1 1 59 59 VAL N N 59 122.978 122.978 123.513 -0.535 19642 8016 1 16 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.532 -0.156 19642 8017 1 16 . 1 1 59 59 VAL C C 59 172.631 172.631 175.252 -2.621 19642 8018 1 16 . 1 1 59 59 VAL CA C 59 61.217 61.217 60.798 0.419 19642 8019 1 16 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.500 -0.925 19642 8020 1 16 . 1 1 59 59 VAL H H 59 8.828 8.828 8.747 0.081 19642 8021 1 16 . 1 1 60 60 GLU N N 60 128.557 128.557 126.802 1.755 19642 8022 1 16 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.469 0.382 19642 8023 1 16 . 1 1 60 60 GLU C C 60 176.210 176.210 175.058 1.152 19642 8024 1 16 . 1 1 60 60 GLU CA C 60 53.842 53.842 56.102 -2.260 19642 8025 1 16 . 1 1 60 60 GLU CB C 60 33.103 33.103 29.941 3.162 19642 8026 1 16 . 1 1 60 60 GLU H H 60 8.774 8.774 8.894 -0.120 19642 8027 1 16 . 1 1 61 61 PHE N N 61 126.659 126.659 122.117 4.542 19642 8028 1 16 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.531 0.385 19642 8029 1 16 . 1 1 61 61 PHE C C 61 176.011 176.011 175.593 0.418 19642 8030 1 16 . 1 1 61 61 PHE CA C 61 58.586 58.586 58.374 0.212 19642 8031 1 16 . 1 1 61 61 PHE CB C 61 41.038 41.038 41.997 -0.959 19642 8032 1 16 . 1 1 61 61 PHE H H 61 9.340 9.340 8.605 0.735 19642 8033 1 16 . 1 1 62 62 VAL N N 62 118.280 118.280 119.360 -1.080 19642 8034 1 16 . 1 1 62 62 VAL HA H 62 3.743 3.743 4.061 -0.318 19642 8035 1 16 . 1 1 62 62 VAL C C 62 176.097 176.097 175.841 0.256 19642 8036 1 16 . 1 1 62 62 VAL CA C 62 65.785 65.785 62.922 2.863 19642 8037 1 16 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.215 0.596 19642 8038 1 16 . 1 1 62 62 VAL H H 62 8.184 8.184 8.237 -0.053 19642 8039 1 16 . 1 1 63 63 ASP N N 63 118.269 118.269 118.728 -0.459 19642 8040 1 16 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.825 0.367 19642 8041 1 16 . 1 1 63 63 ASP C C 63 176.648 176.648 175.184 1.464 19642 8042 1 16 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.813 -0.174 19642 8043 1 16 . 1 1 63 63 ASP CB C 63 44.569 44.569 44.117 0.452 19642 8044 1 16 . 1 1 63 63 ASP H H 63 8.708 8.708 7.768 0.940 19642 8045 1 16 . 1 1 64 64 VAL N N 64 121.961 121.961 119.898 2.063 19642 8046 1 16 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.986 -0.175 19642 8047 1 16 . 1 1 64 64 VAL C C 64 178.439 178.439 177.021 1.418 19642 8048 1 16 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.136 0.683 19642 8049 1 16 . 1 1 64 64 VAL CB C 64 32.050 32.050 33.076 -1.026 19642 8050 1 16 . 1 1 64 64 VAL H H 64 8.609 8.609 8.384 0.225 19642 8051 1 16 . 1 1 65 65 SER N N 65 115.305 115.305 116.208 -0.903 19642 8052 1 16 . 1 1 65 65 SER HA H 65 4.143 4.143 4.150 -0.007 19642 8053 1 16 . 1 1 65 65 SER C C 65 176.285 176.285 176.213 0.072 19642 8054 1 16 . 1 1 65 65 SER CA C 65 60.158 60.158 61.667 -1.510 19642 8055 1 16 . 1 1 65 65 SER CB C 65 62.066 62.066 62.948 -0.882 19642 8056 1 16 . 1 1 65 65 SER H H 65 8.492 8.492 8.618 -0.126 19642 8057 1 16 . 1 1 66 66 SER N N 66 116.053 116.053 116.280 -0.227 19642 8058 1 16 . 1 1 66 66 SER HA H 66 4.024 4.024 4.118 -0.094 19642 8059 1 16 . 1 1 66 66 SER C C 66 174.528 174.528 175.110 -0.582 19642 8060 1 16 . 1 1 66 66 SER CA C 66 60.749 60.749 60.388 0.361 19642 8061 1 16 . 1 1 66 66 SER CB C 66 63.063 63.063 62.162 0.901 19642 8062 1 16 . 1 1 66 66 SER H H 66 7.414 7.414 7.902 -0.488 19642 8063 1 16 . 1 1 67 67 VAL N N 67 119.830 119.830 122.815 -2.985 19642 8064 1 16 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.664 -0.344 19642 8065 1 16 . 1 1 67 67 VAL CA C 67 69.038 69.038 67.595 1.443 19642 8066 1 16 . 1 1 67 67 VAL CB C 67 29.198 29.198 28.782 0.416 19642 8067 1 16 . 1 1 67 67 VAL H H 67 7.611 7.611 8.314 -0.703 19642 8068 1 16 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.261 0.004 19642 8069 1 16 . 1 1 68 68 PRO C C 68 180.457 180.457 178.539 1.918 19642 8070 1 16 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.072 -0.000 19642 8071 1 16 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.199 -0.461 19642 8072 1 16 . 1 1 69 69 LEU N N 69 115.334 115.334 120.616 -5.282 19642 8073 1 16 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.005 0.094 19642 8074 1 16 . 1 1 69 69 LEU C C 69 179.450 179.450 178.537 0.913 19642 8075 1 16 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.162 -0.720 19642 8076 1 16 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.721 -0.599 19642 8077 1 16 . 1 1 69 69 LEU H H 69 6.284 6.284 7.230 -0.946 19642 8078 1 16 . 1 1 70 70 ALA N N 70 122.703 122.703 121.525 1.178 19642 8079 1 16 . 1 1 70 70 ALA HA H 70 4.175 4.175 3.754 0.421 19642 8080 1 16 . 1 1 70 70 ALA C C 70 180.611 180.611 179.927 0.684 19642 8081 1 16 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.639 0.256 19642 8082 1 16 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.596 1.948 19642 8083 1 16 . 1 1 70 70 ALA H H 70 8.342 8.342 7.902 0.440 19642 8084 1 16 . 1 1 71 71 ILE N N 71 118.692 118.692 118.339 0.353 19642 8085 1 16 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.609 0.656 19642 8086 1 16 . 1 1 71 71 ILE C C 71 179.971 179.971 177.848 2.123 19642 8087 1 16 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.766 0.351 19642 8088 1 16 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.520 1.080 19642 8089 1 16 . 1 1 71 71 ILE H H 71 8.255 8.255 7.576 0.679 19642 8090 1 16 . 1 1 72 72 GLY N N 72 106.417 106.417 106.191 0.226 19642 8091 1 16 . 1 1 72 72 GLY C C 72 174.590 174.590 174.719 -0.129 19642 8092 1 16 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.443 -0.552 19642 8093 1 16 . 1 1 72 72 GLY H H 72 7.635 7.635 7.922 -0.287 19642 8094 1 16 . 1 1 73 73 LEU N N 73 120.383 120.383 119.423 0.960 19642 8095 1 16 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.672 -0.261 19642 8096 1 16 . 1 1 73 73 LEU C C 73 176.338 176.338 178.087 -1.749 19642 8097 1 16 . 1 1 73 73 LEU CA C 73 54.949 54.949 53.811 1.138 19642 8098 1 16 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.247 -1.654 19642 8099 1 16 . 1 1 73 73 LEU H H 73 7.767 7.767 7.554 0.213 19642 8100 1 16 . 1 1 74 74 THR N N 74 115.157 115.157 117.490 -2.333 19642 8101 1 16 . 1 1 74 74 THR HA H 74 4.060 4.060 4.190 -0.130 19642 8102 1 16 . 1 1 74 74 THR C C 74 175.656 175.656 176.051 -0.395 19642 8103 1 16 . 1 1 74 74 THR CA C 74 66.177 66.177 66.655 -0.478 19642 8104 1 16 . 1 1 74 74 THR CB C 74 69.821 69.821 68.606 1.215 19642 8105 1 16 . 1 1 74 74 THR H H 74 7.731 7.731 7.951 -0.220 19642 8106 1 16 . 1 1 75 75 GLY N N 75 117.587 117.587 106.693 10.894 19642 8107 1 16 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.586 0.039 19642 8108 1 16 . 1 1 75 75 GLY H H 75 9.519 9.519 8.470 1.049 19642 8109 1 16 . 1 1 76 76 GLN N N 76 120.027 120.027 119.054 0.973 19642 8110 1 16 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.725 -0.411 19642 8111 1 16 . 1 1 76 76 GLN C C 76 175.015 175.015 173.766 1.249 19642 8112 1 16 . 1 1 76 76 GLN CA C 76 55.819 55.819 54.312 1.507 19642 8113 1 16 . 1 1 76 76 GLN CB C 76 28.220 28.220 32.671 -4.451 19642 8114 1 16 . 1 1 76 76 GLN H H 76 8.319 8.319 8.067 0.252 19642 8115 1 16 . 1 1 77 77 ARG N N 77 118.759 118.759 118.191 0.568 19642 8116 1 16 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.741 -0.610 19642 8117 1 16 . 1 1 77 77 ARG C C 77 176.209 176.209 174.707 1.502 19642 8118 1 16 . 1 1 77 77 ARG CA C 77 56.091 56.091 54.753 1.338 19642 8119 1 16 . 1 1 77 77 ARG CB C 77 31.364 31.364 32.955 -1.591 19642 8120 1 16 . 1 1 77 77 ARG H H 77 8.544 8.544 8.600 -0.056 19642 8121 1 16 . 1 1 78 78 VAL N N 78 123.886 123.886 124.082 -0.196 19642 8122 1 16 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.804 0.031 19642 8123 1 16 . 1 1 78 78 VAL C C 78 176.570 176.570 175.230 1.340 19642 8124 1 16 . 1 1 78 78 VAL CA C 78 61.470 61.470 61.563 -0.093 19642 8125 1 16 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.411 0.791 19642 8126 1 16 . 1 1 78 78 VAL H H 78 8.015 8.015 7.750 0.265 19642 8127 1 16 . 1 1 79 79 LEU N N 79 129.331 129.331 126.054 3.277 19642 8128 1 16 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.971 -0.139 19642 8129 1 16 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.385 0.388 19642 8130 1 16 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.821 -0.280 19642 8131 1 16 . 1 1 79 79 LEU H H 79 9.570 9.570 8.599 0.971 19642 8132 1 16 . 1 1 80 80 GLY N N 80 100.301 100.301 101.993 -1.692 19642 8133 1 16 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.550 0.679 19642 8134 1 16 . 1 1 80 80 GLY H H 80 8.316 8.316 7.955 0.361 19642 8135 1 16 . 1 1 81 81 VAL N N 81 122.763 122.763 122.661 0.102 19642 8136 1 16 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.525 0.112 19642 8137 1 16 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.992 0.362 19642 8138 1 16 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.750 3.147 19642 8139 1 16 . 1 1 81 81 VAL H H 81 7.632 7.632 7.913 -0.281 19642 8140 1 16 . 1 1 82 82 PRO HA H 82 4.332 4.332 5.034 -0.702 19642 8141 1 16 . 1 1 82 82 PRO C C 82 175.005 175.005 176.219 -1.214 19642 8142 1 16 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.121 0.382 19642 8143 1 16 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.947 -1.667 19642 8144 1 16 . 1 1 83 83 ILE N N 83 126.022 126.022 117.985 8.037 19642 8145 1 16 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.572 0.054 19642 8146 1 16 . 1 1 83 83 ILE C C 83 175.679 175.679 174.382 1.297 19642 8147 1 16 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.700 2.269 19642 8148 1 16 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.775 -0.862 19642 8149 1 16 . 1 1 83 83 ILE H H 83 8.391 8.391 7.917 0.474 19642 8150 1 16 . 1 1 84 84 ILE N N 84 125.284 125.284 119.045 6.239 19642 8151 1 16 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.445 -0.012 19642 8152 1 16 . 1 1 84 84 ILE C C 84 174.418 174.418 177.308 -2.890 19642 8153 1 16 . 1 1 84 84 ILE CA C 84 61.313 61.313 58.281 3.032 19642 8154 1 16 . 1 1 84 84 ILE CB C 84 39.900 39.900 39.941 -0.042 19642 8155 1 16 . 1 1 84 84 ILE H H 84 7.842 7.842 8.305 -0.463 19642 8156 1 16 . 1 1 85 85 VAL N N 85 128.143 128.143 124.667 3.476 19642 8157 1 16 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.633 -0.016 19642 8158 1 16 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.922 -0.035 19642 8159 1 16 . 1 1 85 85 VAL CB C 85 34.069 34.069 32.110 1.959 19642 8160 1 16 . 1 1 85 85 VAL H H 85 8.400 8.400 8.372 0.028 19642 8161 1 16 . 1 1 86 86 GLN N N 86 122.965 122.965 117.029 5.936 19642 8162 1 16 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.103 0.800 19642 8163 1 16 . 1 1 86 86 GLN C C 86 175.590 175.590 176.406 -0.816 19642 8164 1 16 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.046 3.710 19642 8165 1 16 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.785 5.228 19642 8166 1 16 . 1 1 86 86 GLN H H 86 9.242 9.242 7.885 1.357 19642 8167 1 16 . 1 1 87 87 ALA N N 87 123.174 123.174 119.656 3.518 19642 8168 1 16 . 1 1 87 87 ALA HA H 87 4.356 4.356 3.970 0.386 19642 8169 1 16 . 1 1 87 87 ALA C C 87 178.095 178.095 176.188 1.907 19642 8170 1 16 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.982 -0.157 19642 8171 1 16 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.219 0.315 19642 8172 1 16 . 1 1 87 87 ALA H H 87 8.907 8.907 7.942 0.965 19642 8173 1 16 . 1 1 88 88 SER N N 88 114.952 114.952 117.724 -2.772 19642 8174 1 16 . 1 1 88 88 SER HA H 88 4.294 4.294 4.588 -0.294 19642 8175 1 16 . 1 1 88 88 SER C C 88 175.470 175.470 174.045 1.425 19642 8176 1 16 . 1 1 88 88 SER CA C 88 59.617 59.617 58.550 1.067 19642 8177 1 16 . 1 1 88 88 SER CB C 88 63.409 63.409 63.633 -0.224 19642 8178 1 16 . 1 1 88 88 SER H H 88 8.343 8.343 8.386 -0.043 19642 8179 1 16 . 1 1 89 89 GLN N N 89 121.151 121.151 126.149 -4.998 19642 8180 1 16 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.554 -0.241 19642 8181 1 16 . 1 1 89 89 GLN C C 89 175.838 175.838 175.081 0.757 19642 8182 1 16 . 1 1 89 89 GLN CA C 89 55.286 55.286 54.680 0.606 19642 8183 1 16 . 1 1 89 89 GLN CB C 89 29.333 29.333 31.367 -2.034 19642 8184 1 16 . 1 1 89 89 GLN H H 89 8.348 8.348 8.254 0.094 19642 8185 1 16 . 1 1 90 90 ALA N N 90 124.942 124.942 125.440 -0.498 19642 8186 1 16 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.365 -0.162 19642 8187 1 16 . 1 1 90 90 ALA C C 90 178.381 178.381 178.370 0.011 19642 8188 1 16 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.755 1.007 19642 8189 1 16 . 1 1 90 90 ALA CB C 90 19.071 19.071 19.362 -0.291 19642 8190 1 16 . 1 1 90 90 ALA H H 90 8.245 8.245 8.309 -0.064 19642 8191 1 16 . 1 1 91 91 GLU N N 91 119.604 119.604 119.279 0.325 19642 8192 1 16 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.236 -0.083 19642 8193 1 16 . 1 1 91 91 GLU C C 91 176.986 176.986 176.226 0.760 19642 8194 1 16 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.952 -0.417 19642 8195 1 16 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.672 1.357 19642 8196 1 16 . 1 1 91 91 GLU H H 91 8.414 8.414 8.756 -0.342 19642 8197 1 16 . 1 1 92 92 LYS N N 92 121.284 121.284 117.230 4.054 19642 8198 1 16 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.413 -0.123 19642 8199 1 16 . 1 1 92 92 LYS C C 92 176.699 176.699 177.460 -0.761 19642 8200 1 16 . 1 1 92 92 LYS CA C 92 56.042 56.042 56.263 -0.221 19642 8201 1 16 . 1 1 92 92 LYS CB C 92 32.705 32.705 32.877 -0.172 19642 8202 1 16 . 1 1 92 92 LYS H H 92 8.212 8.212 7.829 0.383 19642 8203 1 16 . 1 1 93 93 ASN N N 93 119.221 119.221 118.176 1.045 19642 8204 1 16 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.665 0.035 19642 8205 1 16 . 1 1 93 93 ASN C C 93 174.424 174.424 174.954 -0.530 19642 8206 1 16 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.050 0.060 19642 8207 1 16 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.830 -0.104 19642 8208 1 16 . 1 1 93 93 ASN H H 93 8.370 8.370 8.034 0.336 19642 8209 1 17 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.838 -0.145 19642 8210 1 17 . 1 1 2 2 HIS C C 2 175.244 175.244 173.866 1.378 19642 8211 1 17 . 1 1 2 2 HIS CA C 2 55.849 55.849 55.630 0.219 19642 8212 1 17 . 1 1 2 2 HIS CB C 2 30.165 30.165 30.930 -0.765 19642 8213 1 17 . 1 1 3 3 MET HA H 3 4.464 4.464 4.564 -0.100 19642 8214 1 17 . 1 1 3 3 MET C C 3 175.896 175.896 175.988 -0.092 19642 8215 1 17 . 1 1 3 3 MET CA C 3 55.188 55.188 55.221 -0.033 19642 8216 1 17 . 1 1 3 3 MET CB C 3 32.736 32.736 33.213 -0.477 19642 8217 1 17 . 1 1 4 4 ASN N N 4 120.610 120.610 120.006 0.604 19642 8218 1 17 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.749 0.003 19642 8219 1 17 . 1 1 4 4 ASN C C 4 175.033 175.033 174.098 0.935 19642 8220 1 17 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.256 -0.528 19642 8221 1 17 . 1 1 4 4 ASN CB C 4 38.604 38.604 39.147 -0.543 19642 8222 1 17 . 1 1 4 4 ASN H H 4 8.564 8.564 8.017 0.547 19642 8223 1 17 . 1 1 5 5 LEU N N 5 122.314 122.314 123.229 -0.915 19642 8224 1 17 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.472 0.138 19642 8225 1 17 . 1 1 5 5 LEU C C 5 178.178 178.178 177.230 0.948 19642 8226 1 17 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.999 -0.694 19642 8227 1 17 . 1 1 5 5 LEU CB C 5 43.343 43.343 43.209 0.134 19642 8228 1 17 . 1 1 5 5 LEU H H 5 8.046 8.046 8.306 -0.260 19642 8229 1 17 . 1 1 6 6 THR N N 6 115.483 115.483 117.978 -2.495 19642 8230 1 17 . 1 1 6 6 THR HA H 6 4.626 4.626 4.547 0.079 19642 8231 1 17 . 1 1 6 6 THR CA C 6 60.039 60.039 59.726 0.313 19642 8232 1 17 . 1 1 6 6 THR CB C 6 68.119 68.119 68.620 -0.501 19642 8233 1 17 . 1 1 6 6 THR H H 6 8.948 8.948 8.194 0.754 19642 8234 1 17 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.216 -0.073 19642 8235 1 17 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.470 0.103 19642 8236 1 17 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.924 -0.284 19642 8237 1 17 . 1 1 8 8 GLU N N 8 116.691 116.691 117.472 -0.781 19642 8238 1 17 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.045 0.066 19642 8239 1 17 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.516 0.056 19642 8240 1 17 . 1 1 8 8 GLU CB C 8 28.889 28.889 28.905 -0.016 19642 8241 1 17 . 1 1 8 8 GLU H H 8 8.753 8.753 8.891 -0.138 19642 8242 1 17 . 1 1 9 9 GLU N N 9 121.235 121.235 118.026 3.209 19642 8243 1 17 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.055 -0.014 19642 8244 1 17 . 1 1 9 9 GLU C C 9 180.194 180.194 177.866 2.328 19642 8245 1 17 . 1 1 9 9 GLU CA C 9 58.527 58.527 58.850 -0.323 19642 8246 1 17 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.614 0.952 19642 8247 1 17 . 1 1 9 9 GLU H H 9 7.823 7.823 7.718 0.105 19642 8248 1 17 . 1 1 10 10 ARG N N 10 120.373 120.373 118.238 2.135 19642 8249 1 17 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.171 -0.284 19642 8250 1 17 . 1 1 10 10 ARG C C 10 180.714 180.714 178.855 1.859 19642 8251 1 17 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.493 1.292 19642 8252 1 17 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.383 -0.512 19642 8253 1 17 . 1 1 10 10 ARG H H 10 8.363 8.363 7.541 0.822 19642 8254 1 17 . 1 1 11 11 ASP N N 11 123.103 123.103 119.762 3.341 19642 8255 1 17 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.473 -0.159 19642 8256 1 17 . 1 1 11 11 ASP C C 11 179.081 179.081 176.627 2.454 19642 8257 1 17 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.675 1.008 19642 8258 1 17 . 1 1 11 11 ASP CB C 11 40.022 40.022 40.830 -0.807 19642 8259 1 17 . 1 1 11 11 ASP H H 11 8.709 8.709 8.298 0.411 19642 8260 1 17 . 1 1 12 12 ALA N N 12 119.926 119.926 118.392 1.534 19642 8261 1 17 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.457 -0.214 19642 8262 1 17 . 1 1 12 12 ALA C C 12 177.593 177.593 177.632 -0.039 19642 8263 1 17 . 1 1 12 12 ALA CA C 12 53.808 53.808 51.333 2.475 19642 8264 1 17 . 1 1 12 12 ALA CB C 12 18.341 18.341 18.415 -0.074 19642 8265 1 17 . 1 1 12 12 ALA H H 12 7.615 7.615 7.270 0.345 19642 8266 1 17 . 1 1 13 13 ARG N N 13 113.504 113.504 118.926 -5.422 19642 8267 1 17 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.269 0.158 19642 8268 1 17 . 1 1 13 13 ARG C C 13 174.905 174.905 175.113 -0.208 19642 8269 1 17 . 1 1 13 13 ARG CA C 13 55.588 55.588 56.105 -0.517 19642 8270 1 17 . 1 1 13 13 ARG CB C 13 30.789 30.789 30.175 0.614 19642 8271 1 17 . 1 1 13 13 ARG H H 13 7.204 7.204 7.573 -0.369 19642 8272 1 17 . 1 1 14 14 THR N N 14 117.103 117.103 113.622 3.481 19642 8273 1 17 . 1 1 14 14 THR HA H 14 5.589 5.589 5.076 0.513 19642 8274 1 17 . 1 1 14 14 THR C C 14 174.610 174.610 174.214 0.396 19642 8275 1 17 . 1 1 14 14 THR CA C 14 61.993 61.993 61.490 0.503 19642 8276 1 17 . 1 1 14 14 THR CB C 14 70.185 70.185 70.727 -0.542 19642 8277 1 17 . 1 1 14 14 THR H H 14 7.685 7.685 7.394 0.291 19642 8278 1 17 . 1 1 15 15 VAL N N 15 117.127 117.127 120.433 -3.306 19642 8279 1 17 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.560 0.520 19642 8280 1 17 . 1 1 15 15 VAL C C 15 173.786 173.786 174.254 -0.468 19642 8281 1 17 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.034 -1.449 19642 8282 1 17 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.277 0.546 19642 8283 1 17 . 1 1 15 15 VAL H H 15 9.154 9.154 8.999 0.155 19642 8284 1 17 . 1 1 16 16 PHE N N 16 122.697 122.697 121.262 1.435 19642 8285 1 17 . 1 1 16 16 PHE HA H 16 5.183 5.183 5.082 0.101 19642 8286 1 17 . 1 1 16 16 PHE C C 16 174.520 174.520 174.305 0.215 19642 8287 1 17 . 1 1 16 16 PHE CA C 16 54.981 54.981 56.184 -1.204 19642 8288 1 17 . 1 1 16 16 PHE CB C 16 42.266 42.266 40.866 1.400 19642 8289 1 17 . 1 1 16 16 PHE H H 16 9.359 9.359 8.411 0.948 19642 8290 1 17 . 1 1 17 17 CYS N N 17 122.356 122.356 127.179 -4.823 19642 8291 1 17 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.581 0.986 19642 8292 1 17 . 1 1 17 17 CYS C C 17 173.018 173.018 173.643 -0.625 19642 8293 1 17 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.435 -2.727 19642 8294 1 17 . 1 1 17 17 CYS CB C 17 30.776 30.776 30.657 0.119 19642 8295 1 17 . 1 1 17 17 CYS H H 17 8.931 8.931 8.969 -0.038 19642 8296 1 17 . 1 1 18 18 MET N N 18 117.884 117.884 123.014 -5.130 19642 8297 1 17 . 1 1 18 18 MET HA H 18 4.846 4.846 4.491 0.355 19642 8298 1 17 . 1 1 18 18 MET C C 18 173.706 173.706 174.970 -1.264 19642 8299 1 17 . 1 1 18 18 MET CA C 18 53.623 53.623 55.203 -1.580 19642 8300 1 17 . 1 1 18 18 MET CB C 18 31.772 31.772 32.556 -0.784 19642 8301 1 17 . 1 1 18 18 MET H H 18 8.818 8.818 8.761 0.057 19642 8302 1 17 . 1 1 19 19 GLN N N 19 115.022 115.022 119.713 -4.691 19642 8303 1 17 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.460 -0.762 19642 8304 1 17 . 1 1 19 19 GLN C C 19 173.403 173.403 173.972 -0.569 19642 8305 1 17 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.877 2.132 19642 8306 1 17 . 1 1 19 19 GLN CB C 19 27.922 27.922 30.783 -2.861 19642 8307 1 17 . 1 1 19 19 GLN H H 19 8.463 8.463 8.076 0.387 19642 8308 1 17 . 1 1 20 20 LEU N N 20 116.032 116.032 121.037 -5.005 19642 8309 1 17 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.329 -0.075 19642 8310 1 17 . 1 1 20 20 LEU C C 20 177.827 177.827 177.010 0.817 19642 8311 1 17 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.571 -1.976 19642 8312 1 17 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.763 0.495 19642 8313 1 17 . 1 1 20 20 LEU H H 20 7.685 7.685 7.490 0.195 19642 8314 1 17 . 1 1 21 21 ALA N N 21 125.644 125.644 122.314 3.330 19642 8315 1 17 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.242 -0.097 19642 8316 1 17 . 1 1 21 21 ALA C C 21 178.868 178.868 177.592 1.276 19642 8317 1 17 . 1 1 21 21 ALA CA C 21 51.661 51.661 52.258 -0.597 19642 8318 1 17 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.757 -0.403 19642 8319 1 17 . 1 1 21 21 ALA H H 21 9.473 9.473 8.272 1.201 19642 8320 1 17 . 1 1 22 22 ALA N N 22 124.495 124.495 122.072 2.423 19642 8321 1 17 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.274 -0.165 19642 8322 1 17 . 1 1 22 22 ALA C C 22 179.705 179.705 178.635 1.070 19642 8323 1 17 . 1 1 22 22 ALA CA C 22 54.560 54.560 54.158 0.402 19642 8324 1 17 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.617 -0.259 19642 8325 1 17 . 1 1 22 22 ALA H H 22 8.583 8.583 8.437 0.147 19642 8326 1 17 . 1 1 23 23 ARG N N 23 111.716 111.716 118.020 -6.304 19642 8327 1 17 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.436 -0.068 19642 8328 1 17 . 1 1 23 23 ARG C C 23 176.243 176.243 175.608 0.635 19642 8329 1 17 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.261 -0.125 19642 8330 1 17 . 1 1 23 23 ARG CB C 23 29.161 29.161 29.287 -0.126 19642 8331 1 17 . 1 1 23 23 ARG H H 23 7.905 7.905 8.116 -0.211 19642 8332 1 17 . 1 1 24 24 ILE N N 24 121.734 121.734 120.816 0.918 19642 8333 1 17 . 1 1 24 24 ILE HA H 24 3.892 3.892 3.824 0.068 19642 8334 1 17 . 1 1 24 24 ILE C C 24 173.297 173.297 175.175 -1.878 19642 8335 1 17 . 1 1 24 24 ILE CA C 24 61.336 61.336 61.603 -0.267 19642 8336 1 17 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.844 -0.093 19642 8337 1 17 . 1 1 24 24 ILE H H 24 7.270 7.270 7.660 -0.390 19642 8338 1 17 . 1 1 25 25 ARG N N 25 125.810 125.810 123.669 2.141 19642 8339 1 17 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.688 0.267 19642 8340 1 17 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.423 -1.006 19642 8341 1 17 . 1 1 25 25 ARG CB C 25 30.964 30.964 31.343 -0.379 19642 8342 1 17 . 1 1 25 25 ARG H H 25 8.994 8.994 8.379 0.615 19642 8343 1 17 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.235 -0.175 19642 8344 1 17 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.495 1.177 19642 8345 1 17 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.068 -0.608 19642 8346 1 17 . 1 1 27 27 ARG N N 27 114.118 114.118 116.741 -2.623 19642 8347 1 17 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.081 0.159 19642 8348 1 17 . 1 1 27 27 ARG C C 27 178.376 178.376 177.607 0.769 19642 8349 1 17 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.837 -0.722 19642 8350 1 17 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.864 -0.323 19642 8351 1 17 . 1 1 27 27 ARG H H 27 8.362 8.362 8.459 -0.096 19642 8352 1 17 . 1 1 28 28 ASP N N 28 116.954 116.954 121.041 -4.087 19642 8353 1 17 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.375 0.086 19642 8354 1 17 . 1 1 28 28 ASP C C 28 180.328 180.328 178.338 1.990 19642 8355 1 17 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.787 -0.260 19642 8356 1 17 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.209 1.355 19642 8357 1 17 . 1 1 28 28 ASP H H 28 7.688 7.688 7.875 -0.187 19642 8358 1 17 . 1 1 29 29 LEU N N 29 117.931 117.931 117.807 0.124 19642 8359 1 17 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.017 0.300 19642 8360 1 17 . 1 1 29 29 LEU C C 29 178.541 178.541 178.552 -0.011 19642 8361 1 17 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.891 -1.042 19642 8362 1 17 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.284 0.488 19642 8363 1 17 . 1 1 29 29 LEU H H 29 7.173 7.173 7.570 -0.397 19642 8364 1 17 . 