data_19783 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19783 _Entry.PDB_ID 2MKL 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 19783 _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 GLY CA C 2 43.533 43.533 44.227 -0.694 19783 2 1 1 . 1 1 3 3 ARG HA H 3 4.368 4.368 3.995 0.373 19783 3 1 1 . 1 1 3 3 ARG CA C 3 56.394 56.394 56.334 0.060 19783 4 1 1 . 1 1 3 3 ARG CB C 3 31.358 31.358 29.913 1.445 19783 5 1 1 . 1 1 4 4 GLN N N 4 122.771 122.771 117.620 5.151 19783 6 1 1 . 1 1 4 4 GLN HA H 4 4.393 4.393 4.247 0.146 19783 7 1 1 . 1 1 4 4 GLN C C 4 175.843 175.843 175.716 0.127 19783 8 1 1 . 1 1 4 4 GLN CA C 4 56.155 56.155 57.419 -1.264 19783 9 1 1 . 1 1 4 4 GLN CB C 4 29.413 29.413 28.977 0.436 19783 10 1 1 . 1 1 4 4 GLN H H 4 8.899 8.899 8.375 0.524 19783 11 1 1 . 1 1 5 5 THR N N 5 115.866 115.866 117.631 -1.765 19783 12 1 1 . 1 1 5 5 THR HA H 5 4.276 4.276 4.497 -0.221 19783 13 1 1 . 1 1 5 5 THR C C 5 173.957 173.957 173.440 0.517 19783 14 1 1 . 1 1 5 5 THR CA C 5 62.295 62.295 61.809 0.486 19783 15 1 1 . 1 1 5 5 THR CB C 5 69.957 69.957 68.638 1.319 19783 16 1 1 . 1 1 5 5 THR H H 5 8.063 8.063 7.916 0.147 19783 17 1 1 . 1 1 6 6 ASP N N 6 124.653 124.653 128.754 -4.101 19783 18 1 1 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.809 -0.059 19783 19 1 1 . 1 1 6 6 ASP C C 6 174.159 174.159 174.161 -0.002 19783 20 1 1 . 1 1 6 6 ASP CA C 6 54.022 54.022 54.372 -0.350 19783 21 1 1 . 1 1 6 6 ASP CB C 6 41.741 41.741 41.921 -0.180 19783 22 1 1 . 1 1 6 6 ASP H H 6 8.499 8.499 8.336 0.163 19783 23 1 1 . 1 1 7 7 ILE N N 7 119.741 119.741 126.284 -6.543 19783 24 1 1 . 1 1 7 7 ILE HA H 7 4.992 4.992 5.173 -0.181 19783 25 1 1 . 1 1 7 7 ILE C C 7 173.334 173.334 174.446 -1.112 19783 26 1 1 . 1 1 7 7 ILE CA C 7 60.213 60.213 59.499 0.714 19783 27 1 1 . 1 1 7 7 ILE CB C 7 40.206 40.206 40.227 -0.021 19783 28 1 1 . 1 1 7 7 ILE H H 7 7.799 7.799 8.173 -0.374 19783 29 1 1 . 1 1 8 8 SER N N 8 121.920 121.920 126.027 -4.107 19783 30 1 1 . 1 1 8 8 SER HA H 8 4.694 4.694 4.847 -0.153 19783 31 1 1 . 1 1 8 8 SER C C 8 172.508 172.508 173.033 -0.525 19783 32 1 1 . 1 1 8 8 SER CA C 8 56.801 56.801 57.213 -0.412 19783 33 1 1 . 1 1 8 8 SER CB C 8 65.356 65.356 64.322 1.034 19783 34 1 1 . 1 1 8 8 SER H H 8 8.850 8.850 8.788 0.062 19783 35 1 1 . 1 1 9 9 VAL N N 9 125.845 125.845 127.859 -2.014 19783 36 1 1 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.594 0.015 19783 37 1 1 . 1 1 9 9 VAL C C 9 174.647 174.647 175.557 -0.910 19783 38 1 1 . 1 1 9 9 VAL CA C 9 61.730 61.730 61.535 0.195 19783 39 1 1 . 1 1 9 9 VAL CB C 9 34.372 34.372 32.620 1.752 19783 40 1 1 . 1 1 9 9 VAL H H 9 8.452 8.452 8.664 -0.212 19783 41 1 1 . 1 1 10 10 SER N N 10 121.312 121.312 125.019 -3.707 19783 42 1 1 . 1 1 10 10 SER HA H 10 4.725 4.725 4.856 -0.131 19783 43 1 1 . 