1 1 30 30 GLU N N 30 121.321 121.321 118.582 2.739 19642 8365 1 17 . 1 1 30 30 GLU HA H 30 3.788 3.788 3.952 -0.164 19642 8366 1 17 . 1 1 30 30 GLU C C 30 179.497 179.497 178.548 0.949 19642 8367 1 17 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.324 0.975 19642 8368 1 17 . 1 1 30 30 GLU CB C 30 29.672 29.672 28.807 0.865 19642 8369 1 17 . 1 1 30 30 GLU H H 30 8.632 8.632 7.877 0.755 19642 8370 1 17 . 1 1 31 31 GLU N N 31 118.162 118.162 119.738 -1.576 19642 8371 1 17 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.012 0.055 19642 8372 1 17 . 1 1 31 31 GLU C C 31 179.635 179.635 178.797 0.838 19642 8373 1 17 . 1 1 31 31 GLU CA C 31 59.357 59.357 59.117 0.240 19642 8374 1 17 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.305 0.191 19642 8375 1 17 . 1 1 31 31 GLU H H 31 8.405 8.405 8.120 0.285 19642 8376 1 17 . 1 1 32 32 PHE N N 32 120.127 120.127 120.317 -0.190 19642 8377 1 17 . 1 1 32 32 PHE HA H 32 4.353 4.353 3.992 0.361 19642 8378 1 17 . 1 1 32 32 PHE C C 32 177.183 177.183 177.448 -0.265 19642 8379 1 17 . 1 1 32 32 PHE CA C 32 60.941 60.941 59.491 1.450 19642 8380 1 17 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.381 1.541 19642 8381 1 17 . 1 1 32 32 PHE H H 32 7.767 7.767 8.122 -0.355 19642 8382 1 17 . 1 1 33 33 PHE N N 33 112.879 112.879 116.728 -3.849 19642 8383 1 17 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.089 0.162 19642 8384 1 17 . 1 1 33 33 PHE C C 33 177.304 177.304 178.191 -0.887 19642 8385 1 17 . 1 1 33 33 PHE CA C 33 61.179 61.179 58.482 2.697 19642 8386 1 17 . 1 1 33 33 PHE CB C 33 38.580 38.580 37.821 0.759 19642 8387 1 17 . 1 1 33 33 PHE H H 33 8.489 8.489 7.270 1.219 19642 8388 1 17 . 1 1 34 34 SER N N 34 115.870 115.870 115.782 0.088 19642 8389 1 17 . 1 1 34 34 SER HA H 34 5.119 5.119 4.530 0.589 19642 8390 1 17 . 1 1 34 34 SER C C 34 175.464 175.464 176.419 -0.955 19642 8391 1 17 . 1 1 34 34 SER CA C 34 61.268 61.268 60.682 0.586 19642 8392 1 17 . 1 1 34 34 SER CB C 34 62.915 62.915 62.761 0.154 19642 8393 1 17 . 1 1 34 34 SER H H 34 7.997 7.997 8.563 -0.566 19642 8394 1 17 . 1 1 35 35 THR N N 35 110.934 110.934 112.972 -2.038 19642 8395 1 17 . 1 1 35 35 THR HA H 35 4.147 4.147 4.219 -0.072 19642 8396 1 17 . 1 1 35 35 THR C C 35 176.410 176.410 175.837 0.573 19642 8397 1 17 . 1 1 35 35 THR CA C 35 63.756 63.756 64.353 -0.597 19642 8398 1 17 . 1 1 35 35 THR CB C 35 68.802 68.802 69.474 -0.672 19642 8399 1 17 . 1 1 35 35 THR H H 35 7.188 7.188 7.791 -0.603 19642 8400 1 17 . 1 1 36 36 VAL N N 36 111.644 111.644 114.500 -2.856 19642 8401 1 17 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.654 -0.031 19642 8402 1 17 . 1 1 36 36 VAL C C 36 176.046 176.046 175.512 0.534 19642 8403 1 17 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.408 -0.936 19642 8404 1 17 . 1 1 36 36 VAL CB C 36 32.425 32.425 34.143 -1.718 19642 8405 1 17 . 1 1 36 36 VAL H H 36 7.665 7.665 7.835 -0.170 19642 8406 1 17 . 1 1 37 37 GLY N N 37 109.343 109.343 109.213 0.130 19642 8407 1 17 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.264 0.005 19642 8408 1 17 . 1 1 37 37 GLY H H 37 7.640 7.640 7.636 0.004 19642 8409 1 17 . 1 1 38 38 LYS N N 38 117.953 117.953 122.760 -4.807 19642 8410 1 17 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.211 0.328 19642 8411 1 17 . 1 1 38 38 LYS CA C 38 55.724 55.724 56.645 -0.921 19642 8412 1 17 . 1 1 38 38 LYS CB C 38 32.875 32.875 33.198 -0.323 19642 8413 1 17 . 1 1 38 38 LYS H H 38 8.246 8.246 8.443 -0.197 19642 8414 1 17 . 1 1 39 39 VAL N N 39 128.639 128.639 121.223 7.416 19642 8415 1 17 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.911 -0.226 19642 8416 1 17 . 1 1 39 39 VAL CA C 39 62.816 62.816 60.637 2.179 19642 8417 1 17 . 1 1 39 39 VAL CB C 39 32.992 32.992 33.334 -0.342 19642 8418 1 17 . 1 1 39 39 VAL H H 39 9.126 9.126 8.337 0.789 19642 8419 1 17 . 1 1 40 40 ARG N N 40 129.292 129.292 126.878 2.414 19642 8420 1 17 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.393 -0.114 19642 8421 1 17 . 1 1 40 40 ARG C C 40 175.643 175.643 175.629 0.014 19642 8422 1 17 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.069 -0.735 19642 8423 1 17 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.559 0.101 19642 8424 1 17 . 1 1 40 40 ARG H H 40 9.573 9.573 8.900 0.673 19642 8425 1 17 . 1 1 41 41 ASP N N 41 116.255 116.255 113.936 2.319 19642 8426 1 17 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.775 0.065 19642 8427 1 17 . 1 1 41 41 ASP C C 41 173.674 173.674 173.659 0.015 19642 8428 1 17 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.297 0.408 19642 8429 1 17 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.100 0.803 19642 8430 1 17 . 1 1 41 41 ASP H H 41 7.762 7.762 7.765 -0.003 19642 8431 1 17 . 1 1 42 42 VAL N N 42 122.442 122.442 117.822 4.620 19642 8432 1 17 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.455 0.180 19642 8433 1 17 . 1 1 42 42 VAL C C 42 174.714 174.714 175.598 -0.884 19642 8434 1 17 . 1 1 42 42 VAL CA C 42 61.274 61.274 59.855 1.419 19642 8435 1 17 . 1 1 42 42 VAL CB C 42 34.832 34.832 33.648 1.184 19642 8436 1 17 . 1 1 42 42 VAL H H 42 7.939 7.939 8.439 -0.500 19642 8437 1 17 . 1 1 43 43 ARG N N 43 126.687 126.687 121.489 5.198 19642 8438 1 17 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.594 0.171 19642 8439 1 17 . 1 1 43 43 ARG C C 43 175.278 175.278 175.058 0.220 19642 8440 1 17 . 1 1 43 43 ARG CA C 43 54.378 54.378 55.608 -1.230 19642 8441 1 17 . 1 1 43 43 ARG CB C 43 32.434 32.434 31.673 0.761 19642 8442 1 17 . 1 1 43 43 ARG H H 43 9.171 9.171 8.908 0.263 19642 8443 1 17 . 1 1 44 44 MET N N 44 123.092 123.092 120.831 2.261 19642 8444 1 17 . 1 1 44 44 MET HA H 44 4.906 4.906 4.480 0.426 19642 8445 1 17 . 1 1 44 44 MET C C 44 176.360 176.360 175.553 0.807 19642 8446 1 17 . 1 1 44 44 MET CA C 44 53.152 53.152 54.305 -1.153 19642 8447 1 17 . 1 1 44 44 MET CB C 44 32.940 32.940 32.460 0.480 19642 8448 1 17 . 1 1 44 44 MET H H 44 8.939 8.939 8.158 0.781 19642 8449 1 17 . 1 1 45 45 ILE N N 45 124.146 124.146 127.217 -3.071 19642 8450 1 17 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.193 0.267 19642 8451 1 17 . 1 1 45 45 ILE C C 45 175.961 175.961 176.338 -0.377 19642 8452 1 17 . 1 1 45 45 ILE CA C 45 59.947 59.947 61.203 -1.256 19642 8453 1 17 . 1 1 45 45 ILE CB C 45 38.193 38.193 37.914 0.279 19642 8454 1 17 . 1 1 45 45 ILE H H 45 8.319 8.319 8.323 -0.004 19642 8455 1 17 . 1 1 46 46 SER N N 46 121.541 121.541 120.571 0.970 19642 8456 1 17 . 1 1 46 46 SER HA H 46 4.709 4.709 4.436 0.273 19642 8457 1 17 . 1 1 46 46 SER C C 46 174.061 174.061 173.696 0.365 19642 8458 1 17 . 1 1 46 46 SER CA C 46 57.381 57.381 58.376 -0.995 19642 8459 1 17 . 1 1 46 46 SER CB C 46 64.273 64.273 63.422 0.851 19642 8460 1 17 . 1 1 46 46 SER H H 46 8.653 8.653 8.567 0.086 19642 8461 1 17 . 1 1 47 47 ASP N N 47 123.132 123.132 121.739 1.393 19642 8462 1 17 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.792 -0.134 19642 8463 1 17 . 1 1 47 47 ASP C C 47 177.203 177.203 175.603 1.600 19642 8464 1 17 . 1 1 47 47 ASP CA C 47 53.662 53.662 54.229 -0.567 19642 8465 1 17 . 1 1 47 47 ASP CB C 47 41.920 41.920 41.549 0.371 19642 8466 1 17 . 1 1 47 47 ASP H H 47 8.598 8.598 8.086 0.512 19642 8467 1 17 . 1 1 48 48 ARG N N 48 122.881 122.881 122.241 0.640 19642 8468 1 17 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.519 -0.312 19642 8469 1 17 . 1 1 48 48 ARG C C 48 177.090 177.090 176.076 1.014 19642 8470 1 17 . 1 1 48 48 ARG CA C 48 57.206 57.206 56.192 1.014 19642 8471 1 17 . 1 1 48 48 ARG CB C 48 29.775 29.775 32.155 -2.380 19642 8472 1 17 . 1 1 48 48 ARG H H 48 8.648 8.648 8.576 0.072 19642 8473 1 17 . 1 1 49 49 ASN N N 49 117.245 117.245 117.115 0.130 19642 8474 1 17 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.417 0.329 19642 8475 1 17 . 1 1 49 49 ASN C C 49 175.822 175.822 174.516 1.306 19642 8476 1 17 . 1 1 49 49 ASN CA C 49 53.592 53.592 53.719 -0.127 19642 8477 1 17 . 1 1 49 49 ASN CB C 49 38.910 38.910 37.669 1.241 19642 8478 1 17 . 1 1 49 49 ASN H H 49 8.502 8.502 8.676 -0.174 19642 8479 1 17 . 1 1 50 50 SER N N 50 114.891 114.891 110.552 4.339 19642 8480 1 17 . 1 1 50 50 SER HA H 50 4.429 4.429 4.132 0.297 19642 8481 1 17 . 1 1 50 50 SER C C 50 175.339 175.339 173.740 1.599 19642 8482 1 17 . 1 1 50 50 SER CA C 50 58.396 58.396 59.671 -1.275 19642 8483 1 17 . 1 1 50 50 SER CB C 50 63.681 63.681 63.038 0.643 19642 8484 1 17 . 1 1 50 50 SER H H 50 8.158 8.158 8.467 -0.309 19642 8485 1 17 . 1 1 51 51 ARG N N 51 120.957 120.957 117.985 2.972 19642 8486 1 17 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.472 -0.183 19642 8487 1 17 . 1 1 51 51 ARG C C 51 176.845 176.845 175.662 1.183 19642 8488 1 17 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.617 0.055 19642 8489 1 17 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.635 -1.015 19642 8490 1 17 . 1 1 51 51 ARG H H 51 8.451 8.451 7.731 0.720 19642 8491 1 17 . 1 1 52 52 ARG N N 52 119.405 119.405 118.108 1.297 19642 8492 1 17 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.480 -0.060 19642 8493 1 17 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.856 -1.091 19642 8494 1 17 . 1 1 52 52 ARG CB C 52 30.875 30.875 31.920 -1.045 19642 8495 1 17 . 1 1 52 52 ARG H H 52 8.159 8.159 8.747 -0.588 19642 8496 1 17 . 1 1 53 53 SER N N 53 116.328 116.328 113.947 2.381 19642 8497 1 17 . 1 1 53 53 SER HA H 53 4.492 4.492 4.484 0.008 19642 8498 1 17 . 1 1 53 53 SER CA C 53 58.142 58.142 57.952 0.190 19642 8499 1 17 . 1 1 53 53 SER CB C 53 63.447 63.447 64.033 -0.586 19642 8500 1 17 . 1 1 53 53 SER H H 53 8.370 8.370 8.146 0.224 19642 8501 1 17 . 1 1 54 54 LYS N N 54 122.099 122.099 122.080 0.019 19642 8502 1 17 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.159 0.340 19642 8503 1 17 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.079 -1.516 19642 8504 1 17 . 1 1 54 54 LYS CB C 54 33.079 33.079 31.324 1.755 19642 8505 1 17 . 1 1 54 54 LYS H H 54 8.374 8.374 8.441 -0.067 19642 8506 1 17 . 1 1 55 55 GLY N N 55 109.513 109.513 108.046 1.467 19642 8507 1 17 . 1 1 55 55 GLY C C 55 172.962 172.962 173.163 -0.201 19642 8508 1 17 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.402 1.492 19642 8509 1 17 . 1 1 55 55 GLY H H 55 8.592 8.592 8.636 -0.044 19642 8510 1 17 . 1 1 56 56 ILE N N 56 114.180 114.180 115.912 -1.732 19642 8511 1 17 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.400 -0.388 19642 8512 1 17 . 1 1 56 56 ILE C C 56 175.172 175.172 174.275 0.897 19642 8513 1 17 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.193 0.538 19642 8514 1 17 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.219 0.943 19642 8515 1 17 . 1 1 56 56 ILE H H 56 7.618 7.618 7.643 -0.025 19642 8516 1 17 . 1 1 57 57 ALA N N 57 121.556 121.556 125.269 -3.713 19642 8517 1 17 . 1 1 57 57 ALA HA H 57 5.120 5.120 4.915 0.205 19642 8518 1 17 . 1 1 57 57 ALA C C 57 175.094 175.094 175.042 0.052 19642 8519 1 17 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.011 -0.312 19642 8520 1 17 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.848 1.322 19642 8521 1 17 . 1 1 57 57 ALA H H 57 8.308 8.308 8.471 -0.163 19642 8522 1 17 . 1 1 58 58 TYR N N 58 118.387 118.387 119.065 -0.678 19642 8523 1 17 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.719 -0.238 19642 8524 1 17 . 1 1 58 58 TYR C C 58 175.537 175.537 175.096 0.441 19642 8525 1 17 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.634 -0.120 19642 8526 1 17 . 1 1 58 58 TYR CB C 58 40.607 40.607 42.417 -1.810 19642 8527 1 17 . 1 1 58 58 TYR H H 58 8.971 8.971 8.266 0.705 19642 8528 1 17 . 1 1 59 59 VAL N N 59 122.978 122.978 118.722 4.256 19642 8529 1 17 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.579 -0.203 19642 8530 1 17 . 1 1 59 59 VAL C C 59 172.631 172.631 173.315 -0.684 19642 8531 1 17 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.336 -0.119 19642 8532 1 17 . 1 1 59 59 VAL CB C 59 33.575 33.575 35.970 -2.395 19642 8533 1 17 . 1 1 59 59 VAL H H 59 8.828 8.828 8.393 0.435 19642 8534 1 17 . 1 1 60 60 GLU N N 60 128.557 128.557 128.024 0.533 19642 8535 1 17 . 1 1 60 60 GLU HA H 60 4.851 4.851 5.268 -0.417 19642 8536 1 17 . 1 1 60 60 GLU C C 60 176.210 176.210 175.305 0.905 19642 8537 1 17 . 1 1 60 60 GLU CA C 60 53.842 53.842 54.016 -0.174 19642 8538 1 17 . 1 1 60 60 GLU CB C 60 33.103 33.103 32.767 0.335 19642 8539 1 17 . 1 1 60 60 GLU H H 60 8.774 8.774 9.019 -0.245 19642 8540 1 17 . 1 1 61 61 PHE N N 61 126.659 126.659 125.178 1.481 19642 8541 1 17 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.425 0.491 19642 8542 1 17 . 1 1 61 61 PHE C C 61 176.011 176.011 176.331 -0.320 19642 8543 1 17 . 1 1 61 61 PHE CA C 61 58.586 58.586 59.985 -1.399 19642 8544 1 17 . 1 1 61 61 PHE CB C 61 41.038 41.038 40.344 0.694 19642 8545 1 17 . 1 1 61 61 PHE H H 61 9.340 9.340 8.186 1.154 19642 8546 1 17 . 1 1 62 62 VAL N N 62 118.280 118.280 119.949 -1.669 19642 8547 1 17 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.997 -0.254 19642 8548 1 17 . 1 1 62 62 VAL C C 62 176.097 176.097 175.554 0.543 19642 8549 1 17 . 1 1 62 62 VAL CA C 62 65.785 65.785 64.208 1.577 19642 8550 1 17 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.568 0.243 19642 8551 1 17 . 1 1 62 62 VAL H H 62 8.184 8.184 8.518 -0.334 19642 8552 1 17 . 1 1 63 63 ASP N N 63 118.269 118.269 119.281 -1.012 19642 8553 1 17 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.862 0.330 19642 8554 1 17 . 1 1 63 63 ASP C C 63 176.648 176.648 175.994 0.654 19642 8555 1 17 . 1 1 63 63 ASP CA C 63 52.639 52.639 53.554 -0.915 19642 8556 1 17 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.012 1.557 19642 8557 1 17 . 1 1 63 63 ASP H H 63 8.708 8.708 7.953 0.755 19642 8558 1 17 . 1 1 64 64 VAL N N 64 121.961 121.961 125.917 -3.956 19642 8559 1 17 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.569 0.242 19642 8560 1 17 . 1 1 64 64 VAL C C 64 178.439 178.439 176.732 1.707 19642 8561 1 17 . 1 1 64 64 VAL CA C 64 64.819 64.819 65.381 -0.562 19642 8562 1 17 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.326 -0.276 19642 8563 1 17 . 1 1 64 64 VAL H H 64 8.609 8.609 8.814 -0.205 19642 8564 1 17 . 1 1 65 65 SER N N 65 115.305 115.305 114.123 1.182 19642 8565 1 17 . 1 1 65 65 SER HA H 65 4.143 4.143 4.170 -0.027 19642 8566 1 17 . 1 1 65 65 SER C C 65 176.285 176.285 175.961 0.324 19642 8567 1 17 . 1 1 65 65 SER CA C 65 60.158 60.158 60.827 -0.669 19642 8568 1 17 . 1 1 65 65 SER CB C 65 62.066 62.066 62.645 -0.579 19642 8569 1 17 . 1 1 65 65 SER H H 65 8.492 8.492 8.206 0.286 19642 8570 1 17 . 1 1 66 66 SER N N 66 116.053 116.053 117.535 -1.482 19642 8571 1 17 . 1 1 66 66 SER HA H 66 4.024 4.024 3.921 0.103 19642 8572 1 17 . 1 1 66 66 SER C C 66 174.528 174.528 175.065 -0.537 19642 8573 1 17 . 1 1 66 66 SER CA C 66 60.749 60.749 59.810 0.939 19642 8574 1 17 . 1 1 66 66 SER CB C 66 63.063 63.063 61.398 1.665 19642 8575 1 17 . 1 1 66 66 SER H H 66 7.414 7.414 7.618 -0.204 19642 8576 1 17 . 1 1 67 67 VAL N N 67 119.830 119.830 122.637 -2.807 19642 8577 1 17 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.648 -0.328 19642 8578 1 17 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.474 0.564 19642 8579 1 17 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.710 -0.512 19642 8580 1 17 . 1 1 67 67 VAL H H 67 7.611 7.611 7.717 -0.106 19642 8581 1 17 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.244 0.021 19642 8582 1 17 . 1 1 68 68 PRO C C 68 180.457 180.457 178.222 2.235 19642 8583 1 17 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.377 -0.305 19642 8584 1 17 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.241 -0.502 19642 8585 1 17 . 1 1 69 69 LEU N N 69 115.334 115.334 121.029 -5.695 19642 8586 1 17 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.905 0.194 19642 8587 1 17 . 1 1 69 69 LEU C C 69 179.450 179.450 178.036 1.414 19642 8588 1 17 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.716 -1.274 19642 8589 1 17 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.250 -0.128 19642 8590 1 17 . 1 1 69 69 LEU H H 69 6.284 6.284 7.270 -0.986 19642 8591 1 17 . 1 1 70 70 ALA N N 70 122.703 122.703 120.705 1.998 19642 8592 1 17 . 1 1 70 70 ALA HA H 70 4.175 4.175 3.892 0.283 19642 8593 1 17 . 1 1 70 70 ALA C C 70 180.611 180.611 180.438 0.173 19642 8594 1 17 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.721 0.174 19642 8595 1 17 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.879 1.665 19642 8596 1 17 . 1 1 70 70 ALA H H 70 8.342 8.342 7.256 1.086 19642 8597 1 17 . 1 1 71 71 ILE N N 71 118.692 118.692 119.315 -0.623 19642 8598 1 17 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.627 0.638 19642 8599 1 17 . 1 1 71 71 ILE C C 71 179.971 179.971 178.241 1.730 19642 8600 1 17 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.827 0.290 19642 8601 1 17 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.596 1.004 19642 8602 1 17 . 1 1 71 71 ILE H H 71 8.255 8.255 7.466 0.789 19642 8603 1 17 . 1 1 72 72 GLY N N 72 106.417 106.417 106.119 0.298 19642 8604 1 17 . 1 1 72 72 GLY C C 72 174.590 174.590 175.350 -0.760 19642 8605 1 17 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.834 -0.943 19642 8606 1 17 . 1 1 72 72 GLY H H 72 7.635 7.635 8.071 -0.436 19642 8607 1 17 . 1 1 73 73 LEU N N 73 120.383 120.383 119.781 0.602 19642 8608 1 17 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.647 -0.236 19642 8609 1 17 . 1 1 73 73 LEU C C 73 176.338 176.338 178.008 -1.670 19642 8610 1 17 . 1 1 73 73 LEU CA C 73 54.949 54.949 53.855 1.094 19642 8611 1 17 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.549 -0.956 19642 8612 1 17 . 1 1 73 73 LEU H H 73 7.767 7.767 7.432 0.335 19642 8613 1 17 . 1 1 74 74 THR N N 74 115.157 115.157 117.014 -1.857 19642 8614 1 17 . 1 1 74 74 THR HA H 74 4.060 4.060 4.287 -0.227 19642 8615 1 17 . 1 1 74 74 THR C C 74 175.656 175.656 176.336 -0.680 19642 8616 1 17 . 1 1 74 74 THR CA C 74 66.177 66.177 66.275 -0.098 19642 8617 1 17 . 1 1 74 74 THR CB C 74 69.821 69.821 68.817 1.004 19642 8618 1 17 . 1 1 74 74 THR H H 74 7.731 7.731 7.924 -0.193 19642 8619 1 17 . 1 1 75 75 GLY N N 75 117.587 117.587 107.440 10.147 19642 8620 1 17 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.752 -0.127 19642 8621 1 17 . 1 1 75 75 GLY H H 75 9.519 9.519 8.334 1.185 19642 8622 1 17 . 1 1 76 76 GLN N N 76 120.027 120.027 120.529 -0.502 19642 8623 1 17 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.390 -0.076 19642 8624 1 17 . 1 1 76 76 GLN C C 76 175.015 175.015 175.024 -0.009 19642 8625 1 17 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.871 -0.052 19642 8626 1 17 . 1 1 76 76 GLN CB C 76 28.220 28.220 29.873 -1.653 19642 8627 1 17 . 1 1 76 76 GLN H H 76 8.319 8.319 7.873 0.446 19642 8628 1 17 . 1 1 77 77 ARG N N 77 118.759 118.759 116.998 1.761 19642 8629 1 17 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.560 -0.429 19642 8630 1 17 . 1 1 77 77 ARG C C 77 176.209 176.209 175.256 0.953 19642 8631 1 17 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.183 0.908 19642 8632 1 17 . 1 1 77 77 ARG CB C 77 31.364 31.364 30.071 1.293 19642 8633 1 17 . 1 1 77 77 ARG H H 77 8.544 8.544 8.676 -0.132 19642 8634 1 17 . 1 1 78 78 VAL N N 78 123.886 123.886 124.714 -0.828 19642 8635 1 17 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.609 0.226 19642 8636 1 17 . 1 1 78 78 VAL C C 78 176.570 176.570 175.867 0.703 19642 8637 1 17 . 1 1 78 78 VAL CA C 78 61.470 61.470 63.977 -2.507 19642 8638 1 17 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.128 1.074 19642 8639 1 17 . 1 1 78 78 VAL H H 78 8.015 8.015 8.155 -0.140 19642 8640 1 17 . 1 1 79 79 LEU N N 79 129.331 129.331 127.176 2.155 19642 8641 1 17 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.848 -0.016 19642 8642 1 17 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.064 0.709 19642 8643 1 17 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.205 0.336 19642 8644 1 17 . 1 1 79 79 LEU H H 79 9.570 9.570 8.774 0.796 19642 8645 1 17 . 1 1 80 80 GLY N N 80 100.301 100.301 105.071 -4.770 19642 8646 1 17 . 1 1 80 80 GLY CA C 80 45.229 45.229 45.253 -0.024 19642 8647 1 17 . 1 1 80 80 GLY H H 80 8.316 8.316 8.107 0.209 19642 8648 1 17 . 1 1 81 81 VAL N N 81 122.763 122.763 120.065 2.698 19642 8649 1 17 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.514 0.123 19642 8650 1 17 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.235 1.120 19642 8651 1 17 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.684 3.212 19642 8652 1 17 . 1 1 81 81 VAL H H 81 7.632 7.632 7.586 0.046 19642 8653 1 17 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.655 -0.323 19642 8654 1 17 . 1 1 82 82 PRO C C 82 175.005 175.005 175.664 -0.659 19642 8655 1 17 . 1 1 82 82 PRO CA C 82 62.503 62.503 61.689 0.814 19642 8656 1 17 . 1 1 82 82 PRO CB C 82 31.280 31.280 33.152 -1.872 19642 8657 1 17 . 1 1 83 83 ILE N N 83 126.022 126.022 116.819 9.203 19642 8658 1 17 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.470 0.156 19642 8659 1 17 . 1 1 83 83 ILE C C 83 175.679 175.679 174.068 1.611 19642 8660 1 17 . 1 1 83 83 ILE CA C 83 60.969 60.969 59.198 1.771 19642 8661 1 17 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.305 -0.392 19642 8662 1 17 . 1 1 83 83 ILE H H 83 8.391 8.391 7.710 0.681 19642 8663 1 17 . 1 1 84 84 ILE N N 84 125.284 125.284 126.119 -0.835 19642 8664 1 17 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.308 0.125 19642 8665 1 17 . 1 1 84 84 ILE C C 84 174.418 174.418 177.728 -3.310 19642 8666 1 17 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.782 1.531 19642 8667 1 17 . 1 1 84 84 ILE CB C 84 39.900 39.900 37.285 2.615 19642 8668 1 17 . 1 1 84 84 ILE H H 84 7.842 7.842 8.687 -0.845 19642 8669 1 17 . 1 1 85 85 VAL N N 85 128.143 128.143 122.832 5.311 19642 8670 1 17 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.725 -0.108 19642 8671 1 17 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.248 0.639 19642 8672 1 17 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.706 2.363 19642 8673 1 17 . 1 1 85 85 VAL H H 85 8.400 8.400 8.534 -0.134 19642 8674 1 17 . 1 1 86 86 GLN N N 86 122.965 122.965 118.800 4.165 19642 8675 1 17 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.137 0.766 19642 8676 1 17 . 1 1 86 86 GLN C C 86 175.590 175.590 176.566 -0.976 19642 8677 1 17 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.610 3.146 19642 8678 1 17 . 1 1 86 86 GLN CB C 86 34.013 34.013 29.014 4.999 19642 8679 1 17 . 1 1 86 86 GLN H H 86 9.242 9.242 7.927 1.315 19642 8680 1 17 . 1 1 87 87 ALA N N 87 123.174 123.174 120.064 3.110 19642 8681 1 17 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.059 0.297 19642 8682 1 17 . 1 1 87 87 ALA C C 87 178.095 178.095 175.988 2.107 19642 8683 1 17 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.947 -0.122 19642 8684 1 17 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.198 0.336 19642 8685 1 17 . 1 1 87 87 ALA H H 87 8.907 8.907 8.156 0.751 19642 8686 1 17 . 1 1 88 88 SER N N 88 114.952 114.952 117.698 -2.746 19642 8687 1 17 . 1 1 88 88 SER HA H 88 4.294 4.294 4.735 -0.441 19642 8688 1 17 . 1 1 88 88 SER C C 88 175.470 175.470 173.892 1.578 19642 8689 1 17 . 1 1 88 88 SER CA C 88 59.617 59.617 58.008 1.609 19642 8690 1 17 . 1 1 88 88 SER CB C 88 63.409 63.409 64.018 -0.609 19642 8691 1 17 . 1 1 88 88 SER H H 88 8.343 8.343 8.548 -0.205 19642 8692 1 17 . 1 1 89 89 GLN N N 89 121.151 121.151 126.249 -5.098 19642 8693 1 17 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.505 -0.192 19642 8694 1 17 . 1 1 89 89 GLN C C 89 175.838 175.838 175.471 0.367 19642 8695 1 17 . 1 1 89 89 GLN CA C 89 55.286 55.286 55.076 0.210 19642 8696 1 17 . 1 1 89 89 GLN CB C 89 29.333 29.333 31.010 -1.677 19642 8697 1 17 . 1 1 89 89 GLN H H 89 8.348 8.348 8.557 -0.209 19642 8698 1 17 . 1 1 90 90 ALA N N 90 124.942 124.942 126.742 -1.800 19642 8699 1 17 . 1 1 90 90 ALA HA H 90 4.203 4.203 3.965 0.238 19642 8700 1 17 . 1 1 90 90 ALA C C 90 178.381 178.381 177.578 0.803 19642 8701 1 17 . 1 1 90 90 ALA CA C 90 52.762 52.762 53.281 -0.519 19642 8702 1 17 . 1 1 90 90 ALA CB C 90 19.071 19.071 18.529 0.542 19642 8703 1 17 . 1 1 90 90 ALA H H 90 8.245 8.245 8.512 -0.267 19642 8704 1 17 . 1 1 91 91 GLU N N 91 119.604 119.604 121.843 -2.239 19642 8705 1 17 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.338 -0.185 19642 8706 1 17 . 1 1 91 91 GLU C C 91 176.986 176.986 175.922 1.064 19642 8707 1 17 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.086 0.449 19642 8708 1 17 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.448 1.581 19642 8709 1 17 . 1 1 91 91 GLU H H 91 8.414 8.414 8.633 -0.219 19642 8710 1 17 . 1 1 92 92 LYS N N 92 121.284 121.284 120.713 0.571 19642 8711 1 17 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.518 -0.228 19642 8712 1 17 . 1 1 92 92 LYS C C 92 176.699 176.699 174.987 1.712 19642 8713 1 17 . 1 1 92 92 LYS CA C 92 56.042 56.042 54.880 1.162 19642 8714 1 17 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.846 -1.141 19642 8715 1 17 . 1 1 92 92 LYS H H 92 8.212 8.212 7.574 0.638 19642 8716 1 17 . 1 1 93 93 ASN N N 93 119.221 119.221 118.863 0.358 19642 8717 1 17 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.385 0.315 19642 8718 1 17 . 1 1 93 93 ASN C C 93 174.424 174.424 173.704 0.720 19642 8719 1 17 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.385 -0.275 19642 8720 1 17 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.720 0.006 19642 8721 1 17 . 1 1 93 93 ASN H H 93 8.370 8.370 8.457 -0.087 19642 8722 1 18 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.762 -0.069 19642 8723 1 18 . 1 1 2 2 HIS C C 2 175.244 175.244 173.977 1.267 19642 8724 1 18 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.600 -0.751 19642 8725 1 18 . 1 1 2 2 HIS CB C 2 30.165 30.165 30.684 -0.519 19642 8726 1 18 . 1 1 3 3 MET HA H 3 4.464 4.464 4.799 -0.335 19642 8727 1 18 . 1 1 3 3 MET C C 3 175.896 175.896 174.852 1.044 19642 8728 1 18 . 1 1 3 3 MET CA C 3 55.188 55.188 56.284 -1.096 19642 8729 1 18 . 1 1 3 3 MET CB C 3 32.736 32.736 32.719 0.017 19642 8730 1 18 . 1 1 4 4 ASN N N 4 120.610 120.610 120.772 -0.162 19642 8731 1 18 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.804 -0.052 19642 8732 1 18 . 1 1 4 4 ASN C C 4 175.033 175.033 174.663 0.370 19642 8733 1 18 . 1 1 4 4 ASN CA C 4 52.728 52.728 52.868 -0.140 19642 8734 1 18 . 1 1 4 4 ASN CB C 4 38.604 38.604 38.849 -0.244 19642 8735 1 18 . 1 1 4 4 ASN H H 4 8.564 8.564 8.458 0.106 19642 8736 1 18 . 1 1 5 5 LEU N N 5 122.314 122.314 123.311 -0.997 19642 8737 1 18 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.281 0.329 19642 8738 1 18 . 1 1 5 5 LEU C C 5 178.178 178.178 177.123 1.055 19642 8739 1 18 . 1 1 5 5 LEU CA C 5 54.305 54.305 55.785 -1.480 19642 8740 1 18 . 1 1 5 5 LEU CB C 5 43.343 43.343 42.719 0.624 19642 8741 1 18 . 1 1 5 5 LEU H H 5 8.046 8.046 7.987 0.059 19642 8742 1 18 . 1 1 6 6 THR N N 6 115.483 115.483 120.042 -4.559 19642 8743 1 18 . 1 1 6 6 THR HA H 6 4.626 4.626 4.501 0.125 19642 8744 1 18 . 1 1 6 6 THR CA C 6 60.039 60.039 59.477 0.562 19642 8745 1 18 . 1 1 6 6 THR CB C 6 68.119 68.119 70.179 -2.060 19642 8746 1 18 . 1 1 6 6 THR H H 6 8.948 8.948 8.127 0.821 19642 8747 1 18 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.364 -0.221 19642 8748 1 18 . 1 1 7 7 PRO CA C 7 65.573 65.573 64.948 0.625 19642 8749 1 18 . 1 1 7 7 PRO CB C 7 31.640 31.640 32.106 -0.466 19642 8750 1 18 . 1 1 8 8 GLU N N 8 116.691 116.691 119.775 -3.084 19642 8751 1 18 . 1 1 8 8 GLU HA H 8 4.111 4.111 3.951 0.160 19642 8752 1 18 . 1 1 8 8 GLU CA C 8 59.572 59.572 60.053 -0.481 19642 8753 1 18 . 1 1 8 8 GLU CB C 8 28.889 28.889 28.810 0.079 19642 8754 1 18 . 1 1 8 8 GLU H H 8 8.753 8.753 8.135 0.618 19642 8755 1 18 . 1 1 9 9 GLU N N 9 121.235 121.235 118.216 3.019 19642 8756 1 18 . 1 1 9 9 GLU HA H 9 4.041 4.041 3.937 0.104 19642 8757 1 18 . 1 1 9 9 GLU C C 9 180.194 180.194 178.840 1.354 19642 8758 1 18 . 1 1 9 9 GLU CA C 9 58.527 58.527 60.317 -1.790 19642 8759 1 18 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.072 1.494 19642 8760 1 18 . 1 1 9 9 GLU H H 9 7.823 7.823 8.820 -0.997 19642 8761 1 18 . 1 1 10 10 ARG N N 10 120.373 120.373 117.939 2.434 19642 8762 1 18 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.130 -0.243 19642 8763 1 18 . 1 1 10 10 ARG C C 10 180.714 180.714 177.567 3.147 19642 8764 1 18 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.895 0.890 19642 8765 1 18 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.138 -0.267 19642 8766 1 18 . 1 1 10 10 ARG H H 10 8.363 8.363 7.520 0.843 19642 8767 1 18 . 1 1 11 11 ASP N N 11 123.103 123.103 119.077 4.026 19642 8768 1 18 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.599 -0.285 19642 8769 1 18 . 1 1 11 11 ASP C C 11 179.081 179.081 177.138 1.943 19642 8770 1 18 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.137 1.546 19642 8771 1 18 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.380 -1.358 19642 8772 1 18 . 1 1 11 11 ASP H H 11 8.709 8.709 7.707 1.002 19642 8773 1 18 . 1 1 12 12 ALA N N 12 119.926 119.926 121.916 -1.990 19642 8774 1 18 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.208 0.035 19642 8775 1 18 . 1 1 12 12 ALA C C 12 177.593 177.593 177.505 0.088 19642 8776 1 18 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.956 -0.148 19642 8777 1 18 . 1 1 12 12 ALA CB C 12 18.341 18.341 20.083 -1.742 19642 8778 1 18 . 1 1 12 12 ALA H H 12 7.615 7.615 8.069 -0.454 19642 8779 1 18 . 1 1 13 13 ARG N N 13 113.504 113.504 113.108 0.396 19642 8780 1 18 . 1 1 13 13 ARG HA H 13 4.427 4.427 3.942 0.485 19642 8781 1 18 . 1 1 13 13 ARG C C 13 174.905 174.905 174.809 0.096 19642 8782 1 18 . 1 1 13 13 ARG CA C 13 55.588 55.588 57.646 -2.058 19642 8783 1 18 . 1 1 13 13 ARG CB C 13 30.789 30.789 29.098 1.691 19642 8784 1 18 . 1 1 13 13 ARG H H 13 7.204 7.204 8.079 -0.875 19642 8785 1 18 . 1 1 14 14 THR N N 14 117.103 117.103 111.394 5.709 19642 8786 1 18 . 1 1 14 14 THR HA H 14 5.589 5.589 5.380 0.209 19642 8787 1 18 . 1 1 14 14 THR C C 14 174.610 174.610 174.092 0.518 19642 8788 1 18 . 1 1 14 14 THR CA C 14 61.993 61.993 60.837 1.155 19642 8789 1 18 . 1 1 14 14 THR CB C 14 70.185 70.185 72.074 -1.889 19642 8790 1 18 . 1 1 14 14 THR H H 14 7.685 7.685 7.568 0.117 19642 8791 1 18 . 1 1 15 15 VAL N N 15 117.127 117.127 117.906 -0.779 19642 8792 1 18 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.622 0.458 19642 8793 1 18 . 1 1 15 15 VAL C C 15 173.786 173.786 173.482 0.304 19642 8794 1 18 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.617 -1.032 19642 8795 1 18 . 1 1 15 15 VAL CB C 15 33.823 33.823 34.228 -0.405 19642 8796 1 18 . 1 1 15 15 VAL H H 15 9.154 9.154 8.857 0.297 19642 8797 1 18 . 1 1 16 16 PHE N N 16 122.697 122.697 122.334 0.363 19642 8798 1 18 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.769 0.414 19642 8799 1 18 . 1 1 16 16 PHE C C 16 174.520 174.520 174.050 0.470 19642 8800 1 18 . 1 1 16 16 PHE CA C 16 54.981 54.981 55.497 -0.516 19642 8801 1 18 . 1 1 16 16 PHE CB C 16 42.266 42.266 40.076 2.190 19642 8802 1 18 . 1 1 16 16 PHE H H 16 9.359 9.359 8.665 0.694 19642 8803 1 18 . 1 1 17 17 CYS N N 17 122.356 122.356 127.577 -5.221 19642 8804 1 18 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.396 1.171 19642 8805 1 18 . 1 1 17 17 CYS C C 17 173.018 173.018 173.617 -0.599 19642 8806 1 18 . 1 1 17 17 CYS CA C 17 55.708 55.708 59.137 -3.429 19642 8807 1 18 . 1 1 17 17 CYS CB C 17 30.776 30.776 29.230 1.546 19642 8808 1 18 . 1 1 17 17 CYS H H 17 8.931 8.931 9.067 -0.136 19642 8809 1 18 . 1 1 18 18 MET N N 18 117.884 117.884 124.547 -6.663 19642 8810 1 18 . 1 1 18 18 MET HA H 18 4.846 4.846 4.754 0.092 19642 8811 1 18 . 1 1 18 18 MET C C 18 173.706 173.706 174.870 -1.164 19642 8812 1 18 . 1 1 18 18 MET CA C 18 53.623 53.623 54.952 -1.329 19642 8813 1 18 . 1 1 18 18 MET CB C 18 31.772 31.772 32.525 -0.753 19642 8814 1 18 . 1 1 18 18 MET H H 18 8.818 8.818 8.691 0.127 19642 8815 1 18 . 1 1 19 19 GLN N N 19 115.022 115.022 120.537 -5.515 19642 8816 1 18 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.497 -0.799 19642 8817 1 18 . 1 1 19 19 GLN C C 19 173.403 173.403 173.395 0.008 19642 8818 1 18 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.403 2.606 19642 8819 1 18 . 1 1 19 19 GLN CB C 19 27.922 27.922 30.033 -2.111 19642 8820 1 18 . 1 1 19 19 GLN H H 19 8.463 8.463 8.143 0.320 19642 8821 1 18 . 1 1 20 20 LEU N N 20 116.032 116.032 120.336 -4.304 19642 8822 1 18 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.382 -0.128 19642 8823 1 18 . 1 1 20 20 LEU C C 20 177.827 177.827 176.834 0.993 19642 8824 1 18 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.662 -2.067 19642 8825 1 18 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.571 0.687 19642 8826 1 18 . 1 1 20 20 LEU H H 20 7.685 7.685 7.702 -0.017 19642 8827 1 18 . 1 1 21 21 ALA N N 21 125.644 125.644 121.451 4.193 19642 8828 1 18 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.542 -0.397 19642 8829 1 18 . 1 1 21 21 ALA C C 21 178.868 178.868 176.808 2.060 19642 8830 1 18 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.130 0.530 19642 8831 1 18 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.448 -1.094 19642 8832 1 18 . 1 1 21 21 ALA H H 21 9.473 9.473 7.925 1.548 19642 8833 1 18 . 1 1 22 22 ALA N N 22 124.495 124.495 121.780 2.715 19642 8834 1 18 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.281 -0.172 19642 8835 1 18 . 1 1 22 22 ALA C C 22 179.705 179.705 177.361 2.344 19642 8836 1 18 . 1 1 22 22 ALA CA C 22 54.560 54.560 52.935 1.625 19642 8837 1 18 . 1 1 22 22 ALA CB C 22 18.358 18.358 19.140 -0.782 19642 8838 1 18 . 1 1 22 22 ALA H H 22 8.583 8.583 8.337 0.246 19642 8839 1 18 . 1 1 23 23 ARG N N 23 111.716 111.716 118.337 -6.621 19642 8840 1 18 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.565 -0.197 19642 8841 1 18 . 1 1 23 23 ARG C C 23 176.243 176.243 174.692 1.551 19642 8842 1 18 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.350 -0.214 19642 8843 1 18 . 1 1 23 23 ARG CB C 23 29.161 29.161 29.116 0.045 19642 8844 1 18 . 1 1 23 23 ARG H H 23 7.905 7.905 8.109 -0.204 19642 8845 1 18 . 1 1 24 24 ILE N N 24 121.734 121.734 122.008 -0.274 19642 8846 1 18 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.365 -0.473 19642 8847 1 18 . 1 1 24 24 ILE C C 24 173.297 173.297 175.050 -1.753 19642 8848 1 18 . 1 1 24 24 ILE CA C 24 61.336 61.336 60.292 1.044 19642 8849 1 18 . 1 1 24 24 ILE CB C 24 38.751 38.751 40.100 -1.349 19642 8850 1 18 . 1 1 24 24 ILE H H 24 7.270 7.270 8.065 -0.795 19642 8851 1 18 . 1 1 25 25 ARG N N 25 125.810 125.810 128.642 -2.832 19642 8852 1 18 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.592 0.363 19642 8853 1 18 . 1 1 25 25 ARG CA C 25 52.417 52.417 54.666 -2.249 19642 8854 1 18 . 1 1 25 25 ARG CB C 25 30.964 30.964 29.996 0.968 19642 8855 1 18 . 1 1 25 25 ARG H H 25 8.994 8.994 8.388 0.606 19642 8856 1 18 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.272 -0.212 19642 8857 1 18 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.605 1.067 19642 8858 1 18 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.045 -0.585 19642 8859 1 18 . 1 1 27 27 ARG N N 27 114.118 114.118 117.470 -3.352 19642 8860 1 18 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.307 -0.067 19642 8861 1 18 . 1 1 27 27 ARG C C 27 178.376 178.376 177.476 0.900 19642 8862 1 18 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.722 -0.607 19642 8863 1 18 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.776 -0.235 19642 8864 1 18 . 1 1 27 27 ARG H H 27 8.362 8.362 8.472 -0.110 19642 8865 1 18 . 1 1 28 28 ASP N N 28 116.954 116.954 119.775 -2.821 19642 8866 1 18 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.431 0.030 19642 8867 1 18 . 1 1 28 28 ASP C C 28 180.328 180.328 177.432 2.896 19642 8868 1 18 . 1 1 28 28 ASP CA C 28 57.527 57.527 56.939 0.588 19642 8869 1 18 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.510 1.054 19642 8870 1 18 . 1 1 28 28 ASP H H 28 7.688 7.688 7.611 0.077 19642 8871 1 18 . 1 1 29 29 LEU N N 29 117.931 117.931 118.630 -0.699 19642 8872 1 18 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.158 0.159 19642 8873 1 18 . 1 1 29 29 LEU C C 29 178.541 178.541 178.468 0.073 19642 8874 1 18 . 1 1 29 29 LEU CA C 29 56.849 56.849 56.994 -0.145 19642 8875 1 18 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.481 0.291 19642 8876 1 18 . 1 1 29 29 LEU H H 29 7.173 7.173 7.746 -0.573 19642 8877 1 18 . 1 1 30 30 GLU N N 30 121.321 121.321 119.936 1.385 19642 8878 1 18 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.041 -0.253 19642 8879 1 18 . 1 1 30 30 GLU C C 30 179.497 179.497 178.655 0.842 19642 8880 1 18 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.700 0.599 19642 8881 1 18 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.046 0.627 19642 8882 1 18 . 1 1 30 30 GLU H H 30 8.632 8.632 7.800 0.832 19642 8883 1 18 . 1 1 31 31 GLU N N 31 118.162 118.162 118.123 0.039 19642 8884 1 18 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.219 -0.152 19642 8885 1 18 . 1 1 31 31 GLU C C 31 179.635 179.635 177.309 2.326 19642 8886 1 18 . 1 1 31 31 GLU CA C 31 59.357 59.357 57.524 1.833 19642 8887 1 18 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.660 -0.164 19642 8888 1 18 . 1 1 31 31 GLU H H 31 8.405 8.405 7.861 0.544 19642 8889 1 18 . 1 1 32 32 PHE N N 32 120.127 120.127 120.417 -0.290 19642 8890 1 18 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.222 0.131 19642 8891 1 18 . 1 1 32 32 PHE C C 32 177.183 177.183 176.801 0.382 19642 8892 1 18 . 1 1 32 32 PHE CA C 32 60.941 60.941 59.873 1.069 19642 8893 1 18 . 1 1 32 32 PHE CB C 32 39.922 39.922 39.263 0.659 19642 8894 1 18 . 1 1 32 32 PHE H H 32 7.767 7.767 7.670 0.097 19642 8895 1 18 . 1 1 33 33 PHE N N 33 112.879 112.879 117.648 -4.769 19642 8896 1 18 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.078 0.173 19642 8897 1 18 . 1 1 33 33 PHE C C 33 177.304 177.304 177.680 -0.376 19642 8898 1 18 . 1 1 33 33 PHE CA C 33 61.179 61.179 58.933 2.246 19642 8899 1 18 . 1 1 33 33 PHE CB C 33 38.580 38.580 37.687 0.893 19642 8900 1 18 . 1 1 33 33 PHE H H 33 8.489 8.489 7.686 0.803 19642 8901 1 18 . 1 1 34 34 SER N N 34 115.870 115.870 116.205 -0.335 19642 8902 1 18 . 1 1 34 34 SER HA H 34 5.119 5.119 4.425 0.694 19642 8903 1 18 . 1 1 34 34 SER C C 34 175.464 175.464 176.586 -1.122 19642 8904 1 18 . 1 1 34 34 SER CA C 34 61.268 61.268 61.025 0.243 19642 8905 1 18 . 1 1 34 34 SER CB C 34 62.915 62.915 63.142 -0.227 19642 8906 1 18 . 1 1 34 34 SER H H 34 7.997 7.997 8.108 -0.111 19642 8907 1 18 . 1 1 35 35 THR N N 35 110.934 110.934 114.852 -3.918 19642 8908 1 18 . 1 1 35 35 THR HA H 35 4.147 4.147 4.221 -0.074 19642 8909 1 18 . 1 1 35 35 THR C C 35 176.410 176.410 175.502 0.908 19642 8910 1 18 . 1 1 35 35 THR CA C 35 63.756 63.756 64.333 -0.577 19642 8911 1 18 . 1 1 35 35 THR CB C 35 68.802 68.802 69.168 -0.366 19642 8912 1 18 . 1 1 35 35 THR H H 35 7.188 7.188 7.754 -0.566 19642 8913 1 18 . 1 1 36 36 VAL N N 36 111.644 111.644 113.929 -2.285 19642 8914 1 18 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.576 0.047 19642 8915 1 18 . 1 1 36 36 VAL C C 36 176.046 176.046 175.920 0.126 19642 8916 1 18 . 1 1 36 36 VAL CA C 36 60.472 60.472 62.127 -1.655 19642 8917 1 18 . 1 1 36 36 VAL CB C 36 32.425 32.425 34.630 -2.205 19642 8918 1 18 . 1 1 36 36 VAL H H 36 7.665 7.665 7.766 -0.101 19642 8919 1 18 . 1 1 37 37 GLY N N 37 109.343 109.343 110.208 -0.865 19642 8920 1 18 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.216 0.053 19642 8921 1 18 . 1 1 37 37 GLY H H 37 7.640 7.640 8.344 -0.704 19642 8922 1 18 . 1 1 38 38 LYS N N 38 117.953 117.953 119.855 -1.902 19642 8923 1 18 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.542 -0.003 19642 8924 1 18 . 1 1 38 38 LYS CA C 38 55.724 55.724 54.960 0.764 19642 8925 1 18 . 1 1 38 38 LYS CB C 38 32.875 32.875 34.518 -1.643 19642 8926 1 18 . 1 1 38 38 LYS H H 38 8.246 8.246 8.437 -0.191 19642 8927 1 18 . 1 1 39 39 VAL N N 39 128.639 128.639 124.101 4.538 19642 8928 1 18 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.456 0.229 19642 8929 1 18 . 1 1 39 39 VAL CA C 39 62.816 62.816 61.245 1.571 19642 8930 1 18 . 1 1 39 39 VAL CB C 39 32.992 32.992 33.234 -0.242 19642 8931 1 18 . 1 1 39 39 VAL H H 39 9.126 9.126 8.353 0.773 19642 8932 1 18 . 1 1 40 40 ARG N N 40 129.292 129.292 128.741 0.551 19642 8933 1 18 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.248 0.031 19642 8934 1 18 . 1 1 40 40 ARG C C 40 175.643 175.643 176.007 -0.364 19642 8935 1 18 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.634 -1.300 19642 8936 1 18 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.373 0.287 19642 8937 1 18 . 1 1 40 40 ARG H H 40 9.573 9.573 8.714 0.859 19642 8938 1 18 . 1 1 41 41 ASP N N 41 116.255 116.255 115.083 1.172 19642 8939 1 18 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.913 -0.073 19642 8940 1 18 . 1 1 41 41 ASP C C 41 173.674 173.674 173.763 -0.089 19642 8941 1 18 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.647 0.058 19642 8942 1 18 . 1 1 41 41 ASP CB C 41 44.903 44.903 45.907 -1.004 19642 8943 1 18 . 1 1 41 41 ASP H H 41 7.762 7.762 7.942 -0.180 19642 8944 1 18 . 1 1 42 42 VAL N N 42 122.442 122.442 115.695 6.747 19642 8945 1 18 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.987 -0.352 19642 8946 1 18 . 1 1 42 42 VAL C C 42 174.714 174.714 174.740 -0.026 19642 8947 1 18 . 1 1 42 42 VAL CA C 42 61.274 61.274 60.273 1.001 19642 8948 1 18 . 1 1 42 42 VAL CB C 42 34.832 34.832 34.934 -0.102 19642 8949 1 18 . 1 1 42 42 VAL H H 42 7.939 7.939 8.383 -0.444 19642 8950 1 18 . 1 1 43 43 ARG N N 43 126.687 126.687 125.239 1.448 19642 8951 1 18 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.814 -0.049 19642 8952 1 18 . 1 1 43 43 ARG C C 43 175.278 175.278 174.891 0.387 19642 8953 1 18 . 1 1 43 43 ARG CA C 43 54.378 54.378 55.268 -0.890 19642 8954 1 18 . 1 1 43 43 ARG CB C 43 32.434 32.434 34.392 -1.958 19642 8955 1 18 . 1 1 43 43 ARG H H 43 9.171 9.171 9.051 0.120 19642 8956 1 18 . 1 1 44 44 MET N N 44 123.092 123.092 121.606 1.486 19642 8957 1 18 . 1 1 44 44 MET HA H 44 4.906 4.906 5.154 -0.248 19642 8958 1 18 . 1 1 44 44 MET C C 44 176.360 176.360 175.687 0.673 19642 8959 1 18 . 1 1 44 44 MET CA C 44 53.152 53.152 54.759 -1.607 19642 8960 1 18 . 1 1 44 44 MET CB C 44 32.940 32.940 35.623 -2.683 19642 8961 1 18 . 1 1 44 44 MET H H 44 8.939 8.939 8.699 0.240 19642 8962 1 18 . 1 1 45 45 ILE N N 45 124.146 124.146 123.720 0.426 19642 8963 1 18 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.526 -0.066 19642 8964 1 18 . 1 1 45 45 ILE C C 45 175.961 175.961 175.448 0.513 19642 8965 1 18 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.440 -0.493 19642 8966 1 18 . 1 1 45 45 ILE CB C 45 38.193 38.193 39.881 -1.688 19642 8967 1 18 . 1 1 45 45 ILE H H 45 8.319 8.319 8.389 -0.070 19642 8968 1 18 . 1 1 46 46 SER N N 46 121.541 121.541 114.978 6.563 19642 8969 1 18 . 1 1 46 46 SER HA H 46 4.709 4.709 4.653 0.056 19642 8970 1 18 . 1 1 46 46 SER C C 46 174.061 174.061 174.040 0.021 19642 8971 1 18 . 1 1 46 46 SER CA C 46 57.381 57.381 58.180 -0.799 19642 8972 1 18 . 1 1 46 46 SER CB C 46 64.273 64.273 64.614 -0.341 19642 8973 1 18 . 1 1 46 46 SER H H 46 8.653 8.653 8.503 0.150 19642 8974 1 18 . 1 1 47 47 ASP N N 47 123.132 123.132 120.607 2.525 19642 8975 1 18 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.302 0.356 19642 8976 1 18 . 1 1 47 47 ASP C C 47 177.203 177.203 176.490 0.713 19642 8977 1 18 . 1 1 47 47 ASP CA C 47 53.662 53.662 57.185 -3.523 19642 8978 1 18 . 1 1 47 47 ASP CB C 47 41.920 41.920 40.046 1.874 19642 8979 1 18 . 1 1 47 47 ASP H H 47 8.598 8.598 8.548 0.050 19642 8980 1 18 . 1 1 48 48 ARG N N 48 122.881 122.881 118.364 4.517 19642 8981 1 18 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.321 -0.114 19642 8982 1 18 . 1 1 48 48 ARG C C 48 177.090 177.090 177.591 -0.501 19642 8983 1 18 . 1 1 48 48 ARG CA C 48 57.206 57.206 56.315 0.892 19642 8984 1 18 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.916 -2.141 19642 8985 1 18 . 1 1 48 48 ARG H H 48 8.648 8.648 7.987 0.661 19642 8986 1 18 . 1 1 49 49 ASN N N 49 117.245 117.245 118.776 -1.531 19642 8987 1 18 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.549 0.197 19642 8988 1 18 . 1 1 49 49 ASN C C 49 175.822 175.822 176.481 -0.659 19642 8989 1 18 . 1 1 49 49 ASN CA C 49 53.592 53.592 55.707 -2.115 19642 8990 1 18 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.547 0.362 19642 8991 1 18 . 1 1 49 49 ASN H H 49 8.502 8.502 8.517 -0.015 19642 8992 1 18 . 1 1 50 50 SER N N 50 114.891 114.891 111.207 3.684 19642 8993 1 18 . 1 1 50 50 SER HA H 50 4.429 4.429 4.175 0.254 19642 8994 1 18 . 1 1 50 50 SER C C 50 175.339 175.339 174.036 1.303 19642 8995 1 18 . 1 1 50 50 SER CA C 50 58.396 58.396 59.852 -1.456 19642 8996 1 18 . 1 1 50 50 SER CB C 50 63.681 63.681 62.904 0.777 19642 8997 1 18 . 1 1 50 50 SER H H 50 8.158 8.158 8.344 -0.186 19642 8998 1 18 . 1 1 51 51 ARG N N 51 120.957 120.957 119.084 1.873 19642 8999 1 18 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.422 -0.133 19642 9000 1 18 . 1 1 51 51 ARG C C 51 176.845 176.845 175.938 0.907 19642 9001 1 18 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.642 0.030 19642 9002 1 18 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.628 -1.008 19642 9003 1 18 . 1 1 51 51 ARG H H 51 8.451 8.451 7.894 0.557 19642 9004 1 18 . 1 1 52 52 ARG N N 52 119.405 119.405 117.848 1.557 19642 9005 1 18 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.358 0.062 19642 9006 1 18 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.509 -0.744 19642 9007 1 18 . 1 1 52 52 ARG CB C 52 30.875 30.875 31.131 -0.256 19642 9008 1 18 . 1 1 52 52 ARG H H 52 8.159 8.159 8.260 -0.101 19642 9009 1 18 . 1 1 53 53 SER N N 53 116.328 116.328 114.337 1.991 19642 9010 1 18 . 1 1 53 53 SER HA H 53 4.492 4.492 4.110 0.382 19642 9011 1 18 . 1 1 53 53 SER CA C 53 58.142 58.142 59.906 -1.764 19642 9012 1 18 . 1 1 53 53 SER CB C 53 63.447 63.447 62.385 1.062 19642 9013 1 18 . 1 1 53 53 SER H H 53 8.370 8.370 8.731 -0.361 19642 9014 1 18 . 1 1 54 54 LYS N N 54 122.099 122.099 117.162 4.937 19642 9015 1 18 . 1 1 54 54 LYS HA H 54 4.499 4.499 3.949 0.550 19642 9016 1 18 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.194 -1.631 19642 9017 1 18 . 1 1 54 54 LYS CB C 54 33.079 33.079 29.911 3.168 19642 9018 1 18 . 1 1 54 54 LYS H H 54 8.374 8.374 7.953 0.421 19642 9019 1 18 . 1 1 55 55 GLY N N 55 109.513 109.513 107.839 1.674 19642 9020 1 18 . 1 1 55 55 GLY C C 55 172.962 172.962 173.257 -0.295 19642 9021 1 18 . 1 1 55 55 GLY CA C 55 45.894 45.894 45.795 0.099 19642 9022 1 18 . 1 1 55 55 GLY H H 55 8.592 8.592 7.976 0.616 19642 9023 1 18 . 1 1 56 56 ILE N N 56 114.180 114.180 117.104 -2.924 19642 9024 1 18 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.399 -0.387 19642 9025 1 18 . 1 1 56 56 ILE C C 56 175.172 175.172 173.637 1.535 19642 9026 1 18 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.990 -0.259 19642 9027 1 18 . 1 1 56 56 ILE CB C 56 42.162 42.162 40.826 1.336 19642 9028 1 18 . 1 1 56 56 ILE H H 56 7.618 7.618 7.962 -0.344 19642 9029 1 18 . 1 1 57 57 ALA N N 57 121.556 121.556 128.043 -6.487 19642 9030 1 18 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.387 -0.267 19642 9031 1 18 . 1 1 57 57 ALA C C 57 175.094 175.094 175.472 -0.378 19642 9032 1 18 . 1 1 57 57 ALA CA C 57 50.699 50.699 50.883 -0.184 19642 9033 1 18 . 1 1 57 57 ALA CB C 57 24.170 24.170 23.192 0.979 19642 9034 1 18 . 1 1 57 57 ALA H H 57 8.308 8.308 8.836 -0.528 19642 9035 1 18 . 1 1 58 58 TYR N N 58 118.387 118.387 120.902 -2.515 19642 9036 1 18 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.578 -0.097 19642 9037 1 18 . 1 1 58 58 TYR C C 58 175.537 175.537 175.454 0.083 19642 9038 1 18 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.582 -0.068 19642 9039 1 18 . 1 1 58 58 TYR CB C 58 40.607 40.607 41.820 -1.213 19642 9040 1 18 . 1 1 58 58 TYR H H 58 8.971 8.971 8.989 -0.018 19642 9041 1 18 . 1 1 59 59 VAL N N 59 122.978 122.978 120.524 2.454 19642 9042 1 18 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.646 -0.270 19642 9043 1 18 . 1 1 59 59 VAL C C 59 172.631 172.631 175.072 -2.441 19642 9044 1 18 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.338 -0.121 19642 9045 1 18 . 1 1 59 59 VAL CB C 59 33.575 33.575 34.538 -0.963 19642 9046 1 18 . 1 1 59 59 VAL H H 59 8.828 8.828 9.048 -0.220 19642 9047 1 18 . 1 1 60 60 GLU N N 60 128.557 128.557 127.692 0.865 19642 9048 1 18 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.546 0.305 19642 9049 1 18 . 1 1 60 60 GLU C C 60 176.210 176.210 175.753 0.457 19642 9050 1 18 . 1 1 60 60 GLU CA C 60 53.842 53.842 56.090 -2.248 19642 9051 1 18 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.120 2.983 19642 9052 1 18 . 1 1 60 60 GLU H H 60 8.774 8.774 8.853 -0.079 19642 9053 1 18 . 1 1 61 61 PHE N N 61 126.659 126.659 124.600 2.059 19642 9054 1 18 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.419 0.497 19642 9055 1 18 . 1 1 61 61 PHE C C 61 176.011 176.011 175.922 0.089 19642 9056 1 18 . 1 1 61 61 PHE CA C 61 58.586 58.586 59.284 -0.698 19642 9057 1 18 . 1 1 61 61 PHE CB C 61 41.038 41.038 40.842 0.196 19642 9058 1 18 . 1 1 61 61 PHE H H 61 9.340 9.340 8.193 1.147 19642 9059 1 18 . 1 1 62 62 VAL N N 62 118.280 118.280 120.360 -2.080 19642 9060 1 18 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.860 -0.117 19642 9061 1 18 . 1 1 62 62 VAL C C 62 176.097 176.097 175.377 0.720 19642 9062 1 18 . 1 1 62 62 VAL CA C 62 65.785 65.785 64.074 1.711 19642 9063 1 18 . 1 1 62 62 VAL CB C 62 32.811 32.811 31.917 0.894 19642 9064 1 18 . 1 1 62 62 VAL H H 62 8.184 8.184 7.676 0.508 19642 9065 1 18 . 1 1 63 63 ASP N N 63 118.269 118.269 115.636 2.633 19642 9066 1 18 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.790 0.402 19642 9067 1 18 . 