1 1 10 10 SER C C 10 171.784 171.784 172.678 -0.894 19783 44 1 1 . 1 1 10 10 SER CA C 10 57.060 57.060 56.722 0.338 19783 45 1 1 . 1 1 10 10 SER CB C 10 65.764 65.764 64.843 0.922 19783 46 1 1 . 1 1 10 10 SER H H 10 8.624 8.624 9.050 -0.426 19783 47 1 1 . 1 1 11 11 LEU N N 11 124.101 124.101 126.368 -2.267 19783 48 1 1 . 1 1 11 11 LEU HA H 11 5.475 5.475 5.403 0.072 19783 49 1 1 . 1 1 11 11 LEU C C 11 175.894 175.894 176.419 -0.525 19783 50 1 1 . 1 1 11 11 LEU CA C 11 53.556 53.556 53.614 -0.058 19783 51 1 1 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.387 3.018 19783 52 1 1 . 1 1 11 11 LEU H H 11 8.443 8.443 8.670 -0.227 19783 53 1 1 . 1 1 12 12 LEU N N 12 124.363 124.363 126.082 -1.719 19783 54 1 1 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.737 -0.158 19783 55 1 1 . 1 1 12 12 LEU C C 12 175.708 175.708 174.983 0.725 19783 56 1 1 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.414 0.250 19783 57 1 1 . 1 1 12 12 LEU CB C 12 43.727 43.727 44.073 -0.346 19783 58 1 1 . 1 1 12 12 LEU H H 12 8.977 8.977 8.807 0.170 19783 59 1 1 . 1 1 13 13 LYS N N 13 121.228 121.228 126.594 -5.366 19783 60 1 1 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.475 -0.459 19783 61 1 1 . 1 1 13 13 LYS CA C 13 54.332 54.332 53.432 0.900 19783 62 1 1 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.818 -0.031 19783 63 1 1 . 1 1 13 13 LYS H H 13 8.151 8.151 8.306 -0.155 19783 64 1 1 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.108 0.315 19783 65 1 1 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.734 -0.329 19783 66 1 1 . 1 1 15 15 PRO CB C 15 31.948 31.948 31.987 -0.039 19783 67 1 1 . 1 1 16 16 PHE N N 16 123.773 123.773 118.988 4.785 19783 68 1 1 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.904 -0.837 19783 69 1 1 . 1 1 16 16 PHE CA C 16 60.874 60.874 55.771 5.103 19783 70 1 1 . 1 1 16 16 PHE CB C 16 39.063 39.063 40.949 -1.886 19783 71 1 1 . 1 1 16 16 PHE H H 16 8.348 8.348 7.717 0.631 19783 72 1 1 . 1 1 19 19 ILE HA H 19 3.764 3.764 4.172 -0.408 19783 73 1 1 . 1 1 19 19 ILE CA C 19 64.709 64.709 61.658 3.050 19783 74 1 1 . 1 1 19 19 ILE CB C 19 38.630 38.630 38.720 -0.090 19783 75 1 1 . 1 1 19 19 ILE H H 19 8.268 8.268 7.476 0.792 19783 76 1 1 . 1 1 20 20 TRP N N 20 119.035 119.035 121.098 -2.063 19783 77 1 1 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.674 0.268 19783 78 1 1 . 1 1 20 20 TRP C C 20 173.974 173.974 175.630 -1.656 19783 79 1 1 . 1 1 20 20 TRP CA C 20 55.508 55.508 55.505 0.003 19783 80 1 1 . 1 1 20 20 TRP CB C 20 29.892 29.892 29.910 -0.018 19783 81 1 1 . 1 1 20 20 TRP H H 20 8.275 8.275 7.243 1.032 19783 82 1 1 . 1 1 21 21 THR N N 21 122.056 122.056 114.977 7.079 19783 83 1 1 . 1 1 21 21 THR HA H 21 4.585 4.585 4.127 0.458 19783 84 1 1 . 1 1 21 21 THR CB C 21 70.303 70.303 68.781 1.522 19783 85 1 1 . 1 1 21 21 THR H H 21 8.470 8.470 8.412 0.058 19783 86 1 1 . 