1 1 63 63 ASP C C 63 176.648 176.648 176.265 0.383 19642 9068 1 18 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.775 -0.136 19642 9069 1 18 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.825 0.744 19642 9070 1 18 . 1 1 63 63 ASP H H 63 8.708 8.708 7.740 0.968 19642 9071 1 18 . 1 1 64 64 VAL N N 64 121.961 121.961 121.769 0.192 19642 9072 1 18 . 1 1 64 64 VAL HA H 64 3.811 3.811 4.081 -0.270 19642 9073 1 18 . 1 1 64 64 VAL C C 64 178.439 178.439 177.081 1.358 19642 9074 1 18 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.292 0.527 19642 9075 1 18 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.169 -0.118 19642 9076 1 18 . 1 1 64 64 VAL H H 64 8.609 8.609 8.577 0.032 19642 9077 1 18 . 1 1 65 65 SER N N 65 115.305 115.305 116.642 -1.337 19642 9078 1 18 . 1 1 65 65 SER HA H 65 4.143 4.143 4.216 -0.073 19642 9079 1 18 . 1 1 65 65 SER C C 65 176.285 176.285 175.571 0.714 19642 9080 1 18 . 1 1 65 65 SER CA C 65 60.158 60.158 60.861 -0.703 19642 9081 1 18 . 1 1 65 65 SER CB C 65 62.066 62.066 63.031 -0.965 19642 9082 1 18 . 1 1 65 65 SER H H 65 8.492 8.492 8.811 -0.319 19642 9083 1 18 . 1 1 66 66 SER N N 66 116.053 116.053 116.144 -0.091 19642 9084 1 18 . 1 1 66 66 SER HA H 66 4.024 4.024 4.207 -0.183 19642 9085 1 18 . 1 1 66 66 SER C C 66 174.528 174.528 175.134 -0.606 19642 9086 1 18 . 1 1 66 66 SER CA C 66 60.749 60.749 59.130 1.619 19642 9087 1 18 . 1 1 66 66 SER CB C 66 63.063 63.063 62.665 0.398 19642 9088 1 18 . 1 1 66 66 SER H H 66 7.414 7.414 7.613 -0.199 19642 9089 1 18 . 1 1 67 67 VAL N N 67 119.830 119.830 122.991 -3.161 19642 9090 1 18 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.605 -0.285 19642 9091 1 18 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.278 0.760 19642 9092 1 18 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.375 -0.177 19642 9093 1 18 . 1 1 67 67 VAL H H 67 7.611 7.611 7.750 -0.139 19642 9094 1 18 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.203 0.062 19642 9095 1 18 . 1 1 68 68 PRO C C 68 180.457 180.457 178.193 2.264 19642 9096 1 18 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.464 -0.392 19642 9097 1 18 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.392 -0.654 19642 9098 1 18 . 1 1 69 69 LEU N N 69 115.334 115.334 120.622 -5.288 19642 9099 1 18 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.967 0.132 19642 9100 1 18 . 1 1 69 69 LEU C C 69 179.450 179.450 178.112 1.338 19642 9101 1 18 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.479 -1.037 19642 9102 1 18 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.340 -0.218 19642 9103 1 18 . 1 1 69 69 LEU H H 69 6.284 6.284 7.353 -1.069 19642 9104 1 18 . 1 1 70 70 ALA N N 70 122.703 122.703 120.648 2.055 19642 9105 1 18 . 1 1 70 70 ALA HA H 70 4.175 4.175 3.924 0.251 19642 9106 1 18 . 1 1 70 70 ALA C C 70 180.611 180.611 180.438 0.173 19642 9107 1 18 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.602 0.293 19642 9108 1 18 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.810 1.734 19642 9109 1 18 . 1 1 70 70 ALA H H 70 8.342 8.342 7.292 1.050 19642 9110 1 18 . 1 1 71 71 ILE N N 71 118.692 118.692 119.280 -0.588 19642 9111 1 18 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.641 0.624 19642 9112 1 18 . 1 1 71 71 ILE C C 71 179.971 179.971 178.227 1.744 19642 9113 1 18 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.746 0.371 19642 9114 1 18 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.566 1.034 19642 9115 1 18 . 1 1 71 71 ILE H H 71 8.255 8.255 7.380 0.875 19642 9116 1 18 . 1 1 72 72 GLY N N 72 106.417 106.417 106.674 -0.257 19642 9117 1 18 . 1 1 72 72 GLY C C 72 174.590 174.590 175.382 -0.792 19642 9118 1 18 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.892 -1.000 19642 9119 1 18 . 1 1 72 72 GLY H H 72 7.635 7.635 7.785 -0.150 19642 9120 1 18 . 1 1 73 73 LEU N N 73 120.383 120.383 120.099 0.284 19642 9121 1 18 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.487 -0.076 19642 9122 1 18 . 1 1 73 73 LEU C C 73 176.338 176.338 178.112 -1.774 19642 9123 1 18 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.246 0.703 19642 9124 1 18 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.263 -0.670 19642 9125 1 18 . 1 1 73 73 LEU H H 73 7.767 7.767 7.420 0.347 19642 9126 1 18 . 1 1 74 74 THR N N 74 115.157 115.157 116.992 -1.835 19642 9127 1 18 . 1 1 74 74 THR HA H 74 4.060 4.060 4.042 0.018 19642 9128 1 18 . 1 1 74 74 THR C C 74 175.656 175.656 175.762 -0.106 19642 9129 1 18 . 1 1 74 74 THR CA C 74 66.177 66.177 67.268 -1.091 19642 9130 1 18 . 1 1 74 74 THR CB C 74 69.821 69.821 68.824 0.997 19642 9131 1 18 . 1 1 74 74 THR H H 74 7.731 7.731 7.824 -0.093 19642 9132 1 18 . 1 1 75 75 GLY N N 75 117.587 117.587 106.579 11.008 19642 9133 1 18 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.168 0.457 19642 9134 1 18 . 1 1 75 75 GLY H H 75 9.519 9.519 8.273 1.246 19642 9135 1 18 . 1 1 76 76 GLN N N 76 120.027 120.027 120.141 -0.114 19642 9136 1 18 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.478 -0.164 19642 9137 1 18 . 1 1 76 76 GLN C C 76 175.015 175.015 174.549 0.466 19642 9138 1 18 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.468 0.351 19642 9139 1 18 . 1 1 76 76 GLN CB C 76 28.220 28.220 30.390 -2.170 19642 9140 1 18 . 1 1 76 76 GLN H H 76 8.319 8.319 7.955 0.364 19642 9141 1 18 . 1 1 77 77 ARG N N 77 118.759 118.759 116.512 2.247 19642 9142 1 18 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.573 -0.442 19642 9143 1 18 . 1 1 77 77 ARG C C 77 176.209 176.209 174.592 1.617 19642 9144 1 18 . 1 1 77 77 ARG CA C 77 56.091 56.091 54.778 1.313 19642 9145 1 18 . 1 1 77 77 ARG CB C 77 31.364 31.364 32.432 -1.068 19642 9146 1 18 . 1 1 77 77 ARG H H 77 8.544 8.544 8.342 0.202 19642 9147 1 18 . 1 1 78 78 VAL N N 78 123.886 123.886 122.906 0.980 19642 9148 1 18 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.949 -0.114 19642 9149 1 18 . 1 1 78 78 VAL C C 78 176.570 176.570 175.357 1.213 19642 9150 1 18 . 1 1 78 78 VAL CA C 78 61.470 61.470 60.814 0.656 19642 9151 1 18 . 1 1 78 78 VAL CB C 78 32.202 32.202 32.370 -0.168 19642 9152 1 18 . 1 1 78 78 VAL H H 78 8.015 8.015 7.612 0.403 19642 9153 1 18 . 1 1 79 79 LEU N N 79 129.331 129.331 128.441 0.890 19642 9154 1 18 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.843 -0.011 19642 9155 1 18 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.658 0.115 19642 9156 1 18 . 1 1 79 79 LEU CB C 79 39.541 39.541 40.536 -0.995 19642 9157 1 18 . 1 1 79 79 LEU H H 79 9.570 9.570 8.921 0.649 19642 9158 1 18 . 1 1 80 80 GLY N N 80 100.301 100.301 102.175 -1.874 19642 9159 1 18 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.590 0.639 19642 9160 1 18 . 1 1 80 80 GLY H H 80 8.316 8.316 7.727 0.589 19642 9161 1 18 . 1 1 81 81 VAL N N 81 122.763 122.763 123.098 -0.335 19642 9162 1 18 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.658 -0.021 19642 9163 1 18 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.539 0.816 19642 9164 1 18 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.381 3.516 19642 9165 1 18 . 1 1 81 81 VAL H H 81 7.632 7.632 8.114 -0.482 19642 9166 1 18 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.687 -0.355 19642 9167 1 18 . 1 1 82 82 PRO C C 82 175.005 175.005 175.740 -0.735 19642 9168 1 18 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.127 0.376 19642 9169 1 18 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.795 -1.515 19642 9170 1 18 . 1 1 83 83 ILE N N 83 126.022 126.022 117.480 8.542 19642 9171 1 18 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.439 0.187 19642 9172 1 18 . 1 1 83 83 ILE C C 83 175.679 175.679 174.340 1.339 19642 9173 1 18 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.525 2.444 19642 9174 1 18 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.480 -0.567 19642 9175 1 18 . 1 1 83 83 ILE H H 83 8.391 8.391 7.608 0.783 19642 9176 1 18 . 1 1 84 84 ILE N N 84 125.284 125.284 119.732 5.552 19642 9177 1 18 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.490 -0.057 19642 9178 1 18 . 1 1 84 84 ILE C C 84 174.418 174.418 177.203 -2.785 19642 9179 1 18 . 1 1 84 84 ILE CA C 84 61.313 61.313 58.247 3.066 19642 9180 1 18 . 1 1 84 84 ILE CB C 84 39.900 39.900 40.383 -0.483 19642 9181 1 18 . 1 1 84 84 ILE H H 84 7.842 7.842 8.315 -0.473 19642 9182 1 18 . 1 1 85 85 VAL N N 85 128.143 128.143 122.975 5.168 19642 9183 1 18 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.782 -0.165 19642 9184 1 18 . 1 1 85 85 VAL CA C 85 64.887 64.887 63.772 1.115 19642 9185 1 18 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.938 2.131 19642 9186 1 18 . 1 1 85 85 VAL H H 85 8.400 8.400 8.208 0.192 19642 9187 1 18 . 1 1 86 86 GLN N N 86 122.965 122.965 118.893 4.072 19642 9188 1 18 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.124 0.779 19642 9189 1 18 . 1 1 86 86 GLN C C 86 175.590 175.590 176.465 -0.875 19642 9190 1 18 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.220 3.536 19642 9191 1 18 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.858 5.155 19642 9192 1 18 . 1 1 86 86 GLN H H 86 9.242 9.242 7.903 1.339 19642 9193 1 18 . 1 1 87 87 ALA N N 87 123.174 123.174 119.895 3.279 19642 9194 1 18 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.017 0.339 19642 9195 1 18 . 1 1 87 87 ALA C C 87 178.095 178.095 175.896 2.199 19642 9196 1 18 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.897 -0.072 19642 9197 1 18 . 1 1 87 87 ALA CB C 87 18.534 18.534 17.981 0.553 19642 9198 1 18 . 1 1 87 87 ALA H H 87 8.907 8.907 8.073 0.834 19642 9199 1 18 . 1 1 88 88 SER N N 88 114.952 114.952 117.934 -2.982 19642 9200 1 18 . 1 1 88 88 SER HA H 88 4.294 4.294 4.791 -0.497 19642 9201 1 18 . 1 1 88 88 SER C C 88 175.470 175.470 174.502 0.968 19642 9202 1 18 . 1 1 88 88 SER CA C 88 59.617 59.617 58.166 1.450 19642 9203 1 18 . 1 1 88 88 SER CB C 88 63.409 63.409 63.373 0.036 19642 9204 1 18 . 1 1 88 88 SER H H 88 8.343 8.343 8.555 -0.212 19642 9205 1 18 . 1 1 89 89 GLN N N 89 121.151 121.151 125.240 -4.089 19642 9206 1 18 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.078 0.235 19642 9207 1 18 . 1 1 89 89 GLN C C 89 175.838 175.838 173.874 1.964 19642 9208 1 18 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.644 -1.358 19642 9209 1 18 . 1 1 89 89 GLN CB C 89 29.333 29.333 28.087 1.246 19642 9210 1 18 . 1 1 89 89 GLN H H 89 8.348 8.348 8.602 -0.254 19642 9211 1 18 . 1 1 90 90 ALA N N 90 124.942 124.942 121.648 3.294 19642 9212 1 18 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.603 -0.400 19642 9213 1 18 . 1 1 90 90 ALA C C 90 178.381 178.381 176.467 1.914 19642 9214 1 18 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.805 0.957 19642 9215 1 18 . 1 1 90 90 ALA CB C 90 19.071 19.071 21.528 -2.457 19642 9216 1 18 . 1 1 90 90 ALA H H 90 8.245 8.245 8.237 0.008 19642 9217 1 18 . 1 1 91 91 GLU N N 91 119.604 119.604 118.664 0.940 19642 9218 1 18 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.183 -0.030 19642 9219 1 18 . 1 1 91 91 GLU C C 91 176.986 176.986 176.057 0.929 19642 9220 1 18 . 1 1 91 91 GLU CA C 91 56.535 56.535 57.265 -0.730 19642 9221 1 18 . 1 1 91 91 GLU CB C 91 30.029 30.029 29.717 0.312 19642 9222 1 18 . 1 1 91 91 GLU H H 91 8.414 8.414 8.739 -0.325 19642 9223 1 18 . 1 1 92 92 LYS N N 92 121.284 121.284 119.876 1.408 19642 9224 1 18 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.256 0.034 19642 9225 1 18 . 1 1 92 92 LYS C C 92 176.699 176.699 176.133 0.566 19642 9226 1 18 . 1 1 92 92 LYS CA C 92 56.042 56.042 56.006 0.036 19642 9227 1 18 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.023 -0.318 19642 9228 1 18 . 1 1 92 92 LYS H H 92 8.212 8.212 7.722 0.490 19642 9229 1 18 . 1 1 93 93 ASN N N 93 119.221 119.221 119.722 -0.501 19642 9230 1 18 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.557 0.143 19642 9231 1 18 . 1 1 93 93 ASN C C 93 174.424 174.424 174.119 0.305 19642 9232 1 18 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.475 -0.365 19642 9233 1 18 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.084 0.642 19642 9234 1 18 . 1 1 93 93 ASN H H 93 8.370 8.370 8.204 0.166 19642 9235 1 19 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.470 0.223 19642 9236 1 19 . 1 1 2 2 HIS C C 2 175.244 175.244 174.448 0.796 19642 9237 1 19 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.866 -1.017 19642 9238 1 19 . 1 1 2 2 HIS CB C 2 30.165 30.165 29.010 1.155 19642 9239 1 19 . 1 1 3 3 MET HA H 3 4.464 4.464 4.445 0.019 19642 9240 1 19 . 1 1 3 3 MET C C 3 175.896 175.896 175.031 0.865 19642 9241 1 19 . 1 1 3 3 MET CA C 3 55.188 55.188 56.072 -0.884 19642 9242 1 19 . 1 1 3 3 MET CB C 3 32.736 32.736 34.754 -2.018 19642 9243 1 19 . 1 1 4 4 ASN N N 4 120.610 120.610 119.206 1.404 19642 9244 1 19 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.980 -0.228 19642 9245 1 19 . 1 1 4 4 ASN C C 4 175.033 175.033 174.292 0.741 19642 9246 1 19 . 1 1 4 4 ASN CA C 4 52.728 52.728 52.822 -0.094 19642 9247 1 19 . 1 1 4 4 ASN CB C 4 38.604 38.604 40.892 -2.288 19642 9248 1 19 . 1 1 4 4 ASN H H 4 8.564 8.564 8.108 0.456 19642 9249 1 19 . 1 1 5 5 LEU N N 5 122.314 122.314 122.765 -0.451 19642 9250 1 19 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.425 0.185 19642 9251 1 19 . 1 1 5 5 LEU C C 5 178.178 178.178 177.156 1.022 19642 9252 1 19 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.953 -0.648 19642 9253 1 19 . 1 1 5 5 LEU CB C 5 43.343 43.343 42.783 0.560 19642 9254 1 19 . 1 1 5 5 LEU H H 5 8.046 8.046 8.448 -0.402 19642 9255 1 19 . 1 1 6 6 THR N N 6 115.483 115.483 120.948 -5.465 19642 9256 1 19 . 1 1 6 6 THR HA H 6 4.626 4.626 4.501 0.125 19642 9257 1 19 . 1 1 6 6 THR CA C 6 60.039 60.039 60.297 -0.258 19642 9258 1 19 . 1 1 6 6 THR CB C 6 68.119 68.119 70.297 -2.178 19642 9259 1 19 . 1 1 6 6 THR H H 6 8.948 8.948 8.740 0.208 19642 9260 1 19 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.405 -0.262 19642 9261 1 19 . 1 1 7 7 PRO CA C 7 65.573 65.573 64.373 1.200 19642 9262 1 19 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.641 -0.001 19642 9263 1 19 . 1 1 8 8 GLU N N 8 116.691 116.691 119.230 -2.539 19642 9264 1 19 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.101 0.010 19642 9265 1 19 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.042 0.529 19642 9266 1 19 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.898 -1.009 19642 9267 1 19 . 1 1 8 8 GLU H H 8 8.753 8.753 7.808 0.945 19642 9268 1 19 . 1 1 9 9 GLU N N 9 121.235 121.235 119.183 2.052 19642 9269 1 19 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.054 -0.013 19642 9270 1 19 . 1 1 9 9 GLU C C 9 180.194 180.194 178.883 1.311 19642 9271 1 19 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.496 -0.969 19642 9272 1 19 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.343 1.223 19642 9273 1 19 . 1 1 9 9 GLU H H 9 7.823 7.823 8.491 -0.668 19642 9274 1 19 . 1 1 10 10 ARG N N 10 120.373 120.373 116.971 3.402 19642 9275 1 19 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.113 -0.226 19642 9276 1 19 . 1 1 10 10 ARG C C 10 180.714 180.714 178.415 2.299 19642 9277 1 19 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.744 1.041 19642 9278 1 19 . 1 1 10 10 ARG CB C 10 29.871 29.871 29.996 -0.125 19642 9279 1 19 . 1 1 10 10 ARG H H 10 8.363 8.363 7.604 0.759 19642 9280 1 19 . 1 1 11 11 ASP N N 11 123.103 123.103 121.123 1.980 19642 9281 1 19 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.491 -0.177 19642 9282 1 19 . 1 1 11 11 ASP C C 11 179.081 179.081 176.557 2.524 19642 9283 1 19 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.635 1.048 19642 9284 1 19 . 1 1 11 11 ASP CB C 11 40.022 40.022 40.843 -0.821 19642 9285 1 19 . 1 1 11 11 ASP H H 11 8.709 8.709 7.718 0.991 19642 9286 1 19 . 1 1 12 12 ALA N N 12 119.926 119.926 119.338 0.588 19642 9287 1 19 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.696 -0.453 19642 9288 1 19 . 1 1 12 12 ALA C C 12 177.593 177.593 177.405 0.188 19642 9289 1 19 . 1 1 12 12 ALA CA C 12 53.808 53.808 51.203 2.605 19642 9290 1 19 . 1 1 12 12 ALA CB C 12 18.341 18.341 18.202 0.139 19642 9291 1 19 . 1 1 12 12 ALA H H 12 7.615 7.615 7.324 0.291 19642 9292 1 19 . 1 1 13 13 ARG N N 13 113.504 113.504 118.343 -4.839 19642 9293 1 19 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.091 0.336 19642 9294 1 19 . 1 1 13 13 ARG C C 13 174.905 174.905 175.737 -0.832 19642 9295 1 19 . 1 1 13 13 ARG CA C 13 55.588 55.588 58.159 -2.571 19642 9296 1 19 . 1 1 13 13 ARG CB C 13 30.789 30.789 30.653 0.136 19642 9297 1 19 . 1 1 13 13 ARG H H 13 7.204 7.204 7.510 -0.306 19642 9298 1 19 . 1 1 14 14 THR N N 14 117.103 117.103 113.200 3.903 19642 9299 1 19 . 1 1 14 14 THR HA H 14 5.589 5.589 4.845 0.744 19642 9300 1 19 . 1 1 14 14 THR C C 14 174.610 174.610 174.155 0.455 19642 9301 1 19 . 1 1 14 14 THR CA C 14 61.993 61.993 62.306 -0.313 19642 9302 1 19 . 1 1 14 14 THR CB C 14 70.185 70.185 70.576 -0.391 19642 9303 1 19 . 1 1 14 14 THR H H 14 7.685 7.685 7.692 -0.007 19642 9304 1 19 . 1 1 15 15 VAL N N 15 117.127 117.127 120.944 -3.817 19642 9305 1 19 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.610 0.470 19642 9306 1 19 . 1 1 15 15 VAL C C 15 173.786 173.786 174.492 -0.706 19642 9307 1 19 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.774 -2.189 19642 9308 1 19 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.286 0.537 19642 9309 1 19 . 1 1 15 15 VAL H H 15 9.154 9.154 8.709 0.445 19642 9310 1 19 . 1 1 16 16 PHE N N 16 122.697 122.697 128.462 -5.765 19642 9311 1 19 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.967 0.216 19642 9312 1 19 . 1 1 16 16 PHE C C 16 174.520 174.520 175.709 -1.189 19642 9313 1 19 . 1 1 16 16 PHE CA C 16 54.981 54.981 55.307 -0.326 19642 9314 1 19 . 1 1 16 16 PHE CB C 16 42.266 42.266 39.652 2.614 19642 9315 1 19 . 1 1 16 16 PHE H H 16 9.359 9.359 8.824 0.535 19642 9316 1 19 . 1 1 17 17 CYS N N 17 122.356 122.356 129.729 -7.373 19642 9317 1 19 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.525 1.042 19642 9318 1 19 . 1 1 17 17 CYS C C 17 173.018 173.018 173.596 -0.578 19642 9319 1 19 . 1 1 17 17 CYS CA C 17 55.708 55.708 57.741 -2.033 19642 9320 1 19 . 1 1 17 17 CYS CB C 17 30.776 30.776 27.700 3.076 19642 9321 1 19 . 1 1 17 17 CYS H H 17 8.931 8.931 9.185 -0.254 19642 9322 1 19 . 1 1 18 18 MET N N 18 117.884 117.884 122.355 -4.471 19642 9323 1 19 . 1 1 18 18 MET HA H 18 4.846 4.846 4.188 0.658 19642 9324 1 19 . 1 1 18 18 MET C C 18 173.706 173.706 175.267 -1.561 19642 9325 1 19 . 1 1 18 18 MET CA C 18 53.623 53.623 55.704 -2.081 19642 9326 1 19 . 1 1 18 18 MET CB C 18 31.772 31.772 31.979 -0.207 19642 9327 1 19 . 1 1 18 18 MET H H 18 8.818 8.818 8.189 0.629 19642 9328 1 19 . 1 1 19 19 GLN N N 19 115.022 115.022 118.029 -3.007 19642 9329 1 19 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.365 -0.667 19642 9330 1 19 . 1 1 19 19 GLN C C 19 173.403 173.403 174.123 -0.720 19642 9331 1 19 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.378 2.631 19642 9332 1 19 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.469 -1.547 19642 9333 1 19 . 1 1 19 19 GLN H H 19 8.463 8.463 8.015 0.448 19642 9334 1 19 . 1 1 20 20 LEU N N 20 116.032 116.032 120.328 -4.296 19642 9335 1 19 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.208 0.046 19642 9336 1 19 . 1 1 20 20 LEU C C 20 177.827 177.827 176.926 0.901 19642 9337 1 19 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.818 -2.223 19642 9338 1 19 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.596 0.662 19642 9339 1 19 . 1 1 20 20 LEU H H 20 7.685 7.685 7.278 0.407 19642 9340 1 19 . 1 1 21 21 ALA N N 21 125.644 125.644 123.317 2.327 19642 9341 1 19 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.317 -0.172 19642 9342 1 19 . 1 1 21 21 ALA C C 21 178.868 178.868 178.521 0.347 19642 9343 1 19 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.945 -0.284 19642 9344 1 19 . 1 1 21 21 ALA CB C 21 19.354 19.354 19.943 -0.589 19642 9345 1 19 . 1 1 21 21 ALA H H 21 9.473 9.473 8.306 1.167 19642 9346 1 19 . 1 1 22 22 ALA N N 22 124.495 124.495 123.282 1.213 19642 9347 1 19 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.122 -0.013 19642 9348 1 19 . 1 1 22 22 ALA C C 22 179.705 179.705 178.043 1.662 19642 9349 1 19 . 1 1 22 22 ALA CA C 22 54.560 54.560 54.098 0.462 19642 9350 1 19 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.437 -0.079 19642 9351 1 19 . 1 1 22 22 ALA H H 22 8.583 8.583 8.564 0.019 19642 9352 1 19 . 1 1 23 23 ARG N N 23 111.716 111.716 119.006 -7.290 19642 9353 1 19 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.497 -0.129 19642 9354 1 19 . 1 1 23 23 ARG C C 23 176.243 176.243 175.512 0.731 19642 9355 1 19 . 1 1 23 23 ARG CA C 23 55.136 55.136 54.782 0.354 19642 9356 1 19 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.011 -0.850 19642 9357 1 19 . 1 1 23 23 ARG H H 23 7.905 7.905 7.804 0.101 19642 9358 1 19 . 1 1 24 24 ILE N N 24 121.734 121.734 121.701 0.033 19642 9359 1 19 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.083 -0.191 19642 9360 1 19 . 1 1 24 24 ILE C C 24 173.297 173.297 176.412 -3.115 19642 9361 1 19 . 1 1 24 24 ILE CA C 24 61.336 61.336 62.160 -0.825 19642 9362 1 19 . 1 1 24 24 ILE CB C 24 38.751 38.751 38.893 -0.142 19642 9363 1 19 . 1 1 24 24 ILE H H 24 7.270 7.270 7.526 -0.256 19642 9364 1 19 . 1 1 25 25 ARG N N 25 125.810 125.810 128.358 -2.548 19642 9365 1 19 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.699 0.256 19642 9366 1 19 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.388 -0.971 19642 9367 1 19 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.309 0.655 19642 9368 1 19 . 1 1 25 25 ARG H H 25 8.994 8.994 8.765 0.229 19642 9369 1 19 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.227 -0.167 19642 9370 1 19 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.603 1.069 19642 9371 1 19 . 1 1 26 26 PRO CB C 26 31.460 31.460 31.932 -0.472 19642 9372 1 19 . 1 1 27 27 ARG N N 27 114.118 114.118 118.175 -4.057 19642 9373 1 19 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.280 -0.040 19642 9374 1 19 . 1 1 27 27 ARG C C 27 178.376 178.376 177.321 1.055 19642 9375 1 19 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.852 -0.737 19642 9376 1 19 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.939 -0.398 19642 9377 1 19 . 1 1 27 27 ARG H H 27 8.362 8.362 8.343 0.019 19642 9378 1 19 . 1 1 28 28 ASP N N 28 116.954 116.954 120.113 -3.159 19642 9379 1 19 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.392 0.069 19642 9380 1 19 . 1 1 28 28 ASP C C 28 180.328 180.328 178.434 1.894 19642 9381 1 19 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.261 0.266 19642 9382 1 19 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.235 1.329 19642 9383 1 19 . 1 1 28 28 ASP H H 28 7.688 7.688 7.806 -0.118 19642 9384 1 19 . 1 1 29 29 LEU N N 29 117.931 117.931 117.723 0.208 19642 9385 1 19 . 1 1 29 29 LEU HA H 29 4.317 4.317 3.978 0.339 19642 9386 1 19 . 1 1 29 29 LEU C C 29 178.541 178.541 178.583 -0.042 19642 9387 1 19 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.276 -0.427 19642 9388 1 19 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.089 0.683 19642 9389 1 19 . 1 1 29 29 LEU H H 29 7.173 7.173 7.472 -0.299 19642 9390 1 19 . 1 1 30 30 GLU N N 30 121.321 121.321 118.389 2.932 19642 9391 1 19 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.010 -0.222 19642 9392 1 19 . 1 1 30 30 GLU C C 30 179.497 179.497 178.658 0.839 19642 9393 1 19 . 1 1 30 30 GLU CA C 30 60.299 60.299 58.861 1.438 19642 9394 1 19 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.072 0.600 19642 9395 1 19 . 1 1 30 30 GLU H H 30 8.632 8.632 7.570 1.062 19642 9396 1 19 . 1 1 31 31 GLU N N 31 118.162 118.162 119.964 -1.802 19642 9397 1 19 . 1 1 31 31 GLU HA H 31 4.067 4.067 3.983 0.084 19642 9398 1 19 . 1 1 31 31 GLU C C 31 179.635 179.635 178.460 1.175 19642 9399 1 19 . 1 1 31 31 GLU CA C 31 59.357 59.357 59.394 -0.037 19642 9400 1 19 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.450 0.046 19642 9401 1 19 . 1 1 31 31 GLU H H 31 8.405 8.405 8.164 0.241 19642 9402 1 19 . 1 1 32 32 PHE N N 32 120.127 120.127 118.747 1.380 19642 9403 1 19 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.120 0.233 19642 9404 1 19 . 1 1 32 32 PHE C C 32 177.183 177.183 177.595 -0.412 19642 9405 1 19 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.212 0.729 19642 9406 1 19 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.769 1.153 19642 9407 1 19 . 1 1 32 32 PHE H H 32 7.767 7.767 7.729 0.038 19642 9408 1 19 . 1 1 33 33 PHE N N 33 112.879 112.879 116.712 -3.833 19642 9409 1 19 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.396 -0.145 19642 9410 1 19 . 1 1 33 33 PHE C C 33 177.304 177.304 177.762 -0.458 19642 9411 1 19 . 1 1 33 33 PHE CA C 33 61.179 61.179 57.159 4.020 19642 9412 1 19 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.019 0.561 19642 9413 1 19 . 1 1 33 33 PHE H H 33 8.489 8.489 7.371 1.118 19642 9414 1 19 . 1 1 34 34 SER N N 34 115.870 115.870 115.449 0.421 19642 9415 1 19 . 1 1 34 34 SER HA H 34 5.119 5.119 4.558 0.561 19642 9416 1 19 . 1 1 34 34 SER C C 34 175.464 175.464 176.191 -0.727 19642 9417 1 19 . 1 1 34 34 SER CA C 34 61.268 61.268 60.170 1.098 19642 9418 1 19 . 1 1 34 34 SER CB C 34 62.915 62.915 62.633 0.282 19642 9419 1 19 . 1 1 34 34 SER H H 34 7.997 7.997 7.857 0.140 19642 9420 1 19 . 1 1 35 35 THR N N 35 110.934 110.934 115.462 -4.528 19642 9421 1 19 . 1 1 35 35 THR HA H 35 4.147 4.147 4.209 -0.062 19642 9422 1 19 . 1 1 35 35 THR C C 35 176.410 176.410 175.486 0.924 19642 9423 1 19 . 1 1 35 35 THR CA C 35 63.756 63.756 64.706 -0.950 19642 9424 1 19 . 1 1 35 35 THR CB C 35 68.802 68.802 69.248 -0.446 19642 9425 1 19 . 1 1 35 35 THR H H 35 7.188 7.188 8.024 -0.837 19642 9426 1 19 . 1 1 36 36 VAL N N 36 111.644 111.644 113.897 -2.253 19642 9427 1 19 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.564 0.059 19642 9428 1 19 . 1 1 36 36 VAL C C 36 176.046 176.046 175.052 0.994 19642 9429 1 19 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.446 -0.974 19642 9430 1 19 . 1 1 36 36 VAL CB C 36 32.425 32.425 33.450 -1.025 19642 9431 1 19 . 1 1 36 36 VAL H H 36 7.665 7.665 7.788 -0.123 19642 9432 1 19 . 1 1 37 37 GLY N N 37 109.343 109.343 110.443 -1.100 19642 9433 1 19 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.636 -0.367 19642 9434 1 19 . 1 1 37 37 GLY H H 37 7.640 7.640 7.657 -0.017 19642 9435 1 19 . 1 1 38 38 LYS N N 38 117.953 117.953 120.006 -2.053 19642 9436 1 19 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.518 0.021 19642 9437 1 19 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.343 0.381 19642 9438 1 19 . 1 1 38 38 LYS CB C 38 32.875 32.875 32.219 0.656 19642 9439 1 19 . 1 1 38 38 LYS H H 38 8.246 8.246 8.479 -0.233 19642 9440 1 19 . 1 1 39 39 VAL N N 39 128.639 128.639 120.561 8.078 19642 9441 1 19 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.515 0.170 19642 9442 1 19 . 1 1 39 39 VAL CA C 39 62.816 62.816 63.018 -0.202 19642 9443 1 19 . 1 1 39 39 VAL CB C 39 32.992 32.992 32.079 0.913 19642 9444 1 19 . 1 1 39 39 VAL H H 39 9.126 9.126 7.652 1.474 19642 9445 1 19 . 1 1 40 40 ARG N N 40 129.292 129.292 128.340 0.952 19642 9446 1 19 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.175 0.104 19642 9447 1 19 . 1 1 40 40 ARG C C 40 175.643 175.643 176.360 -0.717 19642 9448 1 19 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.560 -1.226 19642 9449 1 19 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.228 0.432 19642 9450 1 19 . 1 1 40 40 ARG H H 40 9.573 9.573 8.500 1.073 19642 9451 1 19 . 1 1 41 41 ASP N N 41 116.255 116.255 113.601 2.654 19642 9452 1 19 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.782 0.058 19642 9453 1 19 . 1 1 41 41 ASP C C 41 173.674 173.674 173.565 0.109 19642 9454 1 19 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.306 0.399 19642 9455 1 19 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.153 0.750 19642 9456 1 19 . 1 1 41 41 ASP H H 41 7.762 7.762 7.729 0.033 19642 9457 1 19 . 1 1 42 42 VAL N N 42 122.442 122.442 118.229 4.213 19642 9458 1 19 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.444 0.191 19642 9459 1 19 . 1 1 42 42 VAL C C 42 174.714 174.714 175.119 -0.405 19642 9460 1 19 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.419 -0.145 19642 9461 1 19 . 1 1 42 42 VAL CB C 42 34.832 34.832 34.987 -0.155 19642 9462 1 19 . 1 1 42 42 VAL H H 42 7.939 7.939 8.361 -0.422 19642 9463 1 19 . 1 1 43 43 ARG N N 43 126.687 126.687 126.393 0.294 19642 9464 1 19 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.758 0.007 19642 9465 1 19 . 1 1 43 43 ARG C C 43 175.278 175.278 174.685 0.593 19642 9466 1 19 . 1 1 43 43 ARG CA C 43 54.378 54.378 54.715 -0.337 19642 9467 1 19 . 1 1 43 43 ARG CB C 43 32.434 32.434 31.221 1.213 19642 9468 1 19 . 1 1 43 43 ARG H H 43 9.171 9.171 9.214 -0.043 19642 9469 1 19 . 1 1 44 44 MET N N 44 123.092 123.092 124.905 -1.813 19642 9470 1 19 . 1 1 44 44 MET HA H 44 4.906 4.906 4.712 0.194 19642 9471 1 19 . 1 1 44 44 MET C C 44 176.360 176.360 175.827 0.533 19642 9472 1 19 . 1 1 44 44 MET CA C 44 53.152 53.152 54.747 -1.595 19642 9473 1 19 . 1 1 44 44 MET CB C 44 32.940 32.940 34.546 -1.606 19642 9474 1 19 . 1 1 44 44 MET H H 44 8.939 8.939 8.898 0.041 19642 9475 1 19 . 1 1 45 45 ILE N N 45 124.146 124.146 128.761 -4.615 19642 9476 1 19 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.224 0.236 19642 9477 1 19 . 1 1 45 45 ILE C C 45 175.961 175.961 176.169 -0.208 19642 9478 1 19 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.812 -0.865 19642 9479 1 19 . 1 1 45 45 ILE CB C 45 38.193 38.193 36.205 1.988 19642 9480 1 19 . 1 1 45 45 ILE H H 45 8.319 8.319 8.890 -0.571 19642 9481 1 19 . 1 1 46 46 SER N N 46 121.541 121.541 124.278 -2.737 19642 9482 1 19 . 1 1 46 46 SER HA H 46 4.709 4.709 4.540 0.169 19642 9483 1 19 . 1 1 46 46 SER C C 46 174.061 174.061 174.210 -0.149 19642 9484 1 19 . 1 1 46 46 SER CA C 46 57.381 57.381 58.751 -1.370 19642 9485 1 19 . 1 1 46 46 SER CB C 46 64.273 64.273 62.111 2.163 19642 9486 1 19 . 1 1 46 46 SER H H 46 8.653 8.653 8.411 0.242 19642 9487 1 19 . 1 1 47 47 ASP N N 47 123.132 123.132 123.215 -0.083 19642 9488 1 19 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.639 0.019 19642 9489 1 19 . 1 1 47 47 ASP C C 47 177.203 177.203 175.420 1.783 19642 9490 1 19 . 1 1 47 47 ASP CA C 47 53.662 53.662 53.644 0.018 19642 9491 1 19 . 1 1 47 47 ASP CB C 47 41.920 41.920 41.112 0.808 19642 9492 1 19 . 1 1 47 47 ASP H H 47 8.598 8.598 8.167 0.431 19642 9493 1 19 . 1 1 48 48 ARG N N 48 122.881 122.881 116.474 6.407 19642 9494 1 19 . 1 1 48 48 ARG HA H 48 4.207 4.207 3.953 0.254 19642 9495 1 19 . 1 1 48 48 ARG C C 48 177.090 177.090 175.075 2.015 19642 9496 1 19 . 1 1 48 48 ARG CA C 48 57.206 57.206 57.090 0.116 19642 9497 1 19 . 1 1 48 48 ARG CB C 48 29.775 29.775 28.919 0.856 19642 9498 1 19 . 1 1 48 48 ARG H H 48 8.648 8.648 7.861 0.787 19642 9499 1 19 . 1 1 49 49 ASN N N 49 117.245 117.245 120.409 -3.164 19642 9500 1 19 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.764 -0.018 19642 9501 1 19 . 1 1 49 49 ASN C C 49 175.822 175.822 174.492 1.330 19642 9502 1 19 . 1 1 49 49 ASN CA C 49 53.592 53.592 54.044 -0.452 19642 9503 1 19 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.030 0.880 19642 9504 1 19 . 1 1 49 49 ASN H H 49 8.502 8.502 8.587 -0.085 19642 9505 1 19 . 1 1 50 50 SER N N 50 114.891 114.891 118.516 -3.625 19642 9506 1 19 . 1 1 50 50 SER HA H 50 4.429 4.429 4.613 -0.184 19642 9507 1 19 . 1 1 50 50 SER C C 50 175.339 175.339 173.259 2.080 19642 9508 1 19 . 1 1 50 50 SER CA C 50 58.396 58.396 58.862 -0.466 19642 9509 1 19 . 1 1 50 50 SER CB C 50 63.681 63.681 64.783 -1.102 19642 9510 1 19 . 1 1 50 50 SER H H 50 8.158 8.158 8.123 0.035 19642 9511 1 19 . 1 1 51 51 ARG N N 51 120.957 120.957 123.552 -2.595 19642 9512 1 19 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.574 -0.285 19642 9513 1 19 . 1 1 51 51 ARG C C 51 176.845 176.845 174.162 2.683 19642 9514 1 19 . 1 1 51 51 ARG CA C 51 56.672 56.672 55.700 0.972 19642 9515 1 19 . 1 1 51 51 ARG CB C 51 29.620 29.620 31.189 -1.569 19642 9516 1 19 . 1 1 51 51 ARG H H 51 8.451 8.451 8.287 0.164 19642 9517 1 19 . 1 1 52 52 ARG N N 52 119.405 119.405 122.316 -2.911 19642 9518 1 19 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.666 -0.246 19642 9519 1 19 . 1 1 52 52 ARG CA C 52 55.765 55.765 55.026 0.739 19642 9520 1 19 . 1 1 52 52 ARG CB C 52 30.875 30.875 32.044 -1.169 19642 9521 1 19 . 1 1 52 52 ARG H H 52 8.159 8.159 8.399 -0.240 19642 9522 1 19 . 1 1 53 53 SER N N 53 116.328 116.328 117.387 -1.059 19642 9523 1 19 . 1 1 53 53 SER HA H 53 4.492 4.492 4.355 0.137 19642 9524 1 19 . 1 1 53 53 SER CA C 53 58.142 58.142 59.155 -1.013 19642 9525 1 19 . 1 1 53 53 SER CB C 53 63.447 63.447 62.973 0.474 19642 9526 1 19 . 1 1 53 53 SER H H 53 8.370 8.370 8.775 -0.405 19642 9527 1 19 . 1 1 54 54 LYS N N 54 122.099 122.099 115.559 6.540 19642 9528 1 19 . 1 1 54 54 LYS HA H 54 4.499 4.499 3.962 0.537 19642 9529 1 19 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.624 -2.061 19642 9530 1 19 . 1 1 54 54 LYS CB C 54 33.079 33.079 31.323 1.756 19642 9531 1 19 . 1 1 54 54 LYS H H 54 8.374 8.374 8.564 -0.190 19642 9532 1 19 . 1 1 55 55 GLY N N 55 109.513 109.513 106.712 2.801 19642 9533 1 19 . 1 1 55 55 GLY C C 55 172.962 172.962 171.848 1.114 19642 9534 1 19 . 1 1 55 55 GLY CA C 55 45.894 45.894 45.132 0.762 19642 9535 1 19 . 1 1 55 55 GLY H H 55 8.592 8.592 7.848 0.744 19642 9536 1 19 . 1 1 56 56 ILE N N 56 114.180 114.180 116.386 -2.206 19642 9537 1 19 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.258 -0.245 19642 9538 1 19 . 1 1 56 56 ILE C C 56 175.172 175.172 173.518 1.654 19642 9539 1 19 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.046 -0.315 19642 9540 1 19 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.974 0.188 19642 9541 1 19 . 1 1 56 56 ILE H H 56 7.618 7.618 7.579 0.039 19642 9542 1 19 . 1 1 57 57 ALA N N 57 121.556 121.556 124.811 -3.255 19642 9543 1 19 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.250 -0.130 19642 9544 1 19 . 1 1 57 57 ALA C C 57 175.094 175.094 175.050 0.044 19642 9545 1 19 . 1 1 57 57 ALA CA C 57 50.699 50.699 50.816 -0.117 19642 9546 1 19 . 1 1 57 57 ALA CB C 57 24.170 24.170 23.013 1.157 19642 9547 1 19 . 1 1 57 57 ALA H H 57 8.308 8.308 7.977 0.331 19642 9548 1 19 . 1 1 58 58 TYR N N 58 118.387 118.387 118.346 0.041 19642 9549 1 19 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.549 -0.068 19642 9550 1 19 . 1 1 58 58 TYR C C 58 175.537 175.537 175.082 0.455 19642 9551 1 19 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.290 0.224 19642 9552 1 19 . 1 1 58 58 TYR CB C 58 40.607 40.607 41.764 -1.157 19642 9553 1 19 . 1 1 58 58 TYR H H 58 8.971 8.971 8.946 0.025 19642 9554 1 19 . 1 1 59 59 VAL N N 59 122.978 122.978 122.563 0.415 19642 9555 1 19 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.461 -0.085 19642 9556 1 19 . 1 1 59 59 VAL C C 59 172.631 172.631 174.669 -2.038 19642 9557 1 19 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.485 -0.268 19642 9558 1 19 . 1 1 59 59 VAL CB C 59 33.575 33.575 33.212 0.362 19642 9559 1 19 . 1 1 59 59 VAL H H 59 8.828 8.828 9.266 -0.438 19642 9560 1 19 . 1 1 60 60 GLU N N 60 128.557 128.557 128.662 -0.105 19642 9561 1 19 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.586 0.265 19642 9562 1 19 . 1 1 60 60 GLU C C 60 176.210 176.210 175.610 0.600 19642 9563 1 19 . 1 1 60 60 GLU CA C 60 53.842 53.842 54.354 -0.512 19642 9564 1 19 . 1 1 60 60 GLU CB C 60 33.103 33.103 29.934 3.169 19642 9565 1 19 . 1 1 60 60 GLU H H 60 8.774 8.774 8.625 0.149 19642 9566 1 19 . 1 1 61 61 PHE N N 61 126.659 126.659 125.006 1.653 19642 9567 1 19 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.161 0.755 19642 9568 1 19 . 1 1 61 61 PHE C C 61 176.011 176.011 176.350 -0.339 19642 9569 1 19 . 1 1 61 61 PHE CA C 61 58.586 58.586 59.429 -0.843 19642 9570 1 19 . 1 1 61 61 PHE CB C 61 41.038 41.038 39.745 1.293 19642 9571 1 19 . 1 1 61 61 PHE H H 61 9.340 9.340 7.980 1.360 19642 9572 1 19 . 1 1 62 62 VAL N N 62 118.280 118.280 116.356 1.924 19642 9573 1 19 . 1 1 62 62 VAL HA H 62 3.743 3.743 4.059 -0.316 19642 9574 1 19 . 1 1 62 62 VAL C C 62 176.097 176.097 175.804 0.293 19642 9575 1 19 . 1 1 62 62 VAL CA C 62 65.785 65.785 63.788 1.997 19642 9576 1 19 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.190 0.621 19642 9577 1 19 . 1 1 62 62 VAL H H 62 8.184 8.184 8.570 -0.386 19642 9578 1 19 . 1 1 63 63 ASP N N 63 118.269 118.269 119.429 -1.160 19642 9579 1 19 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.796 0.396 19642 9580 1 19 . 1 1 63 63 ASP C C 63 176.648 176.648 176.267 0.381 19642 9581 1 19 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.459 0.180 19642 9582 1 19 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.559 1.010 19642 9583 1 19 . 1 1 63 63 ASP H H 63 8.708 8.708 8.051 0.657 19642 9584 1 19 . 1 1 64 64 VAL N N 64 121.961 121.961 120.689 1.272 19642 9585 1 19 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.972 -0.161 19642 9586 1 19 . 1 1 64 64 VAL C C 64 178.439 178.439 177.051 1.388 19642 9587 1 19 . 1 1 64 64 VAL CA C 64 64.819 64.819 63.804 1.015 19642 9588 1 19 . 1 1 64 64 VAL CB C 64 32.050 32.050 31.932 0.118 19642 9589 1 19 . 1 1 64 64 VAL H H 64 8.609 8.609 8.229 0.380 19642 9590 1 19 . 1 1 65 65 SER N N 65 115.305 115.305 115.585 -0.280 19642 9591 1 19 . 1 1 65 65 SER HA H 65 4.143 4.143 4.126 0.017 19642 9592 1 19 . 1 1 65 65 SER C C 65 176.285 176.285 175.422 0.863 19642 9593 1 19 . 1 1 65 65 SER CA C 65 60.158 60.158 61.038 -0.879 19642 9594 1 19 . 1 1 65 65 SER CB C 65 62.066 62.066 62.748 -0.682 19642 9595 1 19 . 1 1 65 65 SER H H 65 8.492 8.492 8.787 -0.295 19642 9596 1 19 . 1 1 66 66 SER N N 66 116.053 116.053 115.047 1.006 19642 9597 1 19 . 1 1 66 66 SER HA H 66 4.024 4.024 4.015 0.009 19642 9598 1 19 . 1 1 66 66 SER C C 66 174.528 174.528 175.680 -1.152 19642 9599 1 19 . 1 1 66 66 SER CA C 66 60.749 60.749 59.684 1.065 19642 9600 1 19 . 1 1 66 66 SER CB C 66 63.063 63.063 61.905 1.158 19642 9601 1 19 . 1 1 66 66 SER H H 66 7.414 7.414 7.748 -0.334 19642 9602 1 19 . 1 1 67 67 VAL N N 67 119.830 119.830 123.119 -3.289 19642 9603 1 19 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.562 -0.242 19642 9604 1 19 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.407 0.631 19642 9605 1 19 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.647 -0.449 19642 9606 1 19 . 1 1 67 67 VAL H H 67 7.611 7.611 7.554 0.057 19642 9607 1 19 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.247 0.018 19642 9608 1 19 . 1 1 68 68 PRO C C 68 180.457 180.457 178.508 1.949 19642 9609 1 19 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.475 -0.403 19642 9610 1 19 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.275 -0.537 19642 9611 1 19 . 1 1 69 69 LEU N N 69 115.334 115.334 119.729 -4.395 19642 9612 1 19 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.958 0.141 19642 9613 1 19 . 1 1 69 69 LEU C C 69 179.450 179.450 177.774 1.676 19642 9614 1 19 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.184 -0.742 19642 9615 1 19 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.743 -0.621 19642 9616 1 19 . 1 1 69 69 LEU H H 69 6.284 6.284 7.110 -0.826 19642 9617 1 19 . 1 1 70 70 ALA N N 70 122.703 122.703 120.726 1.977 19642 9618 1 19 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.022 0.153 19642 9619 1 19 . 1 1 70 70 ALA C C 70 180.611 180.611 180.290 0.321 19642 9620 1 19 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.757 0.138 19642 9621 1 19 . 1 1 70 70 ALA CB C 70 19.544 19.544 18.260 1.284 19642 9622 1 19 . 1 1 70 70 ALA H H 70 8.342 8.342 7.735 0.607 19642 9623 1 19 . 1 1 71 71 ILE N N 71 118.692 118.692 118.273 0.419 19642 9624 1 19 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.734 0.531 19642 9625 1 19 . 1 1 71 71 ILE C C 71 179.971 179.971 177.981 1.990 19642 9626 1 19 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.682 0.435 19642 9627 1 19 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.642 0.958 19642 9628 1 19 . 1 1 71 71 ILE H H 71 8.255 8.255 7.808 0.447 19642 9629 1 19 . 1 1 72 72 GLY N N 72 106.417 106.417 105.715 0.702 19642 9630 1 19 . 1 1 72 72 GLY C C 72 174.590 174.590 175.337 -0.747 19642 9631 1 19 . 1 1 72 72 GLY CA C 72 45.891 45.891 45.898 -0.007 19642 9632 1 19 . 1 1 72 72 GLY H H 72 7.635 7.635 7.604 0.031 19642 9633 1 19 . 1 1 73 73 LEU N N 73 120.383 120.383 119.237 1.146 19642 9634 1 19 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.687 -0.276 19642 9635 1 19 . 1 1 73 73 LEU C C 73 176.338 176.338 177.618 -1.280 19642 9636 1 19 . 1 1 73 73 LEU CA C 73 54.949 54.949 53.730 1.219 19642 9637 1 19 . 1 1 73 73 LEU CB C 73 40.593 40.593 42.095 -1.502 19642 9638 1 19 . 1 1 73 73 LEU H H 73 7.767 7.767 7.520 0.247 19642 9639 1 19 . 1 1 74 74 THR N N 74 115.157 115.157 116.103 -0.946 19642 9640 1 19 . 1 1 74 74 THR HA H 74 4.060 4.060 4.117 -0.057 19642 9641 1 19 . 1 1 74 74 THR C C 74 175.656 175.656 175.380 0.276 19642 9642 1 19 . 1 1 74 74 THR CA C 74 66.177 66.177 64.712 1.465 19642 9643 1 19 . 1 1 74 74 THR CB C 74 69.821 69.821 68.761 1.060 19642 9644 1 19 . 1 1 74 74 THR H H 74 7.731 7.731 7.556 0.175 19642 9645 1 19 . 1 1 75 75 GLY N N 75 117.587 117.587 107.294 10.293 19642 9646 1 19 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.409 0.216 19642 9647 1 19 . 1 1 75 75 GLY H H 75 9.519 9.519 8.114 1.405 19642 9648 1 19 . 1 1 76 76 GLN N N 76 120.027 120.027 119.859 0.168 19642 9649 1 19 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.578 -0.264 19642 9650 1 19 . 1 1 76 76 GLN C C 76 175.015 175.015 174.339 0.676 19642 9651 1 19 . 1 1 76 76 GLN CA C 76 55.819 55.819 54.553 1.266 19642 9652 1 19 . 1 1 76 76 GLN CB C 76 28.220 28.220 31.017 -2.797 19642 9653 1 19 . 1 1 76 76 GLN H H 76 8.319 8.319 7.948 0.371 19642 9654 1 19 . 1 1 77 77 ARG N N 77 118.759 118.759 116.825 1.934 19642 9655 1 19 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.616 -0.485 19642 9656 1 19 . 1 1 77 77 ARG C C 77 176.209 176.209 175.477 0.732 19642 9657 1 19 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.348 0.743 19642 9658 1 19 . 1 1 77 77 ARG CB C 77 31.364 31.364 30.077 1.287 19642 9659 1 19 . 1 1 77 77 ARG H H 77 8.544 8.544 8.467 0.077 19642 9660 1 19 . 1 1 78 78 VAL N N 78 123.886 123.886 122.945 0.941 19642 9661 1 19 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.972 -0.137 19642 9662 1 19 . 1 1 78 78 VAL C C 78 176.570 176.570 176.031 0.539 19642 9663 1 19 . 1 1 78 78 VAL CA C 78 61.470 61.470 62.803 -1.333 19642 9664 1 19 . 1 1 78 78 VAL CB C 78 32.202 32.202 30.867 1.335 19642 9665 1 19 . 1 1 78 78 VAL H H 78 8.015 8.015 7.718 0.297 19642 9666 1 19 . 1 1 79 79 LEU N N 79 129.331 129.331 126.471 2.860 19642 9667 1 19 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.808 0.024 19642 9668 1 19 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.350 0.423 19642 9669 1 19 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.444 0.097 19642 9670 1 19 . 1 1 79 79 LEU H H 79 9.570 9.570 8.923 0.647 19642 9671 1 19 . 1 1 80 80 GLY N N 80 100.301 100.301 104.291 -3.990 19642 9672 1 19 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.909 0.320 19642 9673 1 19 . 1 1 80 80 GLY H H 80 8.316 8.316 7.853 0.463 19642 9674 1 19 . 1 1 81 81 VAL N N 81 122.763 122.763 121.863 0.900 19642 9675 1 19 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.391 0.246 19642 9676 1 19 . 1 1 81 81 VAL CA C 81 59.355 59.355 59.562 -0.207 19642 9677 1 19 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.925 2.972 19642 9678 1 19 . 1 1 81 81 VAL H H 81 7.632 7.632 7.843 -0.211 19642 9679 1 19 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.699 -0.367 19642 9680 1 19 . 1 1 82 82 PRO C C 82 175.005 175.005 175.866 -0.861 19642 9681 1 19 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.099 0.404 19642 9682 1 19 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.921 -1.641 19642 9683 1 19 . 1 1 83 83 ILE N N 83 126.022 126.022 117.544 8.478 19642 9684 1 19 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.543 0.083 19642 9685 1 19 . 1 1 83 83 ILE C C 83 175.679 175.679 174.382 1.297 19642 9686 1 19 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.501 2.468 19642 9687 1 19 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.351 -0.438 19642 9688 1 19 . 1 1 83 83 ILE H H 83 8.391 8.391 8.110 0.281 19642 9689 1 19 . 1 1 84 84 ILE N N 84 125.284 125.284 120.000 5.284 19642 9690 1 19 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.512 -0.079 19642 9691 1 19 . 1 1 84 84 ILE C C 84 174.418 174.418 177.201 -2.783 19642 9692 1 19 . 1 1 84 84 ILE CA C 84 61.313 61.313 58.758 2.555 19642 9693 1 19 . 1 1 84 84 ILE CB C 84 39.900 39.900 40.259 -0.359 19642 9694 1 19 . 1 1 84 84 ILE H H 84 7.842 7.842 8.440 -0.598 19642 9695 1 19 . 1 1 85 85 VAL N N 85 128.143 128.143 122.473 5.670 19642 9696 1 19 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.794 -0.177 19642 9697 1 19 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.048 0.839 19642 9698 1 19 . 1 1 85 85 VAL CB C 85 34.069 34.069 32.101 1.968 19642 9699 1 19 . 1 1 85 85 VAL H H 85 8.400 8.400 8.375 0.025 19642 9700 1 19 . 1 1 86 86 GLN N N 86 122.965 122.965 119.370 3.595 19642 9701 1 19 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.164 0.739 19642 9702 1 19 . 1 1 86 86 GLN C C 86 175.590 175.590 176.330 -0.740 19642 9703 1 19 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.087 3.669 19642 9704 1 19 . 1 1 86 86 GLN CB C 86 34.013 34.013 29.050 4.963 19642 9705 1 19 . 1 1 86 86 GLN H H 86 9.242 9.242 7.928 1.314 19642 9706 1 19 . 1 1 87 87 ALA N N 87 123.174 123.174 120.063 3.111 19642 9707 1 19 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.169 0.187 19642 9708 1 19 . 1 1 87 87 ALA C C 87 178.095 178.095 176.238 1.857 19642 9709 1 19 . 1 1 87 87 ALA CA C 87 52.825 52.825 53.027 -0.202 19642 9710 1 19 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.352 0.182 19642 9711 1 19 . 1 1 87 87 ALA H H 87 8.907 8.907 8.020 0.887 19642 9712 1 19 . 1 1 88 88 SER N N 88 114.952 114.952 117.400 -2.448 19642 9713 1 19 . 1 1 88 88 SER HA H 88 4.294 4.294 4.663 -0.369 19642 9714 1 19 . 1 1 88 88 SER C C 88 175.470 175.470 173.488 1.982 19642 9715 1 19 . 1 1 88 88 SER CA C 88 59.617 59.617 58.376 1.241 19642 9716 1 19 . 1 1 88 88 SER CB C 88 63.409 63.409 63.129 0.280 19642 9717 1 19 . 1 1 88 88 SER H H 88 8.343 8.343 8.345 -0.002 19642 9718 1 19 . 1 1 89 89 GLN N N 89 121.151 121.151 125.521 -4.370 19642 9719 1 19 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.586 -0.273 19642 9720 1 19 . 1 1 89 89 GLN C C 89 175.838 175.838 175.113 0.725 19642 9721 1 19 . 1 1 89 89 GLN CA C 89 55.286 55.286 53.763 1.523 19642 9722 1 19 . 1 1 89 89 GLN CB C 89 29.333 29.333 30.046 -0.713 19642 9723 1 19 . 1 1 89 89 GLN H H 89 8.348 8.348 8.071 0.277 19642 9724 1 19 . 1 1 90 90 ALA N N 90 124.942 124.942 123.245 1.697 19642 9725 1 19 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.258 -0.055 19642 9726 1 19 . 1 1 90 90 ALA C C 90 178.381 178.381 177.959 0.422 19642 9727 1 19 . 1 1 90 90 ALA CA C 90 52.762 52.762 52.276 0.486 19642 9728 1 19 . 1 1 90 90 ALA CB C 90 19.071 19.071 18.917 0.154 19642 9729 1 19 . 1 1 90 90 ALA H H 90 8.245 8.245 8.497 -0.252 19642 9730 1 19 . 1 1 91 91 GLU N N 91 119.604 119.604 125.175 -5.571 19642 9731 1 19 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.332 -0.179 19642 9732 1 19 . 1 1 91 91 GLU C C 91 176.986 176.986 175.225 1.761 19642 9733 1 19 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.044 0.491 19642 9734 1 19 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.377 1.652 19642 9735 1 19 . 1 1 91 91 GLU H H 91 8.414 8.414 8.787 -0.373 19642 9736 1 19 . 1 1 92 92 LYS N N 92 121.284 121.284 120.845 0.439 19642 9737 1 19 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.576 -0.286 19642 9738 1 19 . 1 1 92 92 LYS C C 92 176.699 176.699 175.072 1.627 19642 9739 1 19 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.361 0.681 19642 9740 1 19 . 1 1 92 92 LYS CB C 92 32.705 32.705 35.520 -2.815 19642 9741 1 19 . 1 1 92 92 LYS H H 92 8.212 8.212 7.717 0.495 19642 9742 1 19 . 1 1 93 93 ASN N N 93 119.221 119.221 118.726 0.495 19642 9743 1 19 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.851 -0.151 19642 9744 1 19 . 1 1 93 93 ASN C C 93 174.424 174.424 173.972 0.452 19642 9745 1 19 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.104 0.006 19642 9746 1 19 . 1 1 93 93 ASN CB C 93 38.726 38.726 40.318 -1.592 19642 9747 1 19 . 1 1 93 93 ASN H H 93 8.370 8.370 8.458 -0.088 19642 9748 1 20 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.572 0.121 19642 9749 1 20 . 1 1 2 2 HIS C C 2 175.244 175.244 174.798 0.446 19642 9750 1 20 . 1 1 2 2 HIS CA C 2 55.849 55.849 57.013 -1.164 19642 9751 1 20 . 1 1 2 2 HIS CB C 2 30.165 30.165 30.010 0.155 19642 9752 1 20 . 1 1 3 3 MET HA H 3 4.464 4.464 4.542 -0.078 19642 9753 1 20 . 1 1 3 3 MET C C 3 175.896 175.896 175.729 0.167 19642 9754 1 20 . 1 1 3 3 MET CA C 3 55.188 55.188 55.484 -0.296 19642 9755 1 20 . 1 1 3 3 MET CB C 3 32.736 32.736 34.019 -1.283 19642 9756 1 20 . 1 1 4 4 ASN N N 4 120.610 120.610 120.392 0.218 19642 9757 1 20 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.769 -0.017 19642 9758 1 20 . 1 1 4 4 ASN C C 4 175.033 175.033 174.459 0.574 19642 9759 1 20 . 1 1 4 4 ASN CA C 4 52.728 52.728 52.594 0.134 19642 9760 1 20 . 1 1 4 4 ASN CB C 4 38.604 38.604 39.846 -1.242 19642 9761 1 20 . 1 1 4 4 ASN H H 4 8.564 8.564 8.238 0.326 19642 9762 1 20 . 1 1 5 5 LEU N N 5 122.314 122.314 125.369 -3.055 19642 9763 1 20 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.266 0.344 19642 9764 1 20 . 1 1 5 5 LEU C C 5 178.178 178.178 177.313 0.865 19642 9765 1 20 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.874 -0.569 19642 9766 1 20 . 1 1 5 5 LEU CB C 5 43.343 43.343 41.043 2.300 19642 9767 1 20 . 1 1 5 5 LEU H H 5 8.046 8.046 8.417 -0.371 19642 9768 1 20 . 1 1 6 6 THR N N 6 115.483 115.483 118.758 -3.275 19642 9769 1 20 . 