1 1 23 23 GLN N N 23 123.024 123.024 120.522 2.502 19783 87 1 1 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.599 -0.450 19783 88 1 1 . 1 1 23 23 GLN CA C 23 58.179 58.179 55.986 2.193 19783 89 1 1 . 1 1 23 23 GLN CB C 23 26.860 26.860 31.556 -4.696 19783 90 1 1 . 1 1 23 23 GLN H H 23 8.638 8.638 8.288 0.350 19783 91 1 1 . 1 1 24 24 THR N N 24 110.779 110.779 117.064 -6.285 19783 92 1 1 . 1 1 24 24 THR HA H 24 4.785 4.785 4.569 0.216 19783 93 1 1 . 1 1 24 24 THR CA C 24 60.278 60.278 60.327 -0.049 19783 94 1 1 . 1 1 24 24 THR CB C 24 72.143 72.143 69.012 3.131 19783 95 1 1 . 1 1 24 24 THR H H 24 7.402 7.402 8.607 -1.205 19783 96 1 1 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.629 -0.536 19783 97 1 1 . 1 1 25 25 ALA CA C 25 53.882 53.882 52.427 1.455 19783 98 1 1 . 1 1 25 25 ALA CB C 25 19.459 19.459 20.543 -1.084 19783 99 1 1 . 1 1 26 26 THR N N 26 116.103 116.103 109.941 6.162 19783 100 1 1 . 1 1 26 26 THR CB C 26 69.894 69.894 71.964 -2.070 19783 101 1 1 . 1 1 26 26 THR H H 26 7.874 7.874 7.229 0.645 19783 102 1 1 . 1 1 27 27 ILE HA H 27 3.717 3.717 4.385 -0.668 19783 103 1 1 . 1 1 27 27 ILE CA C 27 60.996 60.996 59.039 1.957 19783 104 1 1 . 1 1 27 27 ILE CB C 27 39.127 39.127 38.042 1.085 19783 105 1 1 . 1 1 27 27 ILE H H 27 8.853 8.853 8.510 0.343 19783 106 1 1 . 1 1 28 28 VAL N N 28 125.545 125.545 124.081 1.464 19783 107 1 1 . 1 1 28 28 VAL HA H 28 4.651 4.651 5.313 -0.662 19783 108 1 1 . 1 1 28 28 VAL C C 28 173.536 173.536 174.269 -0.733 19783 109 1 1 . 1 1 28 28 VAL CA C 28 62.257 62.257 58.956 3.301 19783 110 1 1 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.396 -1.210 19783 111 1 1 . 1 1 28 28 VAL H H 28 7.502 7.502 8.751 -1.249 19783 112 1 1 . 1 1 29 29 CYS N N 29 128.977 128.977 127.273 1.704 19783 113 1 1 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.082 0.100 19783 114 1 1 . 1 1 29 29 CYS C C 29 172.070 172.070 173.841 -1.771 19783 115 1 1 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.631 -3.250 19783 116 1 1 . 1 1 29 29 CYS CB C 29 43.709 43.709 27.890 15.819 19783 117 1 1 . 1 1 29 29 CYS H H 29 9.907 9.907 9.638 0.269 19783 118 1 1 . 1 1 30 30 GLU N N 30 126.688 126.688 130.218 -3.530 19783 119 1 1 . 1 1 30 30 GLU HA H 30 4.852 4.852 5.209 -0.357 19783 120 1 1 . 1 1 30 30 GLU CA C 30 55.742 55.742 54.954 0.788 19783 121 1 1 . 1 1 30 30 GLU CB C 30 32.387 32.387 31.580 0.807 19783 122 1 1 . 1 1 30 30 GLU H H 30 9.217 9.217 9.289 -0.072 19783 123 1 1 . 1 1 31 31 ILE N N 31 130.021 130.021 121.033 8.988 19783 124 1 1 . 1 1 31 31 ILE HA H 31 4.944 4.944 5.453 -0.509 19783 125 1 1 . 1 1 31 31 ILE C C 31 174.580 174.580 173.938 0.642 19783 126 1 1 . 1 1 31 31 ILE CA C 31 60.795 60.795 58.213 2.582 19783 127 1 1 . 1 1 31 31 ILE CB C 31 40.658 40.658 40.259 0.399 19783 128 1 1 . 1 1 31 31 ILE H H 31 9.119 9.119 9.232 -0.113 19783 129 1 1 . 