1 1 6 6 THR HA H 6 4.626 4.626 4.634 -0.008 19642 9770 1 20 . 1 1 6 6 THR CA C 6 60.039 60.039 59.987 0.052 19642 9771 1 20 . 1 1 6 6 THR CB C 6 68.119 68.119 68.687 -0.568 19642 9772 1 20 . 1 1 6 6 THR H H 6 8.948 8.948 8.128 0.820 19642 9773 1 20 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.252 -0.109 19642 9774 1 20 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.641 -0.068 19642 9775 1 20 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.877 -0.237 19642 9776 1 20 . 1 1 8 8 GLU N N 8 116.691 116.691 117.231 -0.540 19642 9777 1 20 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.080 0.031 19642 9778 1 20 . 1 1 8 8 GLU CA C 8 59.572 59.572 58.929 0.642 19642 9779 1 20 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.029 -0.140 19642 9780 1 20 . 1 1 8 8 GLU H H 8 8.753 8.753 8.674 0.079 19642 9781 1 20 . 1 1 9 9 GLU N N 9 121.235 121.235 120.027 1.208 19642 9782 1 20 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.010 0.031 19642 9783 1 20 . 1 1 9 9 GLU C C 9 180.194 180.194 179.100 1.094 19642 9784 1 20 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.336 -0.809 19642 9785 1 20 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.330 1.236 19642 9786 1 20 . 1 1 9 9 GLU H H 9 7.823 7.823 7.945 -0.122 19642 9787 1 20 . 1 1 10 10 ARG N N 10 120.373 120.373 118.676 1.697 19642 9788 1 20 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.052 -0.165 19642 9789 1 20 . 1 1 10 10 ARG C C 10 180.714 180.714 177.510 3.204 19642 9790 1 20 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.795 0.990 19642 9791 1 20 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.202 -0.331 19642 9792 1 20 . 1 1 10 10 ARG H H 10 8.363 8.363 7.524 0.839 19642 9793 1 20 . 1 1 11 11 ASP N N 11 123.103 123.103 117.361 5.742 19642 9794 1 20 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.647 -0.333 19642 9795 1 20 . 1 1 11 11 ASP C C 11 179.081 179.081 176.703 2.378 19642 9796 1 20 . 1 1 11 11 ASP CA C 11 57.683 57.683 55.245 2.438 19642 9797 1 20 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.280 -1.258 19642 9798 1 20 . 1 1 11 11 ASP H H 11 8.709 8.709 7.553 1.156 19642 9799 1 20 . 1 1 12 12 ALA N N 12 119.926 119.926 121.577 -1.651 19642 9800 1 20 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.173 0.070 19642 9801 1 20 . 1 1 12 12 ALA C C 12 177.593 177.593 177.881 -0.288 19642 9802 1 20 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.218 0.590 19642 9803 1 20 . 1 1 12 12 ALA CB C 12 18.341 18.341 19.821 -1.480 19642 9804 1 20 . 1 1 12 12 ALA H H 12 7.615 7.615 7.529 0.086 19642 9805 1 20 . 1 1 13 13 ARG N N 13 113.504 113.504 116.363 -2.859 19642 9806 1 20 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.049 0.378 19642 9807 1 20 . 1 1 13 13 ARG C C 13 174.905 174.905 174.829 0.076 19642 9808 1 20 . 1 1 13 13 ARG CA C 13 55.588 55.588 56.402 -0.814 19642 9809 1 20 . 1 1 13 13 ARG CB C 13 30.789 30.789 27.948 2.841 19642 9810 1 20 . 1 1 13 13 ARG H H 13 7.204 7.204 8.047 -0.843 19642 9811 1 20 . 1 1 14 14 THR N N 14 117.103 117.103 112.811 4.292 19642 9812 1 20 . 1 1 14 14 THR HA H 14 5.589 5.589 5.267 0.322 19642 9813 1 20 . 1 1 14 14 THR C C 14 174.610 174.610 174.642 -0.032 19642 9814 1 20 . 1 1 14 14 THR CA C 14 61.993 61.993 61.556 0.437 19642 9815 1 20 . 1 1 14 14 THR CB C 14 70.185 70.185 70.715 -0.530 19642 9816 1 20 . 1 1 14 14 THR H H 14 7.685 7.685 7.776 -0.091 19642 9817 1 20 . 1 1 15 15 VAL N N 15 117.127 117.127 119.685 -2.558 19642 9818 1 20 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.575 0.505 19642 9819 1 20 . 1 1 15 15 VAL C C 15 173.786 173.786 174.026 -0.240 19642 9820 1 20 . 1 1 15 15 VAL CA C 15 58.585 58.585 60.030 -1.445 19642 9821 1 20 . 1 1 15 15 VAL CB C 15 33.823 33.823 34.443 -0.620 19642 9822 1 20 . 1 1 15 15 VAL H H 15 9.154 9.154 9.022 0.132 19642 9823 1 20 . 1 1 16 16 PHE N N 16 122.697 122.697 127.635 -4.938 19642 9824 1 20 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.984 0.199 19642 9825 1 20 . 1 1 16 16 PHE C C 16 174.520 174.520 175.408 -0.888 19642 9826 1 20 . 1 1 16 16 PHE CA C 16 54.981 54.981 54.445 0.536 19642 9827 1 20 . 1 1 16 16 PHE CB C 16 42.266 42.266 38.451 3.815 19642 9828 1 20 . 1 1 16 16 PHE H H 16 9.359 9.359 8.633 0.726 19642 9829 1 20 . 1 1 17 17 CYS N N 17 122.356 122.356 128.540 -6.184 19642 9830 1 20 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.303 1.264 19642 9831 1 20 . 1 1 17 17 CYS C C 17 173.018 173.018 173.233 -0.215 19642 9832 1 20 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.655 -2.947 19642 9833 1 20 . 1 1 17 17 CYS CB C 17 30.776 30.776 28.702 2.074 19642 9834 1 20 . 1 1 17 17 CYS H H 17 8.931 8.931 8.938 -0.007 19642 9835 1 20 . 1 1 18 18 MET N N 18 117.884 117.884 123.986 -6.102 19642 9836 1 20 . 1 1 18 18 MET HA H 18 4.846 4.846 4.587 0.259 19642 9837 1 20 . 1 1 18 18 MET C C 18 173.706 173.706 174.613 -0.907 19642 9838 1 20 . 1 1 18 18 MET CA C 18 53.623 53.623 55.078 -1.455 19642 9839 1 20 . 1 1 18 18 MET CB C 18 31.772 31.772 32.416 -0.644 19642 9840 1 20 . 1 1 18 18 MET H H 18 8.818 8.818 8.736 0.082 19642 9841 1 20 . 1 1 19 19 GLN N N 19 115.022 115.022 119.491 -4.469 19642 9842 1 20 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.439 -0.741 19642 9843 1 20 . 1 1 19 19 GLN C C 19 173.403 173.403 173.661 -0.258 19642 9844 1 20 . 1 1 19 19 GLN CA C 19 57.009 57.009 54.782 2.227 19642 9845 1 20 . 1 1 19 19 GLN CB C 19 27.922 27.922 30.324 -2.402 19642 9846 1 20 . 1 1 19 19 GLN H H 19 8.463 8.463 8.208 0.255 19642 9847 1 20 . 1 1 20 20 LEU N N 20 116.032 116.032 120.577 -4.545 19642 9848 1 20 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.467 -0.213 19642 9849 1 20 . 1 1 20 20 LEU C C 20 177.827 177.827 176.210 1.617 19642 9850 1 20 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.458 -1.863 19642 9851 1 20 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.618 0.640 19642 9852 1 20 . 1 1 20 20 LEU H H 20 7.685 7.685 7.422 0.263 19642 9853 1 20 . 1 1 21 21 ALA N N 21 125.644 125.644 121.946 3.698 19642 9854 1 20 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.492 -0.347 19642 9855 1 20 . 1 1 21 21 ALA C C 21 178.868 178.868 177.712 1.156 19642 9856 1 20 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.272 0.390 19642 9857 1 20 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.811 -1.457 19642 9858 1 20 . 1 1 21 21 ALA H H 21 9.473 9.473 8.323 1.150 19642 9859 1 20 . 1 1 22 22 ALA N N 22 124.495 124.495 123.655 0.840 19642 9860 1 20 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.253 -0.144 19642 9861 1 20 . 1 1 22 22 ALA C C 22 179.705 179.705 177.520 2.185 19642 9862 1 20 . 1 1 22 22 ALA CA C 22 54.560 54.560 53.013 1.547 19642 9863 1 20 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.151 0.207 19642 9864 1 20 . 1 1 22 22 ALA H H 22 8.583 8.583 8.649 -0.066 19642 9865 1 20 . 1 1 23 23 ARG N N 23 111.716 111.716 116.171 -4.455 19642 9866 1 20 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.428 -0.060 19642 9867 1 20 . 1 1 23 23 ARG C C 23 176.243 176.243 175.921 0.322 19642 9868 1 20 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.042 0.094 19642 9869 1 20 . 1 1 23 23 ARG CB C 23 29.161 29.161 30.265 -1.104 19642 9870 1 20 . 1 1 23 23 ARG H H 23 7.905 7.905 7.608 0.297 19642 9871 1 20 . 1 1 24 24 ILE N N 24 121.734 121.734 122.072 -0.338 19642 9872 1 20 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.054 -0.162 19642 9873 1 20 . 1 1 24 24 ILE C C 24 173.297 173.297 175.372 -2.075 19642 9874 1 20 . 1 1 24 24 ILE CA C 24 61.336 61.336 60.477 0.859 19642 9875 1 20 . 1 1 24 24 ILE CB C 24 38.751 38.751 39.231 -0.480 19642 9876 1 20 . 1 1 24 24 ILE H H 24 7.270 7.270 7.798 -0.528 19642 9877 1 20 . 1 1 25 25 ARG N N 25 125.810 125.810 126.123 -0.313 19642 9878 1 20 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.737 0.218 19642 9879 1 20 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.296 -0.879 19642 9880 1 20 . 1 1 25 25 ARG CB C 25 30.964 30.964 31.681 -0.717 19642 9881 1 20 . 1 1 25 25 ARG H H 25 8.994 8.994 8.266 0.728 19642 9882 1 20 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.285 -0.225 19642 9883 1 20 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.590 1.082 19642 9884 1 20 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.099 -0.639 19642 9885 1 20 . 1 1 27 27 ARG N N 27 114.118 114.118 118.115 -3.997 19642 9886 1 20 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.323 -0.083 19642 9887 1 20 . 1 1 27 27 ARG C C 27 178.376 178.376 177.776 0.600 19642 9888 1 20 . 1 1 27 27 ARG CA C 27 58.115 58.115 59.495 -1.380 19642 9889 1 20 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.823 -0.282 19642 9890 1 20 . 1 1 27 27 ARG H H 27 8.362 8.362 8.528 -0.166 19642 9891 1 20 . 1 1 28 28 ASP N N 28 116.954 116.954 119.459 -2.505 19642 9892 1 20 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.432 0.029 19642 9893 1 20 . 1 1 28 28 ASP C C 28 180.328 180.328 178.065 2.263 19642 9894 1 20 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.267 0.260 19642 9895 1 20 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.280 1.284 19642 9896 1 20 . 1 1 28 28 ASP H H 28 7.688 7.688 7.891 -0.203 19642 9897 1 20 . 1 1 29 29 LEU N N 29 117.931 117.931 117.543 0.388 19642 9898 1 20 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.445 -0.128 19642 9899 1 20 . 1 1 29 29 LEU C C 29 178.541 178.541 178.616 -0.075 19642 9900 1 20 . 1 1 29 29 LEU CA C 29 56.849 56.849 56.233 0.616 19642 9901 1 20 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.578 0.194 19642 9902 1 20 . 1 1 29 29 LEU H H 29 7.173 7.173 7.702 -0.529 19642 9903 1 20 . 1 1 30 30 GLU N N 30 121.321 121.321 119.741 1.580 19642 9904 1 20 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.216 -0.428 19642 9905 1 20 . 1 1 30 30 GLU C C 30 179.497 179.497 178.467 1.030 19642 9906 1 20 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.473 0.826 19642 9907 1 20 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.525 0.147 19642 9908 1 20 . 1 1 30 30 GLU H H 30 8.632 8.632 7.678 0.954 19642 9909 1 20 . 1 1 31 31 GLU N N 31 118.162 118.162 118.389 -0.227 19642 9910 1 20 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.214 -0.147 19642 9911 1 20 . 1 1 31 31 GLU C C 31 179.635 179.635 178.783 0.852 19642 9912 1 20 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.059 1.298 19642 9913 1 20 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.569 -0.073 19642 9914 1 20 . 1 1 31 31 GLU H H 31 8.405 8.405 8.509 -0.104 19642 9915 1 20 . 1 1 32 32 PHE N N 32 120.127 120.127 121.512 -1.385 19642 9916 1 20 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.043 0.310 19642 9917 1 20 . 1 1 32 32 PHE C C 32 177.183 177.183 176.272 0.911 19642 9918 1 20 . 1 1 32 32 PHE CA C 32 60.941 60.941 59.961 0.980 19642 9919 1 20 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.387 1.535 19642 9920 1 20 . 1 1 32 32 PHE H H 32 7.767 7.767 7.859 -0.092 19642 9921 1 20 . 1 1 33 33 PHE N N 33 112.879 112.879 114.742 -1.863 19642 9922 1 20 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.477 -0.226 19642 9923 1 20 . 1 1 33 33 PHE C C 33 177.304 177.304 177.389 -0.085 19642 9924 1 20 . 1 1 33 33 PHE CA C 33 61.179 61.179 57.649 3.530 19642 9925 1 20 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.414 0.166 19642 9926 1 20 . 1 1 33 33 PHE H H 33 8.489 8.489 7.476 1.013 19642 9927 1 20 . 1 1 34 34 SER N N 34 115.870 115.870 116.291 -0.421 19642 9928 1 20 . 1 1 34 34 SER HA H 34 5.119 5.119 4.528 0.591 19642 9929 1 20 . 1 1 34 34 SER C C 34 175.464 175.464 176.190 -0.726 19642 9930 1 20 . 1 1 34 34 SER CA C 34 61.268 61.268 60.689 0.579 19642 9931 1 20 . 1 1 34 34 SER CB C 34 62.915 62.915 63.076 -0.161 19642 9932 1 20 . 1 1 34 34 SER H H 34 7.997 7.997 7.743 0.254 19642 9933 1 20 . 1 1 35 35 THR N N 35 110.934 110.934 115.673 -4.739 19642 9934 1 20 . 1 1 35 35 THR HA H 35 4.147 4.147 4.288 -0.141 19642 9935 1 20 . 1 1 35 35 THR C C 35 176.410 176.410 175.352 1.058 19642 9936 1 20 . 1 1 35 35 THR CA C 35 63.756 63.756 64.480 -0.724 19642 9937 1 20 . 1 1 35 35 THR CB C 35 68.802 68.802 68.969 -0.167 19642 9938 1 20 . 1 1 35 35 THR H H 35 7.188 7.188 8.046 -0.858 19642 9939 1 20 . 1 1 36 36 VAL N N 36 111.644 111.644 114.393 -2.749 19642 9940 1 20 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.624 -0.001 19642 9941 1 20 . 1 1 36 36 VAL C C 36 176.046 176.046 175.690 0.356 19642 9942 1 20 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.482 -1.010 19642 9943 1 20 . 1 1 36 36 VAL CB C 36 32.425 32.425 34.018 -1.593 19642 9944 1 20 . 1 1 36 36 VAL H H 36 7.665 7.665 7.926 -0.261 19642 9945 1 20 . 1 1 37 37 GLY N N 37 109.343 109.343 110.399 -1.056 19642 9946 1 20 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.758 -0.488 19642 9947 1 20 . 1 1 37 37 GLY H H 37 7.640 7.640 7.707 -0.067 19642 9948 1 20 . 1 1 38 38 LYS N N 38 117.953 117.953 118.705 -0.752 19642 9949 1 20 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.631 -0.092 19642 9950 1 20 . 1 1 38 38 LYS CA C 38 55.724 55.724 54.530 1.194 19642 9951 1 20 . 1 1 38 38 LYS CB C 38 32.875 32.875 35.730 -2.855 19642 9952 1 20 . 1 1 38 38 LYS H H 38 8.246 8.246 7.883 0.363 19642 9953 1 20 . 1 1 39 39 VAL N N 39 128.639 128.639 121.067 7.572 19642 9954 1 20 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.597 0.088 19642 9955 1 20 . 1 1 39 39 VAL CA C 39 62.816 62.816 62.127 0.689 19642 9956 1 20 . 1 1 39 39 VAL CB C 39 32.992 32.992 33.172 -0.180 19642 9957 1 20 . 1 1 39 39 VAL H H 39 9.126 9.126 8.318 0.808 19642 9958 1 20 . 1 1 40 40 ARG N N 40 129.292 129.292 127.901 1.391 19642 9959 1 20 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.237 0.042 19642 9960 1 20 . 1 1 40 40 ARG C C 40 175.643 175.643 176.344 -0.701 19642 9961 1 20 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.390 -1.056 19642 9962 1 20 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.283 0.377 19642 9963 1 20 . 1 1 40 40 ARG H H 40 9.573 9.573 8.798 0.775 19642 9964 1 20 . 1 1 41 41 ASP N N 41 116.255 116.255 118.195 -1.940 19642 9965 1 20 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.975 -0.135 19642 9966 1 20 . 1 1 41 41 ASP C C 41 173.674 173.674 174.271 -0.597 19642 9967 1 20 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.482 0.223 19642 9968 1 20 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.975 -0.072 19642 9969 1 20 . 1 1 41 41 ASP H H 41 7.762 7.762 8.126 -0.364 19642 9970 1 20 . 1 1 42 42 VAL N N 42 122.442 122.442 121.053 1.389 19642 9971 1 20 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.281 0.354 19642 9972 1 20 . 1 1 42 42 VAL C C 42 174.714 174.714 175.194 -0.480 19642 9973 1 20 . 1 1 42 42 VAL CA C 42 61.274 61.274 62.031 -0.757 19642 9974 1 20 . 1 1 42 42 VAL CB C 42 34.832 34.832 32.770 2.062 19642 9975 1 20 . 1 1 42 42 VAL H H 42 7.939 7.939 8.443 -0.504 19642 9976 1 20 . 1 1 43 43 ARG N N 43 126.687 126.687 129.959 -3.272 19642 9977 1 20 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.764 0.001 19642 9978 1 20 . 1 1 43 43 ARG C C 43 175.278 175.278 174.124 1.154 19642 9979 1 20 . 1 1 43 43 ARG CA C 43 54.378 54.378 56.126 -1.748 19642 9980 1 20 . 1 1 43 43 ARG CB C 43 32.434 32.434 32.651 -0.217 19642 9981 1 20 . 1 1 43 43 ARG H H 43 9.171 9.171 8.589 0.582 19642 9982 1 20 . 1 1 44 44 MET N N 44 123.092 123.092 121.176 1.916 19642 9983 1 20 . 1 1 44 44 MET HA H 44 4.906 4.906 4.859 0.047 19642 9984 1 20 . 1 1 44 44 MET C C 44 176.360 176.360 174.964 1.396 19642 9985 1 20 . 1 1 44 44 MET CA C 44 53.152 53.152 54.793 -1.641 19642 9986 1 20 . 1 1 44 44 MET CB C 44 32.940 32.940 36.527 -3.587 19642 9987 1 20 . 1 1 44 44 MET H H 44 8.939 8.939 8.451 0.488 19642 9988 1 20 . 1 1 45 45 ILE N N 45 124.146 124.146 120.386 3.760 19642 9989 1 20 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.501 -0.041 19642 9990 1 20 . 1 1 45 45 ILE C C 45 175.961 175.961 175.043 0.918 19642 9991 1 20 . 1 1 45 45 ILE CA C 45 59.947 59.947 61.327 -1.380 19642 9992 1 20 . 1 1 45 45 ILE CB C 45 38.193 38.193 37.826 0.367 19642 9993 1 20 . 1 1 45 45 ILE H H 45 8.319 8.319 8.698 -0.379 19642 9994 1 20 . 1 1 46 46 SER N N 46 121.541 121.541 117.874 3.667 19642 9995 1 20 . 1 1 46 46 SER HA H 46 4.709 4.709 4.893 -0.184 19642 9996 1 20 . 1 1 46 46 SER C C 46 174.061 174.061 173.641 0.420 19642 9997 1 20 . 1 1 46 46 SER CA C 46 57.381 57.381 58.082 -0.701 19642 9998 1 20 . 1 1 46 46 SER CB C 46 64.273 64.273 63.920 0.353 19642 9999 1 20 . 1 1 46 46 SER H H 46 8.653 8.653 8.558 0.095 19642 10000 1 20 . 1 1 47 47 ASP N N 47 123.132 123.132 120.910 2.222 19642 10001 1 20 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.838 -0.180 19642 10002 1 20 . 1 1 47 47 ASP C C 47 177.203 177.203 175.445 1.758 19642 10003 1 20 . 1 1 47 47 ASP CA C 47 53.662 53.662 53.881 -0.219 19642 10004 1 20 . 1 1 47 47 ASP CB C 47 41.920 41.920 42.709 -0.789 19642 10005 1 20 . 1 1 47 47 ASP H H 47 8.598 8.598 7.906 0.692 19642 10006 1 20 . 1 1 48 48 ARG N N 48 122.881 122.881 122.865 0.016 19642 10007 1 20 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.553 -0.346 19642 10008 1 20 . 1 1 48 48 ARG C C 48 177.090 177.090 175.583 1.507 19642 10009 1 20 . 1 1 48 48 ARG CA C 48 57.206 57.206 56.745 0.461 19642 10010 1 20 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.891 -2.116 19642 10011 1 20 . 1 1 48 48 ARG H H 48 8.648 8.648 8.848 -0.200 19642 10012 1 20 . 1 1 49 49 ASN N N 49 117.245 117.245 114.978 2.267 19642 10013 1 20 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.720 0.026 19642 10014 1 20 . 1 1 49 49 ASN C C 49 175.822 175.822 174.146 1.676 19642 10015 1 20 . 1 1 49 49 ASN CA C 49 53.592 53.592 53.255 0.337 19642 10016 1 20 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.576 0.334 19642 10017 1 20 . 1 1 49 49 ASN H H 49 8.502 8.502 8.168 0.334 19642 10018 1 20 . 1 1 50 50 SER N N 50 114.891 114.891 115.438 -0.547 19642 10019 1 20 . 1 1 50 50 SER HA H 50 4.429 4.429 4.619 -0.190 19642 10020 1 20 . 1 1 50 50 SER C C 50 175.339 175.339 173.018 2.321 19642 10021 1 20 . 1 1 50 50 SER CA C 50 58.396 58.396 57.602 0.794 19642 10022 1 20 . 1 1 50 50 SER CB C 50 63.681 63.681 64.903 -1.222 19642 10023 1 20 . 1 1 50 50 SER H H 50 8.158 8.158 7.688 0.470 19642 10024 1 20 . 1 1 51 51 ARG N N 51 120.957 120.957 121.534 -0.577 19642 10025 1 20 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.617 -0.328 19642 10026 1 20 . 1 1 51 51 ARG C C 51 176.845 176.845 175.567 1.278 19642 10027 1 20 . 1 1 51 51 ARG CA C 51 56.672 56.672 55.938 0.734 19642 10028 1 20 . 1 1 51 51 ARG CB C 51 29.620 29.620 30.262 -0.642 19642 10029 1 20 . 1 1 51 51 ARG H H 51 8.451 8.451 8.623 -0.172 19642 10030 1 20 . 1 1 52 52 ARG N N 52 119.405 119.405 121.820 -2.415 19642 10031 1 20 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.611 -0.191 19642 10032 1 20 . 1 1 52 52 ARG CA C 52 55.765 55.765 54.784 0.981 19642 10033 1 20 . 1 1 52 52 ARG CB C 52 30.875 30.875 33.027 -2.152 19642 10034 1 20 . 1 1 52 52 ARG H H 52 8.159 8.159 8.504 -0.345 19642 10035 1 20 . 1 1 53 53 SER N N 53 116.328 116.328 118.328 -2.000 19642 10036 1 20 . 1 1 53 53 SER HA H 53 4.492 4.492 4.408 0.084 19642 10037 1 20 . 1 1 53 53 SER CA C 53 58.142 58.142 58.993 -0.851 19642 10038 1 20 . 1 1 53 53 SER CB C 53 63.447 63.447 62.164 1.283 19642 10039 1 20 . 1 1 53 53 SER H H 53 8.370 8.370 8.633 -0.263 19642 10040 1 20 . 1 1 54 54 LYS N N 54 122.099 122.099 120.995 1.104 19642 10041 1 20 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.561 -0.062 19642 10042 1 20 . 1 1 54 54 LYS CA C 54 55.563 55.563 56.732 -1.169 19642 10043 1 20 . 1 1 54 54 LYS CB C 54 33.079 33.079 32.855 0.224 19642 10044 1 20 . 1 1 54 54 LYS H H 54 8.374 8.374 8.030 0.344 19642 10045 1 20 . 1 1 55 55 GLY N N 55 109.513 109.513 110.141 -0.628 19642 10046 1 20 . 1 1 55 55 GLY C C 55 172.962 172.962 172.698 0.264 19642 10047 1 20 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.661 1.233 19642 10048 1 20 . 1 1 55 55 GLY H H 55 8.592 8.592 8.419 0.173 19642 10049 1 20 . 1 1 56 56 ILE N N 56 114.180 114.180 117.616 -3.436 19642 10050 1 20 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.357 -0.345 19642 10051 1 20 . 1 1 56 56 ILE C C 56 175.172 175.172 173.486 1.686 19642 10052 1 20 . 1 1 56 56 ILE CA C 56 58.731 58.731 59.926 -1.195 19642 10053 1 20 . 1 1 56 56 ILE CB C 56 42.162 42.162 42.096 0.066 19642 10054 1 20 . 1 1 56 56 ILE H H 56 7.618 7.618 7.588 0.030 19642 10055 1 20 . 1 1 57 57 ALA N N 57 121.556 121.556 125.523 -3.967 19642 10056 1 20 . 1 1 57 57 ALA HA H 57 5.120 5.120 4.980 0.140 19642 10057 1 20 . 1 1 57 57 ALA C C 57 175.094 175.094 174.888 0.206 19642 10058 1 20 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.517 -0.818 19642 10059 1 20 . 1 1 57 57 ALA CB C 57 24.170 24.170 23.144 1.026 19642 10060 1 20 . 1 1 57 57 ALA H H 57 8.308 8.308 8.639 -0.331 19642 10061 1 20 . 1 1 58 58 TYR N N 58 118.387 118.387 119.710 -1.323 19642 10062 1 20 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.376 0.105 19642 10063 1 20 . 1 1 58 58 TYR C C 58 175.537 175.537 175.477 0.060 19642 10064 1 20 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.872 -0.358 19642 10065 1 20 . 1 1 58 58 TYR CB C 58 40.607 40.607 40.265 0.342 19642 10066 1 20 . 1 1 58 58 TYR H H 58 8.971 8.971 8.983 -0.012 19642 10067 1 20 . 1 1 59 59 VAL N N 59 122.978 122.978 124.951 -1.973 19642 10068 1 20 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.210 0.166 19642 10069 1 20 . 1 1 59 59 VAL C C 59 172.631 172.631 175.785 -3.154 19642 10070 1 20 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.696 -0.479 19642 10071 1 20 . 1 1 59 59 VAL CB C 59 33.575 33.575 31.753 1.822 19642 10072 1 20 . 1 1 59 59 VAL H H 59 8.828 8.828 9.258 -0.430 19642 10073 1 20 . 1 1 60 60 GLU N N 60 128.557 128.557 128.454 0.103 19642 10074 1 20 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.539 0.312 19642 10075 1 20 . 1 1 60 60 GLU C C 60 176.210 176.210 175.221 0.989 19642 10076 1 20 . 1 1 60 60 GLU CA C 60 53.842 53.842 55.406 -1.564 19642 10077 1 20 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.717 2.386 19642 10078 1 20 . 1 1 60 60 GLU H H 60 8.774 8.774 8.815 -0.041 19642 10079 1 20 . 1 1 61 61 PHE N N 61 126.659 126.659 124.470 2.189 19642 10080 1 20 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.530 0.386 19642 10081 1 20 . 1 1 61 61 PHE C C 61 176.011 176.011 175.584 0.427 19642 10082 1 20 . 1 1 61 61 PHE CA C 61 58.586 58.586 58.133 0.453 19642 10083 1 20 . 1 1 61 61 PHE CB C 61 41.038 41.038 42.110 -1.072 19642 10084 1 20 . 1 1 61 61 PHE H H 61 9.340 9.340 8.765 0.575 19642 10085 1 20 . 1 1 62 62 VAL N N 62 118.280 118.280 116.304 1.976 19642 10086 1 20 . 1 1 62 62 VAL HA H 62 3.743 3.743 4.003 -0.260 19642 10087 1 20 . 1 1 62 62 VAL C C 62 176.097 176.097 175.443 0.654 19642 10088 1 20 . 1 1 62 62 VAL CA C 62 65.785 65.785 63.878 1.907 19642 10089 1 20 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.247 0.564 19642 10090 1 20 . 1 1 62 62 VAL H H 62 8.184 8.184 7.430 0.754 19642 10091 1 20 . 1 1 63 63 ASP N N 63 118.269 118.269 118.302 -0.033 19642 10092 1 20 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.820 0.372 19642 10093 1 20 . 1 1 63 63 ASP C C 63 176.648 176.648 176.788 -0.140 19642 10094 1 20 . 1 1 63 63 ASP CA C 63 52.639 52.639 53.067 -0.428 19642 10095 1 20 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.978 0.591 19642 10096 1 20 . 1 1 63 63 ASP H H 63 8.708 8.708 7.857 0.851 19642 10097 1 20 . 1 1 64 64 VAL N N 64 121.961 121.961 123.453 -1.492 19642 10098 1 20 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.841 -0.030 19642 10099 1 20 . 1 1 64 64 VAL C C 64 178.439 178.439 176.993 1.446 19642 10100 1 20 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.406 0.413 19642 10101 1 20 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.307 -0.257 19642 10102 1 20 . 1 1 64 64 VAL H H 64 8.609 8.609 8.786 -0.177 19642 10103 1 20 . 1 1 65 65 SER N N 65 115.305 115.305 115.170 0.135 19642 10104 1 20 . 1 1 65 65 SER HA H 65 4.143 4.143 4.159 -0.016 19642 10105 1 20 . 1 1 65 65 SER C C 65 176.285 176.285 175.911 0.374 19642 10106 1 20 . 1 1 65 65 SER CA C 65 60.158 60.158 61.347 -1.189 19642 10107 1 20 . 1 1 65 65 SER CB C 65 62.066 62.066 62.893 -0.827 19642 10108 1 20 . 1 1 65 65 SER H H 65 8.492 8.492 9.029 -0.537 19642 10109 1 20 . 1 1 66 66 SER N N 66 116.053 116.053 116.445 -0.392 19642 10110 1 20 . 1 1 66 66 SER HA H 66 4.024 4.024 4.201 -0.177 19642 10111 1 20 . 1 1 66 66 SER C C 66 174.528 174.528 175.930 -1.402 19642 10112 1 20 . 1 1 66 66 SER CA C 66 60.749 60.749 60.124 0.625 19642 10113 1 20 . 1 1 66 66 SER CB C 66 63.063 63.063 62.792 0.271 19642 10114 1 20 . 1 1 66 66 SER H H 66 7.414 7.414 7.482 -0.068 19642 10115 1 20 . 1 1 67 67 VAL N N 67 119.830 119.830 123.820 -3.990 19642 10116 1 20 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.675 -0.355 19642 10117 1 20 . 1 1 67 67 VAL CA C 67 69.038 69.038 67.530 1.508 19642 10118 1 20 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.068 0.130 19642 10119 1 20 . 