1 1 32 32 VAL N N 32 127.671 127.671 126.478 1.193 19783 130 1 1 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.760 0.464 19783 131 1 1 . 1 1 32 32 VAL C C 32 176.331 176.331 175.083 1.248 19783 132 1 1 . 1 1 32 32 VAL CA C 32 61.204 61.204 60.462 0.741 19783 133 1 1 . 1 1 32 32 VAL CB C 32 34.236 34.236 33.060 1.176 19783 134 1 1 . 1 1 32 32 VAL H H 32 8.723 8.723 8.345 0.378 19783 135 1 1 . 1 1 33 33 TYR N N 33 125.563 125.563 122.939 2.624 19783 136 1 1 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.822 -0.437 19783 137 1 1 . 1 1 33 33 TYR C C 33 172.424 172.424 173.834 -1.410 19783 138 1 1 . 1 1 33 33 TYR CA C 33 56.468 56.468 55.203 1.265 19783 139 1 1 . 1 1 33 33 TYR CB C 33 41.612 41.612 40.960 0.652 19783 140 1 1 . 1 1 33 33 TYR H H 33 9.114 9.114 8.935 0.179 19783 141 1 1 . 1 1 34 34 SER N N 34 111.556 111.556 114.681 -3.125 19783 142 1 1 . 1 1 34 34 SER HA H 34 4.749 4.749 4.810 -0.061 19783 143 1 1 . 1 1 34 34 SER C C 34 174.108 174.108 174.270 -0.162 19783 144 1 1 . 1 1 34 34 SER CA C 34 57.900 57.900 57.358 0.542 19783 145 1 1 . 1 1 34 34 SER CB C 34 65.956 65.956 66.515 -0.559 19783 146 1 1 . 1 1 34 34 SER H H 34 8.342 8.342 8.652 -0.310 19783 147 1 1 . 1 1 35 35 ASP N N 35 118.304 118.304 118.814 -0.510 19783 148 1 1 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.433 -0.068 19783 149 1 1 . 1 1 35 35 ASP C C 35 175.018 175.018 175.246 -0.228 19783 150 1 1 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.918 0.883 19783 151 1 1 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.283 0.074 19783 152 1 1 . 1 1 35 35 ASP H H 35 8.672 8.672 8.875 -0.203 19783 153 1 1 . 1 1 36 36 LEU N N 36 117.764 117.764 118.746 -0.982 19783 154 1 1 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.419 0.105 19783 155 1 1 . 1 1 36 36 LEU C C 36 177.157 177.157 176.913 0.244 19783 156 1 1 . 1 1 36 36 LEU CA C 36 55.171 55.171 54.026 1.145 19783 157 1 1 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.189 0.094 19783 158 1 1 . 1 1 36 36 LEU H H 36 7.357 7.357 7.753 -0.396 19783 159 1 1 . 1 1 37 37 GLU N N 37 120.855 120.855 119.613 1.242 19783 160 1 1 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.454 0.008 19783 161 1 1 . 1 1 37 37 GLU C C 37 176.584 176.584 175.055 1.529 19783 162 1 1 . 1 1 37 37 GLU CA C 37 57.020 57.020 55.320 1.700 19783 163 1 1 . 1 1 37 37 GLU CB C 37 32.512 32.512 31.332 1.180 19783 164 1 1 . 1 1 37 37 GLU H H 37 9.557 9.557 8.484 1.073 19783 165 1 1 . 1 1 38 38 ASN N N 38 122.459 122.459 118.469 3.990 19783 166 1 1 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.517 0.417 19783 167 1 1 . 1 1 38 38 ASN C C 38 174.192 174.192 175.247 -1.055 19783 168 1 1 . 1 1 38 38 ASN CA C 38 52.794 52.794 53.568 -0.774 19783 169 1 1 . 1 1 38 38 ASN CB C 38 40.087 40.087 38.052 2.035 19783 170 1 1 . 