1 1 67 67 VAL H H 67 7.611 7.611 8.072 -0.461 19642 10120 1 20 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.225 0.040 19642 10121 1 20 . 1 1 68 68 PRO C C 68 180.457 180.457 179.079 1.378 19642 10122 1 20 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.717 -0.645 19642 10123 1 20 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.311 -0.573 19642 10124 1 20 . 1 1 69 69 LEU N N 69 115.334 115.334 119.443 -4.109 19642 10125 1 20 . 1 1 69 69 LEU HA H 69 4.099 4.099 4.034 0.065 19642 10126 1 20 . 1 1 69 69 LEU C C 69 179.450 179.450 178.826 0.624 19642 10127 1 20 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.170 -0.728 19642 10128 1 20 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.836 -0.714 19642 10129 1 20 . 1 1 69 69 LEU H H 69 6.284 6.284 7.053 -0.769 19642 10130 1 20 . 1 1 70 70 ALA N N 70 122.703 122.703 122.107 0.596 19642 10131 1 20 . 1 1 70 70 ALA HA H 70 4.175 4.175 4.023 0.152 19642 10132 1 20 . 1 1 70 70 ALA C C 70 180.611 180.611 179.946 0.665 19642 10133 1 20 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.926 -0.031 19642 10134 1 20 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.836 1.708 19642 10135 1 20 . 1 1 70 70 ALA H H 70 8.342 8.342 8.240 0.102 19642 10136 1 20 . 1 1 71 71 ILE N N 71 118.692 118.692 118.386 0.306 19642 10137 1 20 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.705 0.560 19642 10138 1 20 . 1 1 71 71 ILE C C 71 179.971 179.971 178.557 1.414 19642 10139 1 20 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.796 0.321 19642 10140 1 20 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.558 1.042 19642 10141 1 20 . 1 1 71 71 ILE H H 71 8.255 8.255 7.703 0.552 19642 10142 1 20 . 1 1 72 72 GLY N N 72 106.417 106.417 106.799 -0.382 19642 10143 1 20 . 1 1 72 72 GLY C C 72 174.590 174.590 175.453 -0.863 19642 10144 1 20 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.847 -0.956 19642 10145 1 20 . 1 1 72 72 GLY H H 72 7.635 7.635 7.897 -0.262 19642 10146 1 20 . 1 1 73 73 LEU N N 73 120.383 120.383 119.749 0.634 19642 10147 1 20 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.554 -0.143 19642 10148 1 20 . 1 1 73 73 LEU C C 73 176.338 176.338 177.877 -1.539 19642 10149 1 20 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.168 0.781 19642 10150 1 20 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.624 -1.031 19642 10151 1 20 . 1 1 73 73 LEU H H 73 7.767 7.767 7.755 0.012 19642 10152 1 20 . 1 1 74 74 THR N N 74 115.157 115.157 116.825 -1.668 19642 10153 1 20 . 1 1 74 74 THR HA H 74 4.060 4.060 4.203 -0.143 19642 10154 1 20 . 1 1 74 74 THR C C 74 175.656 175.656 176.266 -0.610 19642 10155 1 20 . 1 1 74 74 THR CA C 74 66.177 66.177 66.816 -0.639 19642 10156 1 20 . 1 1 74 74 THR CB C 74 69.821 69.821 68.616 1.205 19642 10157 1 20 . 1 1 74 74 THR H H 74 7.731 7.731 7.668 0.063 19642 10158 1 20 . 1 1 75 75 GLY N N 75 117.587 117.587 107.553 10.034 19642 10159 1 20 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.588 0.037 19642 10160 1 20 . 1 1 75 75 GLY H H 75 9.519 9.519 7.682 1.837 19642 10161 1 20 . 1 1 76 76 GLN N N 76 120.027 120.027 118.884 1.143 19642 10162 1 20 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.644 -0.330 19642 10163 1 20 . 1 1 76 76 GLN C C 76 175.015 175.015 173.608 1.407 19642 10164 1 20 . 1 1 76 76 GLN CA C 76 55.819 55.819 53.961 1.859 19642 10165 1 20 . 1 1 76 76 GLN CB C 76 28.220 28.220 32.299 -4.079 19642 10166 1 20 . 1 1 76 76 GLN H H 76 8.319 8.319 7.801 0.518 19642 10167 1 20 . 1 1 77 77 ARG N N 77 118.759 118.759 119.322 -0.563 19642 10168 1 20 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.609 -0.478 19642 10169 1 20 . 1 1 77 77 ARG C C 77 176.209 176.209 174.994 1.215 19642 10170 1 20 . 1 1 77 77 ARG CA C 77 56.091 56.091 54.883 1.208 19642 10171 1 20 . 1 1 77 77 ARG CB C 77 31.364 31.364 32.027 -0.663 19642 10172 1 20 . 1 1 77 77 ARG H H 77 8.544 8.544 8.565 -0.021 19642 10173 1 20 . 1 1 78 78 VAL N N 78 123.886 123.886 125.883 -1.997 19642 10174 1 20 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.817 0.018 19642 10175 1 20 . 1 1 78 78 VAL C C 78 176.570 176.570 175.951 0.619 19642 10176 1 20 . 1 1 78 78 VAL CA C 78 61.470 61.470 61.924 -0.454 19642 10177 1 20 . 1 1 78 78 VAL CB C 78 32.202 32.202 30.179 2.023 19642 10178 1 20 . 1 1 78 78 VAL H H 78 8.015 8.015 8.316 -0.301 19642 10179 1 20 . 1 1 79 79 LEU N N 79 129.331 129.331 129.179 0.152 19642 10180 1 20 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.918 -0.086 19642 10181 1 20 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.338 0.435 19642 10182 1 20 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.269 0.272 19642 10183 1 20 . 1 1 79 79 LEU H H 79 9.570 9.570 8.630 0.940 19642 10184 1 20 . 1 1 80 80 GLY N N 80 100.301 100.301 103.972 -3.671 19642 10185 1 20 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.801 0.428 19642 10186 1 20 . 1 1 80 80 GLY H H 80 8.316 8.316 8.117 0.199 19642 10187 1 20 . 1 1 81 81 VAL N N 81 122.763 122.763 121.654 1.109 19642 10188 1 20 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.722 -0.085 19642 10189 1 20 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.938 0.417 19642 10190 1 20 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.817 3.080 19642 10191 1 20 . 1 1 81 81 VAL H H 81 7.632 7.632 7.808 -0.176 19642 10192 1 20 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.806 -0.474 19642 10193 1 20 . 1 1 82 82 PRO C C 82 175.005 175.005 175.797 -0.792 19642 10194 1 20 . 1 1 82 82 PRO CA C 82 62.503 62.503 62.221 0.282 19642 10195 1 20 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.851 -1.571 19642 10196 1 20 . 1 1 83 83 ILE N N 83 126.022 126.022 117.753 8.269 19642 10197 1 20 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.469 0.157 19642 10198 1 20 . 1 1 83 83 ILE C C 83 175.679 175.679 175.432 0.247 19642 10199 1 20 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.559 2.409 19642 10200 1 20 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.239 -0.326 19642 10201 1 20 . 1 1 83 83 ILE H H 83 8.391 8.391 7.972 0.419 19642 10202 1 20 . 1 1 84 84 ILE N N 84 125.284 125.284 125.283 0.001 19642 10203 1 20 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.446 -0.013 19642 10204 1 20 . 1 1 84 84 ILE C C 84 174.418 174.418 176.274 -1.856 19642 10205 1 20 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.472 1.841 19642 10206 1 20 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.514 1.386 19642 10207 1 20 . 1 1 84 84 ILE H H 84 7.842 7.842 8.719 -0.877 19642 10208 1 20 . 1 1 85 85 VAL N N 85 128.143 128.143 121.335 6.808 19642 10209 1 20 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.944 -0.327 19642 10210 1 20 . 1 1 85 85 VAL CA C 85 64.887 64.887 63.938 0.950 19642 10211 1 20 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.550 2.519 19642 10212 1 20 . 1 1 85 85 VAL H H 85 8.400 8.400 8.500 -0.100 19642 10213 1 20 . 1 1 86 86 GLN N N 86 122.965 122.965 120.469 2.496 19642 10214 1 20 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.186 0.717 19642 10215 1 20 . 1 1 86 86 GLN C C 86 175.590 175.590 176.422 -0.832 19642 10216 1 20 . 1 1 86 86 GLN CA C 86 60.756 60.756 56.729 4.027 19642 10217 1 20 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.788 5.225 19642 10218 1 20 . 1 1 86 86 GLN H H 86 9.242 9.242 8.093 1.149 19642 10219 1 20 . 1 1 87 87 ALA N N 87 123.174 123.174 121.086 2.088 19642 10220 1 20 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.016 0.340 19642 10221 1 20 . 1 1 87 87 ALA C C 87 178.095 178.095 176.527 1.568 19642 10222 1 20 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.700 0.125 19642 10223 1 20 . 1 1 87 87 ALA CB C 87 18.534 18.534 17.411 1.123 19642 10224 1 20 . 1 1 87 87 ALA H H 87 8.907 8.907 8.130 0.777 19642 10225 1 20 . 1 1 88 88 SER N N 88 114.952 114.952 110.900 4.052 19642 10226 1 20 . 1 1 88 88 SER HA H 88 4.294 4.294 4.232 0.062 19642 10227 1 20 . 1 1 88 88 SER C C 88 175.470 175.470 174.518 0.952 19642 10228 1 20 . 1 1 88 88 SER CA C 88 59.617 59.617 59.748 -0.131 19642 10229 1 20 . 1 1 88 88 SER CB C 88 63.409 63.409 62.911 0.498 19642 10230 1 20 . 1 1 88 88 SER H H 88 8.343 8.343 8.817 -0.474 19642 10231 1 20 . 1 1 89 89 GLN N N 89 121.151 121.151 119.225 1.926 19642 10232 1 20 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.327 -0.014 19642 10233 1 20 . 1 1 89 89 GLN C C 89 175.838 175.838 174.940 0.898 19642 10234 1 20 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.715 -1.429 19642 10235 1 20 . 1 1 89 89 GLN CB C 89 29.333 29.333 29.691 -0.358 19642 10236 1 20 . 1 1 89 89 GLN H H 89 8.348 8.348 7.789 0.559 19642 10237 1 20 . 1 1 90 90 ALA N N 90 124.942 124.942 126.554 -1.612 19642 10238 1 20 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.537 -0.334 19642 10239 1 20 . 1 1 90 90 ALA C C 90 178.381 178.381 176.700 1.681 19642 10240 1 20 . 1 1 90 90 ALA CA C 90 52.762 52.762 51.894 0.868 19642 10241 1 20 . 1 1 90 90 ALA CB C 90 19.071 19.071 20.931 -1.860 19642 10242 1 20 . 1 1 90 90 ALA H H 90 8.245 8.245 8.031 0.214 19642 10243 1 20 . 1 1 91 91 GLU N N 91 119.604 119.604 123.723 -4.119 19642 10244 1 20 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.349 -0.196 19642 10245 1 20 . 1 1 91 91 GLU C C 91 176.986 176.986 175.741 1.245 19642 10246 1 20 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.267 0.268 19642 10247 1 20 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.849 1.180 19642 10248 1 20 . 1 1 91 91 GLU H H 91 8.414 8.414 8.741 -0.327 19642 10249 1 20 . 1 1 92 92 LYS N N 92 121.284 121.284 120.192 1.092 19642 10250 1 20 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.526 -0.236 19642 10251 1 20 . 1 1 92 92 LYS C C 92 176.699 176.699 175.659 1.040 19642 10252 1 20 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.565 0.477 19642 10253 1 20 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.633 -0.928 19642 10254 1 20 . 1 1 92 92 LYS H H 92 8.212 8.212 7.911 0.301 19642 10255 1 20 . 1 1 93 93 ASN N N 93 119.221 119.221 118.658 0.563 19642 10256 1 20 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.560 0.140 19642 10257 1 20 . 1 1 93 93 ASN C C 93 174.424 174.424 174.746 -0.322 19642 10258 1 20 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.471 -0.361 19642 10259 1 20 . 1 1 93 93 ASN CB C 93 38.726 38.726 37.903 0.823 19642 10260 1 20 . 1 1 93 93 ASN H H 93 8.370 8.370 8.547 -0.177 19642 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 86 3.111 -0.004 3.129 19642 2 1 1 "Average Difference" HA 87 0.301 -0.035 0.301 19642 3 1 1 "Average Difference" C 75 1.161 -0.274 1.136 19642 4 1 1 "Average Difference" CA 92 1.102 0.037 1.108 19642 5 1 1 "Average Difference" CB 87 1.403 -0.243 1.390 19642 6 1 1 "Average Difference" HN 86 0.502 -0.198 0.464 19642 7 1 2 "Average Difference" N 86 3.096 0.030 3.114 19642 8 1 2 "Average Difference" HA 87 0.322 -0.036 0.322 19642 9 1 2 "Average Difference" C 75 1.187 -0.425 1.116 19642 10 1 2 "Average Difference" CA 92 1.189 0.053 1.194 19642 11 1 2 "Average Difference" CB 87 1.373 -0.145 1.374 19642 12 1 2 "Average Difference" HN 86 0.545 -0.164 0.522 19642 13 1 3 "Average Difference" N 86 3.488 0.096 3.507 19642 14 1 3 "Average Difference" HA 87 0.295 -0.032 0.295 19642 15 1 3 "Average Difference" C 75 1.237 -0.333 1.199 19642 16 1 3 "Average Difference" CA 92 1.295 0.019 1.302 19642 17 1 3 "Average Difference" CB 87 1.407 -0.162 1.406 19642 18 1 3 "Average Difference" HN 86 0.601 -0.215 0.564 19642 19 1 4 "Average Difference" N 86 3.412 -0.176 3.427 19642 20 1 4 "Average Difference" HA 87 0.319 -0.073 0.312 19642 21 1 4 "Average Difference" C 75 1.291 -0.419 1.230 19642 22 1 4 "Average Difference" CA 92 1.211 0.096 1.214 19642 23 1 4 "Average Difference" CB 87 1.559 -0.300 1.539 19642 24 1 4 "Average Difference" HN 86 0.589 -0.199 0.558 19642 25 1 5 "Average Difference" N 86 3.284 -0.072 3.303 19642 26 1 5 "Average Difference" HA 87 0.317 -0.027 0.317 19642 27 1 5 "Average Difference" C 75 1.262 -0.432 1.193 19642 28 1 5 "Average Difference" CA 92 1.201 0.009 1.208 19642 29 1 5 "Average Difference" CB 87 1.534 -0.215 1.527 19642 30 1 5 "Average Difference" HN 86 0.526 -0.155 0.506 19642 31 1 6 "Average Difference" N 86 3.452 -0.226 3.464 19642 32 1 6 "Average Difference" HA 87 0.312 -0.017 0.313 19642 33 1 6 "Average Difference" C 75 1.255 -0.489 1.163 19642 34 1 6 "Average Difference" CA 92 1.164 0.010 1.171 19642 35 1 6 "Average Difference" CB 87 1.415 -0.035 1.423 19642 36 1 6 "Average Difference" HN 86 0.530 -0.165 0.507 19642 37 1 7 "Average Difference" N 86 3.494 -0.080 3.514 19642 38 1 7 "Average Difference" HA 87 0.300 -0.026 0.300 19642 39 1 7 "Average Difference" C 75 1.216 -0.441 1.141 19642 40 1 7 "Average Difference" CA 92 1.113 0.054 1.118 19642 41 1 7 "Average Difference" CB 87 1.582 -0.057 1.590 19642 42 1 7 "Average Difference" HN 86 0.618 -0.168 0.598 19642 43 1 8 "Average Difference" N 86 3.255 -0.516 3.232 19642 44 1 8 "Average Difference" HA 87 0.314 -0.019 0.315 19642 45 1 8 "Average Difference" C 75 1.293 -0.399 1.238 19642 46 1 8 "Average Difference" CA 92 1.293 -0.100 1.296 19642 47 1 8 "Average Difference" CB 87 1.438 -0.122 1.441 19642 48 1 8 "Average Difference" HN 86 0.508 -0.138 0.492 19642 49 1 9 "Average Difference" N 86 3.335 -0.241 3.346 19642 50 1 9 "Average Difference" HA 87 0.340 -0.047 0.339 19642 51 1 9 "Average Difference" C 75 1.311 -0.410 1.253 19642 52 1 9 "Average Difference" CA 92 1.232 0.003 1.238 19642 53 1 9 "Average Difference" CB 87 1.446 -0.271 1.429 19642 54 1 9 "Average Difference" HN 86 0.574 -0.204 0.539 19642 55 1 10 "Average Difference" N 86 3.416 -0.219 3.429 19642 56 1 10 "Average Difference" HA 87 0.333 -0.071 0.328 19642 57 1 10 "Average Difference" C 75 1.291 -0.412 1.231 19642 58 1 10 "Average Difference" CA 92 1.273 0.078 1.278 19642 59 1 10 "Average Difference" CB 87 1.431 -0.275 1.413 19642 60 1 10 "Average Difference" HN 86 0.538 -0.201 0.502 19642 61 1 11 "Average Difference" N 86 3.621 -0.135 3.640 19642 62 1 11 "Average Difference" HA 87 0.306 -0.021 0.307 19642 63 1 11 "Average Difference" C 75 1.302 -0.552 1.187 19642 64 1 11 "Average Difference" CA 92 1.180 -0.100 1.182 19642 65 1 11 "Average Difference" CB 87 1.427 -0.020 1.435 19642 66 1 11 "Average Difference" HN 86 0.559 -0.126 0.548 19642 67 1 12 "Average Difference" N 86 3.347 -0.373 3.346 19642 68 1 12 "Average Difference" HA 87 0.325 -0.053 0.323 19642 69 1 12 "Average Difference" C 75 1.229 -0.321 1.194 19642 70 1 12 "Average Difference" CA 92 1.214 0.060 1.219 19642 71 1 12 "Average Difference" CB 87 1.344 -0.098 1.349 19642 72 1 12 "Average Difference" HN 86 0.529 -0.185 0.499 19642 73 1 13 "Average Difference" N 86 3.271 -0.116 3.288 19642 74 1 13 "Average Difference" HA 87 0.302 -0.051 0.300 19642 75 1 13 "Average Difference" C 75 1.229 -0.473 1.141 19642 76 1 13 "Average Difference" CA 92 1.220 0.024 1.226 19642 77 1 13 "Average Difference" CB 87 1.453 -0.165 1.452 19642 78 1 13 "Average Difference" HN 86 0.548 -0.152 0.530 19642 79 1 14 "Average Difference" N 86 3.242 -0.401 3.236 19642 80 1 14 "Average Difference" HA 87 0.302 -0.016 0.303 19642 81 1 14 "Average Difference" C 75 1.359 -0.513 1.267 19642 82 1 14 "Average Difference" CA 92 1.342 -0.094 1.346 19642 83 1 14 "Average Difference" CB 87 1.471 -0.127 1.474 19642 84 1 14 "Average Difference" HN 86 0.557 -0.136 0.543 19642 85 1 15 "Average Difference" N 86 3.209 -0.353 3.208 19642 86 1 15 "Average Difference" HA 87 0.319 -0.014 0.321 19642 87 1 15 "Average Difference" C 75 1.152 -0.469 1.059 19642 88 1 15 "Average Difference" CA 92 1.252 -0.084 1.256 19642 89 1 15 "Average Difference" CB 87 1.424 -0.072 1.430 19642 90 1 15 "Average Difference" HN 86 0.589 -0.167 0.568 19642 91 1 16 "Average Difference" N 86 3.418 -0.176 3.433 19642 92 1 16 "Average Difference" HA 87 0.351 -0.028 0.352 19642 93 1 16 "Average Difference" C 75 1.333 -0.465 1.257 19642 94 1 16 "Average Difference" CA 92 1.377 -0.157 1.376 19642 95 1 16 "Average Difference" CB 87 1.530 -0.092 1.536 19642 96 1 16 "Average Difference" HN 86 0.552 -0.183 0.524 19642 97 1 17 "Average Difference" N 86 3.301 -0.108 3.319 19642 98 1 17 "Average Difference" HA 87 0.295 -0.051 0.292 19642 99 1 17 "Average Difference" C 75 1.138 -0.433 1.060 19642 100 1 17 "Average Difference" CA 92 1.108 -0.040 1.113 19642 101 1 17 "Average Difference" CB 87 1.228 -0.160 1.224 19642 102 1 17 "Average Difference" HN 86 0.532 -0.165 0.509 19642 103 1 18 "Average Difference" N 86 3.441 -0.298 3.448 19642 104 1 18 "Average Difference" HA 87 0.313 -0.021 0.314 19642 105 1 18 "Average Difference" C 75 1.244 -0.513 1.141 19642 106 1 18 "Average Difference" CA 92 1.311 0.028 1.318 19642 107 1 18 "Average Difference" CB 87 1.388 0.015 1.396 19642 108 1 18 "Average Difference" HN 86 0.571 -0.166 0.549 19642 109 1 19 "Average Difference" N 86 3.521 0.222 3.535 19642 110 1 19 "Average Difference" HA 87 0.301 -0.035 0.301 19642 111 1 19 "Average Difference" C 75 1.264 -0.469 1.182 19642 112 1 19 "Average Difference" CA 92 1.216 -0.118 1.217 19642 113 1 19 "Average Difference" CB 87 1.362 -0.231 1.350 19642 114 1 19 "Average Difference" HN 86 0.550 -0.198 0.516 19642 115 1 20 "Average Difference" N 86 3.103 0.238 3.112 19642 116 1 20 "Average Difference" HA 87 0.292 0.006 0.293 19642 117 1 20 "Average Difference" C 75 1.207 -0.474 1.117 19642 118 1 20 "Average Difference" CA 92 1.177 -0.126 1.177 19642 119 1 20 "Average Difference" CB 87 1.501 -0.062 1.509 19642 120 1 20 "Average Difference" HN 86 0.543 -0.140 0.527 19642 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 19642 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 HIS HA H 2 4.693 4.693 4.579 0.114 19642 2 1 . 1 1 2 2 HIS C C 2 175.244 175.244 174.610 0.634 19642 3 1 . 1 1 2 2 HIS CA C 2 55.849 55.849 56.279 -0.430 19642 4 1 . 1 1 2 2 HIS CB C 2 30.165 30.165 29.909 0.256 19642 5 1 . 1 1 3 3 MET HA H 3 4.464 4.464 4.408 0.056 19642 6 1 . 1 1 3 3 MET C C 3 175.896 175.896 175.410 0.486 19642 7 1 . 1 1 3 3 MET CA C 3 55.188 55.188 55.627 -0.439 19642 8 1 . 1 1 3 3 MET CB C 3 32.736 32.736 33.037 -0.301 19642 9 1 . 1 1 4 4 ASN N N 4 120.610 120.610 119.364 1.246 19642 10 1 . 1 1 4 4 ASN HA H 4 4.752 4.752 4.765 -0.013 19642 11 1 . 1 1 4 4 ASN C C 4 175.033 175.033 174.159 0.874 19642 12 1 . 1 1 4 4 ASN CA C 4 52.728 52.728 53.090 -0.361 19642 13 1 . 1 1 4 4 ASN CB C 4 38.604 38.604 39.447 -0.843 19642 14 1 . 1 1 4 4 ASN H H 4 8.564 8.564 8.255 0.309 19642 15 1 . 1 1 5 5 LEU N N 5 122.314 122.314 122.304 0.010 19642 16 1 . 1 1 5 5 LEU HA H 5 4.610 4.610 4.487 0.123 19642 17 1 . 1 1 5 5 LEU C C 5 178.178 178.178 176.797 1.381 19642 18 1 . 1 1 5 5 LEU CA C 5 54.305 54.305 54.875 -0.570 19642 19 1 . 1 1 5 5 LEU CB C 5 43.343 43.343 42.885 0.458 19642 20 1 . 1 1 5 5 LEU H H 5 8.046 8.046 8.340 -0.294 19642 21 1 . 1 1 6 6 THR N N 6 115.483 115.483 117.238 -1.755 19642 22 1 . 1 1 6 6 THR HA H 6 4.626 4.626 4.619 0.007 19642 23 1 . 1 1 6 6 THR CA C 6 60.039 60.039 59.620 0.419 19642 24 1 . 1 1 6 6 THR CB C 6 68.119 68.119 69.524 -1.405 19642 25 1 . 1 1 6 6 THR H H 6 8.948 8.948 8.261 0.687 19642 26 1 . 1 1 7 7 PRO HA H 7 4.143 4.143 4.273 -0.130 19642 27 1 . 1 1 7 7 PRO CA C 7 65.573 65.573 65.165 0.408 19642 28 1 . 1 1 7 7 PRO CB C 7 31.640 31.640 31.920 -0.280 19642 29 1 . 1 1 8 8 GLU N N 8 116.691 116.691 118.096 -1.405 19642 30 1 . 1 1 8 8 GLU HA H 8 4.111 4.111 4.131 -0.020 19642 31 1 . 1 1 8 8 GLU CA C 8 59.572 59.572 59.038 0.534 19642 32 1 . 1 1 8 8 GLU CB C 8 28.889 28.889 29.308 -0.419 19642 33 1 . 1 1 8 8 GLU H H 8 8.753 8.753 8.333 0.420 19642 34 1 . 1 1 9 9 GLU N N 9 121.235 121.235 119.425 1.810 19642 35 1 . 1 1 9 9 GLU HA H 9 4.041 4.041 4.007 0.034 19642 36 1 . 1 1 9 9 GLU C C 9 180.194 180.194 178.582 1.612 19642 37 1 . 1 1 9 9 GLU CA C 9 58.527 58.527 59.405 -0.878 19642 38 1 . 1 1 9 9 GLU CB C 9 30.566 30.566 29.449 1.117 19642 39 1 . 1 1 9 9 GLU H H 9 7.823 7.823 8.085 -0.262 19642 40 1 . 1 1 10 10 ARG N N 10 120.373 120.373 117.320 3.053 19642 41 1 . 1 1 10 10 ARG HA H 10 3.887 3.887 4.104 -0.217 19642 42 1 . 1 1 10 10 ARG C C 10 180.714 180.714 177.989 2.725 19642 43 1 . 1 1 10 10 ARG CA C 10 59.785 59.785 58.793 0.992 19642 44 1 . 1 1 10 10 ARG CB C 10 29.871 29.871 30.191 -0.320 19642 45 1 . 1 1 10 10 ARG H H 10 8.363 8.363 7.713 0.650 19642 46 1 . 1 1 11 11 ASP N N 11 123.103 123.103 119.135 3.968 19642 47 1 . 1 1 11 11 ASP HA H 11 4.314 4.314 4.578 -0.264 19642 48 1 . 1 1 11 11 ASP C C 11 179.081 179.081 177.160 1.921 19642 49 1 . 1 1 11 11 ASP CA C 11 57.683 57.683 56.205 1.478 19642 50 1 . 1 1 11 11 ASP CB C 11 40.022 40.022 41.261 -1.239 19642 51 1 . 1 1 11 11 ASP H H 11 8.709 8.709 7.799 0.910 19642 52 1 . 1 1 12 12 ALA N N 12 119.926 119.926 121.411 -1.485 19642 53 1 . 1 1 12 12 ALA HA H 12 4.243 4.243 4.246 -0.003 19642 54 1 . 1 1 12 12 ALA C C 12 177.593 177.593 178.106 -0.513 19642 55 1 . 1 1 12 12 ALA CA C 12 53.808 53.808 53.344 0.464 19642 56 1 . 1 1 12 12 ALA CB C 12 18.341 18.341 19.039 -0.698 19642 57 1 . 1 1 12 12 ALA H H 12 7.615 7.615 7.827 -0.212 19642 58 1 . 1 1 13 13 ARG N N 13 113.504 113.504 116.494 -2.990 19642 59 1 . 1 1 13 13 ARG HA H 13 4.427 4.427 4.076 0.351 19642 60 1 . 1 1 13 13 ARG C C 13 174.905 174.905 175.560 -0.655 19642 61 1 . 1 1 13 13 ARG CA C 13 55.588 55.588 57.140 -1.552 19642 62 1 . 1 1 13 13 ARG CB C 13 30.789 30.789 29.194 1.595 19642 63 1 . 1 1 13 13 ARG H H 13 7.204 7.204 7.851 -0.646 19642 64 1 . 1 1 14 14 THR N N 14 117.103 117.103 113.557 3.546 19642 65 1 . 1 1 14 14 THR HA H 14 5.589 5.589 5.006 0.583 19642 66 1 . 1 1 14 14 THR C C 14 174.610 174.610 174.258 0.352 19642 67 1 . 1 1 14 14 THR CA C 14 61.993 61.993 62.208 -0.215 19642 68 1 . 1 1 14 14 THR CB C 14 70.185 70.185 71.038 -0.853 19642 69 1 . 1 1 14 14 THR H H 14 7.685 7.685 7.691 -0.006 19642 70 1 . 1 1 15 15 VAL N N 15 117.127 117.127 119.406 -2.279 19642 71 1 . 1 1 15 15 VAL HA H 15 5.080 5.080 4.604 0.476 19642 72 1 . 1 1 15 15 VAL C C 15 173.786 173.786 174.170 -0.384 19642 73 1 . 1 1 15 15 VAL CA C 15 58.585 58.585 59.958 -1.373 19642 74 1 . 1 1 15 15 VAL CB C 15 33.823 33.823 33.882 -0.059 19642 75 1 . 1 1 15 15 VAL H H 15 9.154 9.154 8.835 0.319 19642 76 1 . 1 1 16 16 PHE N N 16 122.697 122.697 125.602 -2.905 19642 77 1 . 1 1 16 16 PHE HA H 16 5.183 5.183 4.926 0.256 19642 78 1 . 1 1 16 16 PHE C C 16 174.520 174.520 174.941 -0.421 19642 79 1 . 1 1 16 16 PHE CA C 16 54.981 54.981 55.895 -0.914 19642 80 1 . 1 1 16 16 PHE CB C 16 42.266 42.266 39.816 2.450 19642 81 1 . 1 1 16 16 PHE H H 16 9.359 9.359 8.648 0.711 19642 82 1 . 1 1 17 17 CYS N N 17 122.356 122.356 127.619 -5.263 19642 83 1 . 1 1 17 17 CYS HA H 17 5.567 5.567 4.483 1.084 19642 84 1 . 1 1 17 17 CYS C C 17 173.018 173.018 173.482 -0.464 19642 85 1 . 1 1 17 17 CYS CA C 17 55.708 55.708 58.065 -2.357 19642 86 1 . 1 1 17 17 CYS CB C 17 30.776 30.776 28.957 1.819 19642 87 1 . 1 1 17 17 CYS H H 17 8.931 8.931 8.909 0.022 19642 88 1 . 1 1 18 18 MET N N 18 117.884 117.884 122.997 -5.113 19642 89 1 . 1 1 18 18 MET HA H 18 4.846 4.846 4.460 0.386 19642 90 1 . 1 1 18 18 MET C C 18 173.706 173.706 175.101 -1.395 19642 91 1 . 1 1 18 18 MET CA C 18 53.623 53.623 55.150 -1.527 19642 92 1 . 1 1 18 18 MET CB C 18 31.772 31.772 32.960 -1.188 19642 93 1 . 1 1 18 18 MET H H 18 8.818 8.818 8.351 0.467 19642 94 1 . 1 1 19 19 GLN N N 19 115.022 115.022 118.626 -3.604 19642 95 1 . 1 1 19 19 GLN HA H 19 3.698 3.698 4.309 -0.611 19642 96 1 . 1 1 19 19 GLN C C 19 173.403 173.403 174.133 -0.730 19642 97 1 . 1 1 19 19 GLN CA C 19 57.009 57.009 55.106 1.903 19642 98 1 . 1 1 19 19 GLN CB C 19 27.922 27.922 29.638 -1.716 19642 99 1 . 1 1 19 19 GLN H H 19 8.463 8.463 8.001 0.462 19642 100 1 . 1 1 20 20 LEU N N 20 116.032 116.032 120.355 -4.323 19642 101 1 . 1 1 20 20 LEU HA H 20 4.254 4.254 4.299 -0.045 19642 102 1 . 1 1 20 20 LEU C C 20 177.827 177.827 176.936 0.891 19642 103 1 . 1 1 20 20 LEU CA C 20 52.595 52.595 54.672 -2.077 19642 104 1 . 1 1 20 20 LEU CB C 20 43.258 43.258 42.730 0.527 19642 105 1 . 1 1 20 20 LEU H H 20 7.685 7.685 7.476 0.209 19642 106 1 . 1 1 21 21 ALA N N 21 125.644 125.644 122.884 2.760 19642 107 1 . 1 1 21 21 ALA HA H 21 4.145 4.145 4.359 -0.214 19642 108 1 . 1 1 21 21 ALA C C 21 178.868 178.868 177.752 1.116 19642 109 1 . 1 1 21 21 ALA CA C 21 51.661 51.661 51.871 -0.210 19642 110 1 . 1 1 21 21 ALA CB C 21 19.354 19.354 20.081 -0.727 19642 111 1 . 1 1 21 21 ALA H H 21 9.473 9.473 8.221 1.253 19642 112 1 . 1 1 22 22 ALA N N 22 124.495 124.495 122.683 1.812 19642 113 1 . 1 1 22 22 ALA HA H 22 4.109 4.109 4.241 -0.132 19642 114 1 . 1 1 22 22 ALA C C 22 179.705 179.705 177.998 1.707 19642 115 1 . 1 1 22 22 ALA CA C 22 54.560 54.560 53.588 0.972 19642 116 1 . 1 1 22 22 ALA CB C 22 18.358 18.358 18.701 -0.343 19642 117 1 . 1 1 22 22 ALA H H 22 8.583 8.583 8.512 0.071 19642 118 1 . 1 1 23 23 ARG N N 23 111.716 111.716 117.726 -6.010 19642 119 1 . 