1 1 38 38 ASN H H 38 9.124 9.124 8.395 0.729 19783 171 1 1 . 1 1 39 39 ILE N N 39 119.708 119.708 122.357 -2.649 19783 172 1 1 . 1 1 39 39 ILE HA H 39 4.160 4.160 4.102 0.058 19783 173 1 1 . 1 1 39 39 ILE C C 39 176.416 176.416 176.502 -0.086 19783 174 1 1 . 1 1 39 39 ILE CA C 39 62.166 62.166 61.831 0.335 19783 175 1 1 . 1 1 39 39 ILE CB C 39 38.218 38.218 38.499 -0.281 19783 176 1 1 . 1 1 39 39 ILE H H 39 7.252 7.252 7.991 -0.739 19783 177 1 1 . 1 1 40 40 LYS N N 40 128.321 128.321 127.526 0.795 19783 178 1 1 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.685 -0.282 19783 179 1 1 . 1 1 40 40 LYS C C 40 173.755 173.755 175.206 -1.451 19783 180 1 1 . 1 1 40 40 LYS CA C 40 55.056 55.056 54.831 0.225 19783 181 1 1 . 1 1 40 40 LYS CB C 40 36.010 36.010 33.747 2.263 19783 182 1 1 . 1 1 40 40 LYS H H 40 8.760 8.760 9.035 -0.275 19783 183 1 1 . 1 1 41 41 VAL N N 41 121.679 121.679 126.748 -5.069 19783 184 1 1 . 1 1 41 41 VAL HA H 41 4.760 4.760 4.545 0.215 19783 185 1 1 . 1 1 41 41 VAL C C 41 175.405 175.405 175.519 -0.114 19783 186 1 1 . 1 1 41 41 VAL CA C 41 60.873 60.873 62.159 -1.286 19783 187 1 1 . 1 1 41 41 VAL CB C 41 33.886 33.886 32.969 0.917 19783 188 1 1 . 1 1 41 41 VAL H H 41 7.902 7.902 8.568 -0.666 19783 189 1 1 . 1 1 42 42 PHE N N 42 126.800 126.800 126.840 -0.040 19783 190 1 1 . 1 1 42 42 PHE HA H 42 4.869 4.869 5.044 -0.175 19783 191 1 1 . 1 1 42 42 PHE C C 42 172.340 172.340 173.595 -1.255 19783 192 1 1 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.783 -0.693 19783 193 1 1 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.561 -1.571 19783 194 1 1 . 1 1 42 42 PHE H H 42 9.352 9.352 9.090 0.262 19783 195 1 1 . 1 1 43 43 TRP N N 43 119.314 119.314 125.533 -6.219 19783 196 1 1 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.380 0.355 19783 197 1 1 . 1 1 43 43 TRP C C 43 177.393 177.393 174.102 3.291 19783 198 1 1 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.530 0.366 19783 199 1 1 . 1 1 43 43 TRP CB C 43 32.055 32.055 32.871 -0.816 19783 200 1 1 . 1 1 43 43 TRP H H 43 8.847 8.847 8.123 0.724 19783 201 1 1 . 1 1 44 44 GLN N N 44 118.782 118.782 122.413 -3.631 19783 202 1 1 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.602 0.402 19783 203 1 1 . 1 1 44 44 GLN C C 44 175.035 175.035 174.059 0.976 19783 204 1 1 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.626 -0.463 19783 205 1 1 . 1 1 44 44 GLN CB C 44 33.065 33.065 32.710 0.355 19783 206 1 1 . 1 1 44 44 GLN H H 44 9.376 9.376 8.864 0.512 19783 207 1 1 . 1 1 45 45 VAL N N 45 121.659 121.659 127.561 -5.902 19783 208 1 1 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.863 -0.457 19783 209 1 1 . 1 1 45 45 VAL C C 45 176.921 176.921 175.569 1.352 19783 210 1 1 . 1 1 45 45 VAL CA C 45 61.827 61.827 60.449 1.379 19783 211 1 1 . 1 1 45 45 VAL CB C 45 34.260 34.260 32.813 1.447 19783 212 1 1 . 1 1 45 45 VAL H H 45 8.796 8.796 8.951 -0.155 19783 213 1 1 . 1 1 46 46 ASN N N 46 128.796 128.796 126.115 2.681 19783 214 1 1 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.332 0.051 19783 215 1 1 . 1 1 46 46 ASN C C 46 175.523 175.523 175.750 -0.227 19783 216 1 1 . 1 1 46 46 ASN CA C 46 54.279 54.279 54.056 0.223 19783 217 1 1 . 1 1 46 46 ASN CB C 46 37.485 37.485 36.974 0.511 19783 218 1 1 . 1 1 46 46 ASN H H 46 9.628 9.628 8.998 0.630 19783 219 1 1 . 1 1 47 47 GLY N N 47 102.032 102.032 102.758 -0.726 19783 220 1 1 . 1 1 47 47 GLY C C 47 173.519 173.519 174.095 -0.576 19783 221 1 1 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.403 0.070 19783 222 1 1 . 1 1 47 47 GLY H H 47 8.820 8.820 8.520 0.300 19783 223 1 1 . 1 1 48 48 VAL N N 48 120.265 120.265 122.344 -2.079 19783 224 1 1 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.193 0.062 19783 225 1 1 . 1 1 48 48 VAL C C 48 175.691 175.691 175.065 0.626 19783 226 1 1 . 1 1 48 48 VAL CA C 48 61.080 61.080 61.177 -0.097 19783 227 1 1 . 1 1 48 48 VAL CB C 48 34.420 34.420 32.977 1.443 19783 228 1 1 . 1 1 48 48 VAL H H 48 7.529 7.529 7.662 -0.133 19783 229 1 1 . 1 1 49 49 GLU N N 49 128.059 128.059 128.167 -0.108 19783 230 1 1 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.232 0.505 19783 231 1 1 . 1 1 49 49 GLU C C 49 175.927 175.927 176.347 -0.420 19783 232 1 1 . 1 1 49 49 GLU CA C 49 57.835 57.835 56.976 0.859 19783 233 1 1 . 1 1 49 49 GLU CB C 49 29.551 29.551 30.499 -0.948 19783 234 1 1 . 1 1 49 49 GLU H H 49 8.851 8.851 8.836 0.015 19783 235 1 1 . 1 1 50 50 ARG N N 50 128.391 128.391 127.041 1.350 19783 236 1 1 . 1 1 50 50 ARG CA C 50 54.280 54.280 54.840 -0.560 19783 237 1 1 . 1 1 50 50 ARG CB C 50 32.304 32.304 30.950 1.355 19783 238 1 1 . 1 1 50 50 ARG H H 50 8.704 8.704 8.466 0.238 19783 239 1 1 . 1 1 51 51 LYS N N 51 124.441 124.441 122.127 2.314 19783 240 1 1 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.266 0.263 19783 241 1 1 . 1 1 51 51 LYS CA C 51 56.868 56.868 55.831 1.037 19783 242 1 1 . 1 1 51 51 LYS CB C 51 34.604 34.604 32.939 1.665 19783 243 1 1 . 1 1 51 51 LYS H H 51 8.772 8.772 8.538 0.234 19783 244 1 1 . 1 1 52 52 LYS N N 52 122.374 122.374 120.563 1.811 19783 245 1 1 . 1 1 52 52 LYS HA H 52 4.197 4.197 4.012 0.185 19783 246 1 1 . 1 1 52 52 LYS C C 52 176.921 176.921 177.454 -0.533 19783 247 1 1 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.867 -0.388 19783 248 1 1 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.690 0.352 19783 249 1 1 . 1 1 52 52 LYS H H 52 7.752 7.752 8.348 -0.596 19783 250 1 1 . 1 1 53 53 GLY N N 53 112.970 112.970 108.863 4.107 19783 251 1 1 . 1 1 53 53 GLY C C 53 173.872 173.872 173.896 -0.024 19783 252 1 1 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.509 1.147 19783 253 1 1 . 