1 1 23 23 ARG HA H 23 4.368 4.368 4.517 -0.149 19642 120 1 . 1 1 23 23 ARG C C 23 176.243 176.243 175.262 0.981 19642 121 1 . 1 1 23 23 ARG CA C 23 55.136 55.136 55.144 -0.008 19642 122 1 . 1 1 23 23 ARG CB C 23 29.161 29.161 29.943 -0.782 19642 123 1 . 1 1 23 23 ARG H H 23 7.905 7.905 7.970 -0.065 19642 124 1 . 1 1 24 24 ILE N N 24 121.734 121.734 121.490 0.244 19642 125 1 . 1 1 24 24 ILE HA H 24 3.892 3.892 4.061 -0.169 19642 126 1 . 1 1 24 24 ILE C C 24 173.297 173.297 175.648 -2.351 19642 127 1 . 1 1 24 24 ILE CA C 24 61.336 61.336 61.264 0.072 19642 128 1 . 1 1 24 24 ILE CB C 24 38.751 38.751 39.319 -0.568 19642 129 1 . 1 1 24 24 ILE H H 24 7.270 7.270 7.758 -0.488 19642 130 1 . 1 1 25 25 ARG N N 25 125.810 125.810 126.884 -1.074 19642 131 1 . 1 1 25 25 ARG HA H 25 4.955 4.955 4.668 0.287 19642 132 1 . 1 1 25 25 ARG CA C 25 52.417 52.417 53.813 -1.396 19642 133 1 . 1 1 25 25 ARG CB C 25 30.964 30.964 30.621 0.343 19642 134 1 . 1 1 25 25 ARG H H 25 8.994 8.994 8.459 0.535 19642 135 1 . 1 1 26 26 PRO HA H 26 4.060 4.060 4.290 -0.230 19642 136 1 . 1 1 26 26 PRO CA C 26 66.672 66.672 65.420 1.252 19642 137 1 . 1 1 26 26 PRO CB C 26 31.460 31.460 32.109 -0.649 19642 138 1 . 1 1 27 27 ARG N N 27 114.118 114.118 117.918 -3.800 19642 139 1 . 1 1 27 27 ARG HA H 27 4.240 4.240 4.232 0.008 19642 140 1 . 1 1 27 27 ARG C C 27 178.376 178.376 177.466 0.910 19642 141 1 . 1 1 27 27 ARG CA C 27 58.115 58.115 58.844 -0.729 19642 142 1 . 1 1 27 27 ARG CB C 27 29.541 29.541 29.822 -0.281 19642 143 1 . 1 1 27 27 ARG H H 27 8.362 8.362 8.408 -0.046 19642 144 1 . 1 1 28 28 ASP N N 28 116.954 116.954 120.200 -3.246 19642 145 1 . 1 1 28 28 ASP HA H 28 4.461 4.461 4.418 0.043 19642 146 1 . 1 1 28 28 ASP C C 28 180.328 180.328 178.281 2.047 19642 147 1 . 1 1 28 28 ASP CA C 28 57.527 57.527 57.269 0.258 19642 148 1 . 1 1 28 28 ASP CB C 28 41.564 41.564 40.375 1.189 19642 149 1 . 1 1 28 28 ASP H H 28 7.688 7.688 7.856 -0.168 19642 150 1 . 1 1 29 29 LEU N N 29 117.931 117.931 117.851 0.080 19642 151 1 . 1 1 29 29 LEU HA H 29 4.317 4.317 4.113 0.204 19642 152 1 . 1 1 29 29 LEU C C 29 178.541 178.541 178.514 0.027 19642 153 1 . 1 1 29 29 LEU CA C 29 56.849 56.849 57.029 -0.180 19642 154 1 . 1 1 29 29 LEU CB C 29 41.772 41.772 41.352 0.420 19642 155 1 . 1 1 29 29 LEU H H 29 7.173 7.173 7.663 -0.490 19642 156 1 . 1 1 30 30 GLU N N 30 121.321 121.321 118.789 2.532 19642 157 1 . 1 1 30 30 GLU HA H 30 3.788 3.788 4.152 -0.364 19642 158 1 . 1 1 30 30 GLU C C 30 179.497 179.497 178.545 0.952 19642 159 1 . 1 1 30 30 GLU CA C 30 60.299 60.299 59.068 1.231 19642 160 1 . 1 1 30 30 GLU CB C 30 29.672 29.672 29.353 0.319 19642 161 1 . 1 1 30 30 GLU H H 30 8.632 8.632 7.822 0.810 19642 162 1 . 1 1 31 31 GLU N N 31 118.162 118.162 119.448 -1.286 19642 163 1 . 1 1 31 31 GLU HA H 31 4.067 4.067 4.112 -0.045 19642 164 1 . 1 1 31 31 GLU C C 31 179.635 179.635 178.525 1.110 19642 165 1 . 1 1 31 31 GLU CA C 31 59.357 59.357 58.787 0.570 19642 166 1 . 1 1 31 31 GLU CB C 31 29.496 29.496 29.378 0.118 19642 167 1 . 1 1 31 31 GLU H H 31 8.405 8.405 8.352 0.053 19642 168 1 . 1 1 32 32 PHE N N 32 120.127 120.127 120.050 0.077 19642 169 1 . 1 1 32 32 PHE HA H 32 4.353 4.353 4.117 0.236 19642 170 1 . 1 1 32 32 PHE C C 32 177.183 177.183 176.900 0.283 19642 171 1 . 1 1 32 32 PHE CA C 32 60.941 60.941 60.219 0.723 19642 172 1 . 1 1 32 32 PHE CB C 32 39.922 39.922 38.696 1.226 19642 173 1 . 1 1 32 32 PHE H H 32 7.767 7.767 7.659 0.108 19642 174 1 . 1 1 33 33 PHE N N 33 112.879 112.879 116.012 -3.133 19642 175 1 . 1 1 33 33 PHE HA H 33 4.251 4.251 4.294 -0.043 19642 176 1 . 1 1 33 33 PHE C C 33 177.304 177.304 177.826 -0.522 19642 177 1 . 1 1 33 33 PHE CA C 33 61.179 61.179 58.361 2.818 19642 178 1 . 1 1 33 33 PHE CB C 33 38.580 38.580 38.415 0.165 19642 179 1 . 1 1 33 33 PHE H H 33 8.489 8.489 7.560 0.929 19642 180 1 . 1 1 34 34 SER N N 34 115.870 115.870 115.780 0.090 19642 181 1 . 1 1 34 34 SER HA H 34 5.119 5.119 4.518 0.601 19642 182 1 . 1 1 34 34 SER C C 34 175.464 175.464 176.606 -1.142 19642 183 1 . 1 1 34 34 SER CA C 34 61.268 61.268 60.805 0.463 19642 184 1 . 1 1 34 34 SER CB C 34 62.915 62.915 62.857 0.058 19642 185 1 . 1 1 34 34 SER H H 34 7.997 7.997 8.259 -0.262 19642 186 1 . 1 1 35 35 THR N N 35 110.934 110.934 115.392 -4.458 19642 187 1 . 1 1 35 35 THR HA H 35 4.147 4.147 4.205 -0.058 19642 188 1 . 1 1 35 35 THR C C 35 176.410 176.410 175.381 1.029 19642 189 1 . 1 1 35 35 THR CA C 35 63.756 63.756 64.563 -0.807 19642 190 1 . 1 1 35 35 THR CB C 35 68.802 68.802 69.133 -0.331 19642 191 1 . 1 1 35 35 THR H H 35 7.188 7.188 7.859 -0.671 19642 192 1 . 1 1 36 36 VAL N N 36 111.644 111.644 114.563 -2.919 19642 193 1 . 1 1 36 36 VAL HA H 36 4.623 4.623 4.616 0.006 19642 194 1 . 1 1 36 36 VAL C C 36 176.046 176.046 174.892 1.154 19642 195 1 . 1 1 36 36 VAL CA C 36 60.472 60.472 61.066 -0.594 19642 196 1 . 1 1 36 36 VAL CB C 36 32.425 32.425 33.066 -0.641 19642 197 1 . 1 1 36 36 VAL H H 36 7.665 7.665 7.715 -0.050 19642 198 1 . 1 1 37 37 GLY N N 37 109.343 109.343 109.099 0.244 19642 199 1 . 1 1 37 37 GLY CA C 37 45.269 45.269 45.447 -0.178 19642 200 1 . 1 1 37 37 GLY H H 37 7.640 7.640 7.601 0.039 19642 201 1 . 1 1 38 38 LYS N N 38 117.953 117.953 119.841 -1.888 19642 202 1 . 1 1 38 38 LYS HA H 38 4.539 4.539 4.513 0.026 19642 203 1 . 1 1 38 38 LYS CA C 38 55.724 55.724 55.174 0.550 19642 204 1 . 1 1 38 38 LYS CB C 38 32.875 32.875 34.663 -1.788 19642 205 1 . 1 1 38 38 LYS H H 38 8.246 8.246 8.275 -0.029 19642 206 1 . 1 1 39 39 VAL N N 39 128.639 128.639 122.844 5.795 19642 207 1 . 1 1 39 39 VAL HA H 39 3.685 3.685 3.832 -0.147 19642 208 1 . 1 1 39 39 VAL CA C 39 62.816 62.816 61.534 1.282 19642 209 1 . 1 1 39 39 VAL CB C 39 32.992 32.992 33.403 -0.411 19642 210 1 . 1 1 39 39 VAL H H 39 9.126 9.126 8.287 0.839 19642 211 1 . 1 1 40 40 ARG N N 40 129.292 129.292 127.093 2.199 19642 212 1 . 1 1 40 40 ARG HA H 40 4.279 4.279 4.337 -0.058 19642 213 1 . 1 1 40 40 ARG C C 40 175.643 175.643 175.853 -0.210 19642 214 1 . 1 1 40 40 ARG CA C 40 56.334 56.334 57.128 -0.794 19642 215 1 . 1 1 40 40 ARG CB C 40 31.660 31.660 31.645 0.015 19642 216 1 . 1 1 40 40 ARG H H 40 9.573 9.573 8.866 0.707 19642 217 1 . 1 1 41 41 ASP N N 41 116.255 116.255 115.299 0.956 19642 218 1 . 1 1 41 41 ASP HA H 41 4.840 4.840 4.806 0.034 19642 219 1 . 1 1 41 41 ASP C C 41 173.674 173.674 173.717 -0.043 19642 220 1 . 1 1 41 41 ASP CA C 41 53.705 53.705 53.458 0.247 19642 221 1 . 1 1 41 41 ASP CB C 41 44.903 44.903 44.600 0.303 19642 222 1 . 1 1 41 41 ASP H H 41 7.762 7.762 7.822 -0.060 19642 223 1 . 1 1 42 42 VAL N N 42 122.442 122.442 119.216 3.226 19642 224 1 . 1 1 42 42 VAL HA H 42 4.635 4.635 4.501 0.134 19642 225 1 . 1 1 42 42 VAL C C 42 174.714 174.714 174.997 -0.283 19642 226 1 . 1 1 42 42 VAL CA C 42 61.274 61.274 61.411 -0.137 19642 227 1 . 1 1 42 42 VAL CB C 42 34.832 34.832 33.818 1.014 19642 228 1 . 1 1 42 42 VAL H H 42 7.939 7.939 8.431 -0.492 19642 229 1 . 1 1 43 43 ARG N N 43 126.687 126.687 127.023 -0.336 19642 230 1 . 1 1 43 43 ARG HA H 43 4.765 4.765 4.698 0.067 19642 231 1 . 1 1 43 43 ARG C C 43 175.278 175.278 174.843 0.435 19642 232 1 . 1 1 43 43 ARG CA C 43 54.378 54.378 55.208 -0.830 19642 233 1 . 1 1 43 43 ARG CB C 43 32.434 32.434 31.848 0.586 19642 234 1 . 1 1 43 43 ARG H H 43 9.171 9.171 8.814 0.357 19642 235 1 . 1 1 44 44 MET N N 44 123.092 123.092 121.178 1.914 19642 236 1 . 1 1 44 44 MET HA H 44 4.906 4.906 4.787 0.119 19642 237 1 . 1 1 44 44 MET C C 44 176.360 176.360 175.526 0.834 19642 238 1 . 1 1 44 44 MET CA C 44 53.152 53.152 55.137 -1.985 19642 239 1 . 1 1 44 44 MET CB C 44 32.940 32.940 34.842 -1.902 19642 240 1 . 1 1 44 44 MET H H 44 8.939 8.939 8.425 0.514 19642 241 1 . 1 1 45 45 ILE N N 45 124.146 124.146 123.836 0.310 19642 242 1 . 1 1 45 45 ILE HA H 45 4.460 4.460 4.351 0.109 19642 243 1 . 1 1 45 45 ILE C C 45 175.961 175.961 175.776 0.185 19642 244 1 . 1 1 45 45 ILE CA C 45 59.947 59.947 60.869 -0.922 19642 245 1 . 1 1 45 45 ILE CB C 45 38.193 38.193 37.641 0.552 19642 246 1 . 1 1 45 45 ILE H H 45 8.319 8.319 8.520 -0.201 19642 247 1 . 1 1 46 46 SER N N 46 121.541 121.541 121.076 0.465 19642 248 1 . 1 1 46 46 SER HA H 46 4.709 4.709 4.450 0.259 19642 249 1 . 1 1 46 46 SER C C 46 174.061 174.061 174.230 -0.169 19642 250 1 . 1 1 46 46 SER CA C 46 57.381 57.381 58.752 -1.371 19642 251 1 . 1 1 46 46 SER CB C 46 64.273 64.273 63.148 1.125 19642 252 1 . 1 1 46 46 SER H H 46 8.653 8.653 8.480 0.173 19642 253 1 . 1 1 47 47 ASP N N 47 123.132 123.132 122.819 0.313 19642 254 1 . 1 1 47 47 ASP HA H 47 4.658 4.658 4.613 0.045 19642 255 1 . 1 1 47 47 ASP C C 47 177.203 177.203 175.743 1.460 19642 256 1 . 1 1 47 47 ASP CA C 47 53.662 53.662 54.731 -1.069 19642 257 1 . 1 1 47 47 ASP CB C 47 41.920 41.920 41.199 0.721 19642 258 1 . 1 1 47 47 ASP H H 47 8.598 8.598 8.255 0.343 19642 259 1 . 1 1 48 48 ARG N N 48 122.881 122.881 119.464 3.417 19642 260 1 . 1 1 48 48 ARG HA H 48 4.207 4.207 4.368 -0.161 19642 261 1 . 1 1 48 48 ARG C C 48 177.090 177.090 176.062 1.028 19642 262 1 . 1 1 48 48 ARG CA C 48 57.206 57.206 56.382 0.824 19642 263 1 . 1 1 48 48 ARG CB C 48 29.775 29.775 31.171 -1.396 19642 264 1 . 1 1 48 48 ARG H H 48 8.648 8.648 8.267 0.381 19642 265 1 . 1 1 49 49 ASN N N 49 117.245 117.245 117.323 -0.078 19642 266 1 . 1 1 49 49 ASN HA H 49 4.746 4.746 4.630 0.116 19642 267 1 . 1 1 49 49 ASN C C 49 175.822 175.822 175.188 0.634 19642 268 1 . 1 1 49 49 ASN CA C 49 53.592 53.592 54.165 -0.573 19642 269 1 . 1 1 49 49 ASN CB C 49 38.910 38.910 38.593 0.316 19642 270 1 . 1 1 49 49 ASN H H 49 8.502 8.502 8.500 0.002 19642 271 1 . 1 1 50 50 SER N N 50 114.891 114.891 114.736 0.155 19642 272 1 . 1 1 50 50 SER HA H 50 4.429 4.429 4.396 0.033 19642 273 1 . 1 1 50 50 SER C C 50 175.339 175.339 173.861 1.478 19642 274 1 . 1 1 50 50 SER CA C 50 58.396 58.396 59.233 -0.837 19642 275 1 . 1 1 50 50 SER CB C 50 63.681 63.681 63.802 -0.121 19642 276 1 . 1 1 50 50 SER H H 50 8.158 8.158 8.239 -0.081 19642 277 1 . 1 1 51 51 ARG N N 51 120.957 120.957 119.780 1.177 19642 278 1 . 1 1 51 51 ARG HA H 51 4.289 4.289 4.497 -0.208 19642 279 1 . 1 1 51 51 ARG C C 51 176.845 176.845 175.377 1.468 19642 280 1 . 1 1 51 51 ARG CA C 51 56.672 56.672 56.177 0.495 19642 281 1 . 1 1 51 51 ARG CB C 51 29.620 29.620 31.190 -1.570 19642 282 1 . 1 1 51 51 ARG H H 51 8.451 8.451 8.243 0.208 19642 283 1 . 1 1 52 52 ARG N N 52 119.405 119.405 120.117 -0.712 19642 284 1 . 1 1 52 52 ARG HA H 52 4.420 4.420 4.423 -0.003 19642 285 1 . 1 1 52 52 ARG CA C 52 55.765 55.765 56.177 -0.412 19642 286 1 . 1 1 52 52 ARG CB C 52 30.875 30.875 30.572 0.303 19642 287 1 . 1 1 52 52 ARG H H 52 8.159 8.159 8.452 -0.293 19642 288 1 . 1 1 53 53 SER N N 53 116.328 116.328 115.622 0.706 19642 289 1 . 1 1 53 53 SER HA H 53 4.492 4.492 4.338 0.154 19642 290 1 . 1 1 53 53 SER CA C 53 58.142 58.142 59.132 -0.990 19642 291 1 . 1 1 53 53 SER CB C 53 63.447 63.447 63.024 0.423 19642 292 1 . 1 1 53 53 SER H H 53 8.370 8.370 8.580 -0.210 19642 293 1 . 1 1 54 54 LYS N N 54 122.099 122.099 118.078 4.021 19642 294 1 . 1 1 54 54 LYS HA H 54 4.499 4.499 4.082 0.417 19642 295 1 . 1 1 54 54 LYS CA C 54 55.563 55.563 57.040 -1.477 19642 296 1 . 1 1 54 54 LYS CB C 54 33.079 33.079 30.984 2.095 19642 297 1 . 1 1 54 54 LYS H H 54 8.374 8.374 8.112 0.262 19642 298 1 . 1 1 55 55 GLY N N 55 109.513 109.513 106.172 3.341 19642 299 1 . 1 1 55 55 GLY C C 55 172.962 172.962 172.529 0.433 19642 300 1 . 1 1 55 55 GLY CA C 55 45.894 45.894 44.870 1.024 19642 301 1 . 1 1 55 55 GLY H H 55 8.592 8.592 8.105 0.487 19642 302 1 . 1 1 56 56 ILE N N 56 114.180 114.180 116.778 -2.598 19642 303 1 . 1 1 56 56 ILE HA H 56 5.012 5.012 5.311 -0.299 19642 304 1 . 1 1 56 56 ILE C C 56 175.172 175.172 173.617 1.555 19642 305 1 . 1 1 56 56 ILE CA C 56 58.731 58.731 58.995 -0.264 19642 306 1 . 1 1 56 56 ILE CB C 56 42.162 42.162 41.565 0.597 19642 307 1 . 1 1 56 56 ILE H H 56 7.618 7.618 7.750 -0.132 19642 308 1 . 1 1 57 57 ALA N N 57 121.556 121.556 125.413 -3.857 19642 309 1 . 1 1 57 57 ALA HA H 57 5.120 5.120 5.073 0.047 19642 310 1 . 1 1 57 57 ALA C C 57 175.094 175.094 174.949 0.145 19642 311 1 . 1 1 57 57 ALA CA C 57 50.699 50.699 51.271 -0.572 19642 312 1 . 1 1 57 57 ALA CB C 57 24.170 24.170 22.926 1.244 19642 313 1 . 1 1 57 57 ALA H H 57 8.308 8.308 8.368 -0.060 19642 314 1 . 1 1 58 58 TYR N N 58 118.387 118.387 119.065 -0.678 19642 315 1 . 1 1 58 58 TYR HA H 58 5.481 5.481 5.444 0.037 19642 316 1 . 1 1 58 58 TYR C C 58 175.537 175.537 175.124 0.413 19642 317 1 . 1 1 58 58 TYR CA C 58 56.514 56.514 56.619 -0.105 19642 318 1 . 1 1 58 58 TYR CB C 58 40.607 40.607 41.265 -0.658 19642 319 1 . 1 1 58 58 TYR H H 58 8.971 8.971 8.765 0.206 19642 320 1 . 1 1 59 59 VAL N N 59 122.978 122.978 121.888 1.090 19642 321 1 . 1 1 59 59 VAL HA H 59 4.376 4.376 4.503 -0.127 19642 322 1 . 1 1 59 59 VAL C C 59 172.631 172.631 174.950 -2.319 19642 323 1 . 1 1 59 59 VAL CA C 59 61.217 61.217 61.256 -0.039 19642 324 1 . 1 1 59 59 VAL CB C 59 33.575 33.575 33.988 -0.413 19642 325 1 . 1 1 59 59 VAL H H 59 8.828 8.828 8.802 0.026 19642 326 1 . 1 1 60 60 GLU N N 60 128.557 128.557 128.166 0.391 19642 327 1 . 1 1 60 60 GLU HA H 60 4.851 4.851 4.652 0.199 19642 328 1 . 1 1 60 60 GLU C C 60 176.210 176.210 175.545 0.665 19642 329 1 . 1 1 60 60 GLU CA C 60 53.842 53.842 55.428 -1.587 19642 330 1 . 1 1 60 60 GLU CB C 60 33.103 33.103 30.684 2.419 19642 331 1 . 1 1 60 60 GLU H H 60 8.774 8.774 8.793 -0.020 19642 332 1 . 1 1 61 61 PHE N N 61 126.659 126.659 124.251 2.408 19642 333 1 . 1 1 61 61 PHE HA H 61 4.916 4.916 4.449 0.467 19642 334 1 . 1 1 61 61 PHE C C 61 176.011 176.011 176.138 -0.127 19642 335 1 . 1 1 61 61 PHE CA C 61 58.586 58.586 59.188 -0.602 19642 336 1 . 1 1 61 61 PHE CB C 61 41.038 41.038 40.675 0.363 19642 337 1 . 1 1 61 61 PHE H H 61 9.340 9.340 8.526 0.814 19642 338 1 . 1 1 62 62 VAL N N 62 118.280 118.280 118.824 -0.544 19642 339 1 . 1 1 62 62 VAL HA H 62 3.743 3.743 3.975 -0.232 19642 340 1 . 1 1 62 62 VAL C C 62 176.097 176.097 175.537 0.560 19642 341 1 . 1 1 62 62 VAL CA C 62 65.785 65.785 64.008 1.777 19642 342 1 . 1 1 62 62 VAL CB C 62 32.811 32.811 32.231 0.580 19642 343 1 . 1 1 62 62 VAL H H 62 8.184 8.184 8.134 0.050 19642 344 1 . 1 1 63 63 ASP N N 63 118.269 118.269 117.763 0.506 19642 345 1 . 1 1 63 63 ASP HA H 63 5.192 5.192 4.842 0.350 19642 346 1 . 1 1 63 63 ASP C C 63 176.648 176.648 176.169 0.479 19642 347 1 . 1 1 63 63 ASP CA C 63 52.639 52.639 52.938 -0.299 19642 348 1 . 1 1 63 63 ASP CB C 63 44.569 44.569 43.717 0.852 19642 349 1 . 1 1 63 63 ASP H H 63 8.708 8.708 7.891 0.816 19642 350 1 . 1 1 64 64 VAL N N 64 121.961 121.961 122.729 -0.768 19642 351 1 . 1 1 64 64 VAL HA H 64 3.811 3.811 3.895 -0.084 19642 352 1 . 1 1 64 64 VAL C C 64 178.439 178.439 176.962 1.477 19642 353 1 . 1 1 64 64 VAL CA C 64 64.819 64.819 64.553 0.266 19642 354 1 . 1 1 64 64 VAL CB C 64 32.050 32.050 32.337 -0.287 19642 355 1 . 1 1 64 64 VAL H H 64 8.609 8.609 8.599 0.010 19642 356 1 . 1 1 65 65 SER N N 65 115.305 115.305 115.491 -0.186 19642 357 1 . 1 1 65 65 SER HA H 65 4.143 4.143 4.210 -0.067 19642 358 1 . 1 1 65 65 SER C C 65 176.285 176.285 175.608 0.677 19642 359 1 . 1 1 65 65 SER CA C 65 60.158 60.158 60.937 -0.779 19642 360 1 . 1 1 65 65 SER CB C 65 62.066 62.066 62.858 -0.792 19642 361 1 . 1 1 65 65 SER H H 65 8.492 8.492 8.573 -0.081 19642 362 1 . 1 1 66 66 SER N N 66 116.053 116.053 116.428 -0.375 19642 363 1 . 1 1 66 66 SER HA H 66 4.024 4.024 4.205 -0.181 19642 364 1 . 1 1 66 66 SER C C 66 174.528 174.528 175.076 -0.548 19642 365 1 . 1 1 66 66 SER CA C 66 60.749 60.749 59.678 1.071 19642 366 1 . 1 1 66 66 SER CB C 66 63.063 63.063 62.563 0.500 19642 367 1 . 1 1 66 66 SER H H 66 7.414 7.414 7.651 -0.237 19642 368 1 . 1 1 67 67 VAL N N 67 119.830 119.830 122.849 -3.019 19642 369 1 . 1 1 67 67 VAL HA H 67 3.320 3.320 3.590 -0.270 19642 370 1 . 1 1 67 67 VAL CA C 67 69.038 69.038 68.190 0.848 19642 371 1 . 1 1 67 67 VAL CB C 67 29.198 29.198 29.342 -0.145 19642 372 1 . 1 1 67 67 VAL H H 67 7.611 7.611 7.664 -0.053 19642 373 1 . 1 1 68 68 PRO HA H 68 4.265 4.265 4.243 0.022 19642 374 1 . 1 1 68 68 PRO C C 68 180.457 180.457 178.300 2.157 19642 375 1 . 1 1 68 68 PRO CA C 68 65.072 65.072 65.251 -0.179 19642 376 1 . 1 1 68 68 PRO CB C 68 30.738 30.738 31.256 -0.518 19642 377 1 . 1 1 69 69 LEU N N 69 115.334 115.334 120.118 -4.784 19642 378 1 . 1 1 69 69 LEU HA H 69 4.099 4.099 3.993 0.106 19642 379 1 . 1 1 69 69 LEU C C 69 179.450 179.450 178.395 1.055 19642 380 1 . 1 1 69 69 LEU CA C 69 56.442 56.442 57.293 -0.851 19642 381 1 . 1 1 69 69 LEU CB C 69 41.122 41.122 41.609 -0.487 19642 382 1 . 1 1 69 69 LEU H H 69 6.284 6.284 7.310 -1.026 19642 383 1 . 1 1 70 70 ALA N N 70 122.703 122.703 121.304 1.399 19642 384 1 . 1 1 70 70 ALA HA H 70 4.175 4.175 3.993 0.182 19642 385 1 . 1 1 70 70 ALA C C 70 180.611 180.611 180.116 0.495 19642 386 1 . 1 1 70 70 ALA CA C 70 54.895 54.895 54.822 0.073 19642 387 1 . 1 1 70 70 ALA CB C 70 19.544 19.544 17.890 1.654 19642 388 1 . 1 1 70 70 ALA H H 70 8.342 8.342 7.599 0.743 19642 389 1 . 1 1 71 71 ILE N N 71 118.692 118.692 118.440 0.252 19642 390 1 . 1 1 71 71 ILE HA H 71 4.265 4.265 3.702 0.563 19642 391 1 . 1 1 71 71 ILE C C 71 179.971 179.971 178.129 1.842 19642 392 1 . 1 1 71 71 ILE CA C 71 65.117 65.117 64.613 0.504 19642 393 1 . 1 1 71 71 ILE CB C 71 38.600 38.600 37.617 0.983 19642 394 1 . 1 1 71 71 ILE H H 71 8.255 8.255 7.580 0.675 19642 395 1 . 1 1 72 72 GLY N N 72 106.417 106.417 106.403 0.014 19642 396 1 . 1 1 72 72 GLY C C 72 174.590 174.590 175.220 -0.630 19642 397 1 . 1 1 72 72 GLY CA C 72 45.891 45.891 46.557 -0.666 19642 398 1 . 1 1 72 72 GLY H H 72 7.635 7.635 7.903 -0.268 19642 399 1 . 1 1 73 73 LEU N N 73 120.383 120.383 119.680 0.703 19642 400 1 . 1 1 73 73 LEU HA H 73 4.411 4.411 4.635 -0.224 19642 401 1 . 1 1 73 73 LEU C C 73 176.338 176.338 178.081 -1.743 19642 402 1 . 1 1 73 73 LEU CA C 73 54.949 54.949 54.150 0.799 19642 403 1 . 1 1 73 73 LEU CB C 73 40.593 40.593 41.883 -1.290 19642 404 1 . 1 1 73 73 LEU H H 73 7.767 7.767 7.534 0.233 19642 405 1 . 1 1 74 74 THR N N 74 115.157 115.157 116.879 -1.722 19642 406 1 . 1 1 74 74 THR HA H 74 4.060 4.060 4.183 -0.123 19642 407 1 . 1 1 74 74 THR C C 74 175.656 175.656 176.032 -0.376 19642 408 1 . 1 1 74 74 THR CA C 74 66.177 66.177 66.395 -0.218 19642 409 1 . 1 1 74 74 THR CB C 74 69.821 69.821 68.755 1.067 19642 410 1 . 1 1 74 74 THR H H 74 7.731 7.731 7.689 0.042 19642 411 1 . 1 1 75 75 GLY N N 75 117.587 117.587 107.082 10.505 19642 412 1 . 1 1 75 75 GLY CA C 75 44.625 44.625 44.465 0.160 19642 413 1 . 1 1 75 75 GLY H H 75 9.519 9.519 8.297 1.222 19642 414 1 . 1 1 76 76 GLN N N 76 120.027 120.027 119.880 0.147 19642 415 1 . 1 1 76 76 GLN HA H 76 4.314 4.314 4.490 -0.176 19642 416 1 . 1 1 76 76 GLN C C 76 175.015 175.015 174.617 0.398 19642 417 1 . 1 1 76 76 GLN CA C 76 55.819 55.819 55.270 0.549 19642 418 1 . 1 1 76 76 GLN CB C 76 28.220 28.220 30.540 -2.320 19642 419 1 . 1 1 76 76 GLN H H 76 8.319 8.319 7.879 0.440 19642 420 1 . 1 1 77 77 ARG N N 77 118.759 118.759 116.827 1.932 19642 421 1 . 1 1 77 77 ARG HA H 77 4.131 4.131 4.587 -0.456 19642 422 1 . 1 1 77 77 ARG C C 77 176.209 176.209 175.148 1.061 19642 423 1 . 1 1 77 77 ARG CA C 77 56.091 56.091 55.107 0.984 19642 424 1 . 1 1 77 77 ARG CB C 77 31.364 31.364 31.221 0.143 19642 425 1 . 1 1 77 77 ARG H H 77 8.544 8.544 8.503 0.041 19642 426 1 . 1 1 78 78 VAL N N 78 123.886 123.886 124.551 -0.665 19642 427 1 . 1 1 78 78 VAL HA H 78 3.835 3.835 3.882 -0.047 19642 428 1 . 1 1 78 78 VAL C C 78 176.570 176.570 175.868 0.702 19642 429 1 . 1 1 78 78 VAL CA C 78 61.470 61.470 62.603 -1.133 19642 430 1 . 1 1 78 78 VAL CB C 78 32.202 32.202 31.167 1.035 19642 431 1 . 1 1 78 78 VAL H H 78 8.015 8.015 8.003 0.012 19642 432 1 . 1 1 79 79 LEU N N 79 129.331 129.331 127.502 1.829 19642 433 1 . 1 1 79 79 LEU HA H 79 3.832 3.832 3.917 -0.085 19642 434 1 . 1 1 79 79 LEU CA C 79 55.773 55.773 55.407 0.366 19642 435 1 . 1 1 79 79 LEU CB C 79 39.541 39.541 39.541 -0.000 19642 436 1 . 1 1 79 79 LEU H H 79 9.570 9.570 8.787 0.783 19642 437 1 . 1 1 80 80 GLY N N 80 100.301 100.301 103.895 -3.594 19642 438 1 . 1 1 80 80 GLY CA C 80 45.229 45.229 44.802 0.427 19642 439 1 . 1 1 80 80 GLY H H 80 8.316 8.316 7.930 0.386 19642 440 1 . 1 1 81 81 VAL N N 81 122.763 122.763 121.795 0.968 19642 441 1 . 1 1 81 81 VAL HA H 81 4.637 4.637 4.472 0.165 19642 442 1 . 1 1 81 81 VAL CA C 81 59.355 59.355 58.942 0.413 19642 443 1 . 1 1 81 81 VAL CB C 81 34.897 34.897 31.911 2.986 19642 444 1 . 1 1 81 81 VAL H H 81 7.632 7.632 7.745 -0.113 19642 445 1 . 1 1 82 82 PRO HA H 82 4.332 4.332 4.721 -0.389 19642 446 1 . 1 1 82 82 PRO C C 82 175.005 175.005 175.753 -0.748 19642 447 1 . 1 1 82 82 PRO CA C 82 62.503 62.503 61.995 0.508 19642 448 1 . 1 1 82 82 PRO CB C 82 31.280 31.280 32.896 -1.616 19642 449 1 . 1 1 83 83 ILE N N 83 126.022 126.022 117.392 8.630 19642 450 1 . 1 1 83 83 ILE HA H 83 4.626 4.626 4.506 0.120 19642 451 1 . 1 1 83 83 ILE C C 83 175.679 175.679 174.382 1.297 19642 452 1 . 1 1 83 83 ILE CA C 83 60.969 60.969 58.727 2.242 19642 453 1 . 1 1 83 83 ILE CB C 83 40.913 40.913 41.594 -0.681 19642 454 1 . 1 1 83 83 ILE H H 83 8.391 8.391 7.706 0.685 19642 455 1 . 1 1 84 84 ILE N N 84 125.284 125.284 123.513 1.771 19642 456 1 . 1 1 84 84 ILE HA H 84 4.433 4.433 4.417 0.016 19642 457 1 . 1 1 84 84 ILE C C 84 174.418 174.418 177.295 -2.877 19642 458 1 . 1 1 84 84 ILE CA C 84 61.313 61.313 59.139 2.174 19642 459 1 . 1 1 84 84 ILE CB C 84 39.900 39.900 38.561 1.339 19642 460 1 . 1 1 84 84 ILE H H 84 7.842 7.842 8.503 -0.661 19642 461 1 . 1 1 85 85 VAL N N 85 128.143 128.143 123.177 4.966 19642 462 1 . 1 1 85 85 VAL HA H 85 3.617 3.617 3.775 -0.158 19642 463 1 . 1 1 85 85 VAL CA C 85 64.887 64.887 64.347 0.540 19642 464 1 . 1 1 85 85 VAL CB C 85 34.069 34.069 31.798 2.271 19642 465 1 . 1 1 85 85 VAL H H 85 8.400 8.400 8.537 -0.137 19642 466 1 . 1 1 86 86 GLN N N 86 122.965 122.965 118.809 4.156 19642 467 1 . 1 1 86 86 GLN HA H 86 4.903 4.903 4.142 0.761 19642 468 1 . 1 1 86 86 GLN C C 86 175.590 175.590 176.391 -0.801 19642 469 1 . 1 1 86 86 GLN CA C 86 60.756 60.756 57.234 3.522 19642 470 1 . 1 1 86 86 GLN CB C 86 34.013 34.013 28.927 5.086 19642 471 1 . 1 1 86 86 GLN H H 86 9.242 9.242 7.894 1.347 19642 472 1 . 1 1 87 87 ALA N N 87 123.174 123.174 119.719 3.455 19642 473 1 . 1 1 87 87 ALA HA H 87 4.356 4.356 4.075 0.281 19642 474 1 . 1 1 87 87 ALA C C 87 178.095 178.095 176.504 1.591 19642 475 1 . 1 1 87 87 ALA CA C 87 52.825 52.825 52.681 0.144 19642 476 1 . 1 1 87 87 ALA CB C 87 18.534 18.534 18.122 0.412 19642 477 1 . 1 1 87 87 ALA H H 87 8.907 8.907 7.995 0.912 19642 478 1 . 1 1 88 88 SER N N 88 114.952 114.952 115.350 -0.398 19642 479 1 . 1 1 88 88 SER HA H 88 4.294 4.294 4.462 -0.168 19642 480 1 . 1 1 88 88 SER C C 88 175.470 175.470 174.174 1.296 19642 481 1 . 1 1 88 88 SER CA C 88 59.617 59.617 58.872 0.745 19642 482 1 . 1 1 88 88 SER CB C 88 63.409 63.409 63.464 -0.055 19642 483 1 . 1 1 88 88 SER H H 88 8.343 8.343 8.488 -0.145 19642 484 1 . 1 1 89 89 GLN N N 89 121.151 121.151 122.376 -1.225 19642 485 1 . 1 1 89 89 GLN HA H 89 4.313 4.313 4.280 0.033 19642 486 1 . 1 1 89 89 GLN C C 89 175.838 175.838 174.968 0.871 19642 487 1 . 1 1 89 89 GLN CA C 89 55.286 55.286 56.033 -0.747 19642 488 1 . 1 1 89 89 GLN CB C 89 29.333 29.333 29.299 0.035 19642 489 1 . 1 1 89 89 GLN H H 89 8.348 8.348 8.380 -0.032 19642 490 1 . 1 1 90 90 ALA N N 90 124.942 124.942 123.624 1.318 19642 491 1 . 1 1 90 90 ALA HA H 90 4.203 4.203 4.392 -0.189 19642 492 1 . 1 1 90 90 ALA C C 90 178.381 178.381 177.121 1.260 19642 493 1 . 1 1 90 90 ALA CA C 90 52.762 52.762 52.010 0.752 19642 494 1 . 1 1 90 90 ALA CB C 90 19.071 19.071 19.882 -0.811 19642 495 1 . 1 1 90 90 ALA H H 90 8.245 8.245 8.269 -0.024 19642 496 1 . 1 1 91 91 GLU N N 91 119.604 119.604 120.244 -0.640 19642 497 1 . 1 1 91 91 GLU HA H 91 4.153 4.153 4.269 -0.116 19642 498 1 . 1 1 91 91 GLU C C 91 176.986 176.986 175.856 1.130 19642 499 1 . 1 1 91 91 GLU CA C 91 56.535 56.535 56.737 -0.202 19642 500 1 . 1 1 91 91 GLU CB C 91 30.029 30.029 28.977 1.052 19642 501 1 . 1 1 91 91 GLU H H 91 8.414 8.414 8.681 -0.267 19642 502 1 . 1 1 92 92 LYS N N 92 121.284 121.284 119.723 1.562 19642 503 1 . 1 1 92 92 LYS HA H 92 4.290 4.290 4.439 -0.149 19642 504 1 . 1 1 92 92 LYS C C 92 176.699 176.699 175.785 0.914 19642 505 1 . 1 1 92 92 LYS CA C 92 56.042 56.042 55.788 0.254 19642 506 1 . 1 1 92 92 LYS CB C 92 32.705 32.705 33.649 -0.944 19642 507 1 . 1 1 92 92 LYS H H 92 8.212 8.212 7.871 0.341 19642 508 1 . 1 1 93 93 ASN N N 93 119.221 119.221 119.064 0.157 19642 509 1 . 1 1 93 93 ASN HA H 93 4.700 4.700 4.695 0.005 19642 510 1 . 1 1 93 93 ASN C C 93 174.424 174.424 174.472 -0.048 19642 511 1 . 1 1 93 93 ASN CA C 93 53.110 53.110 53.165 -0.055 19642 512 1 . 1 1 93 93 ASN CB C 93 38.726 38.726 38.665 0.061 19642 513 1 . 1 1 93 93 ASN H H 93 8.370 8.370 8.373 -0.003 19642 stop_ save_