1 1 53 53 GLY H H 53 8.832 8.832 8.632 0.200 19783 254 1 1 . 1 1 54 54 VAL N N 54 120.474 120.474 123.728 -3.254 19783 255 1 1 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.476 0.007 19783 256 1 1 . 1 1 54 54 VAL C C 54 176.870 176.870 173.946 2.924 19783 257 1 1 . 1 1 54 54 VAL CA C 54 62.101 62.101 61.616 0.485 19783 258 1 1 . 1 1 54 54 VAL CB C 54 33.587 33.587 32.425 1.162 19783 259 1 1 . 1 1 54 54 VAL H H 54 7.004 7.004 7.443 -0.439 19783 260 1 1 . 1 1 55 55 GLU N N 55 129.276 129.276 128.800 0.476 19783 261 1 1 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.761 -0.044 19783 262 1 1 . 1 1 55 55 GLU C C 55 175.068 175.068 174.421 0.647 19783 263 1 1 . 1 1 55 55 GLU CA C 55 55.831 55.831 55.145 0.686 19783 264 1 1 . 1 1 55 55 GLU CB C 55 32.917 32.917 33.024 -0.107 19783 265 1 1 . 1 1 55 55 GLU H H 55 9.091 9.091 8.695 0.396 19783 266 1 1 . 1 1 56 56 THR N N 56 126.675 126.675 123.031 3.644 19783 267 1 1 . 1 1 56 56 THR HA H 56 4.881 4.881 4.820 0.061 19783 268 1 1 . 1 1 56 56 THR CA C 56 62.268 62.268 62.740 -0.472 19783 269 1 1 . 1 1 56 56 THR CB C 56 69.679 69.679 69.515 0.164 19783 270 1 1 . 1 1 56 56 THR H H 56 9.162 9.162 8.566 0.596 19783 271 1 1 . 1 1 57 57 GLN N N 57 127.368 127.368 126.468 0.900 19783 272 1 1 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.468 -0.079 19783 273 1 1 . 1 1 57 57 GLN C C 57 175.254 175.254 175.746 -0.492 19783 274 1 1 . 1 1 57 57 GLN CA C 57 55.285 55.285 55.049 0.236 19783 275 1 1 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.301 0.204 19783 276 1 1 . 1 1 57 57 GLN H H 57 8.638 8.638 8.997 -0.359 19783 277 1 1 . 1 1 58 58 ASN N N 58 118.031 118.031 121.377 -3.346 19783 278 1 1 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.708 0.132 19783 279 1 1 . 1 1 58 58 ASN CA C 58 52.081 52.081 52.253 -0.172 19783 280 1 1 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.877 -1.584 19783 281 1 1 . 1 1 58 58 ASN H H 58 8.398 8.398 8.604 -0.206 19783 282 1 1 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.415 0.200 19783 283 1 1 . 1 1 59 59 PRO CA C 59 63.453 63.453 63.844 -0.391 19783 284 1 1 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.511 -0.249 19783 285 1 1 . 1 1 60 60 GLU N N 60 122.445 122.445 123.244 -0.799 19783 286 1 1 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.705 -0.067 19783 287 1 1 . 1 1 60 60 GLU C C 60 175.574 175.574 175.533 0.041 19783 288 1 1 . 1 1 60 60 GLU CA C 60 54.797 54.797 55.035 -0.237 19783 289 1 1 . 1 1 60 60 GLU CB C 60 32.614 32.614 32.535 0.079 19783 290 1 1 . 1 1 60 60 GLU H H 60 8.704 8.704 8.850 -0.146 19783 291 1 1 . 1 1 61 61 TRP N N 61 125.833 125.833 127.378 -1.545 19783 292 1 1 . 1 1 61 61 TRP HA H 61 5.060 5.060 5.273 -0.213 19783 293 1 1 . 1 1 61 61 TRP C C 61 176.651 176.651 175.166 1.485 19783 294 1 1 . 1 1 61 61 TRP CA C 61 57.163 57.163 56.231 0.932 19783 295 1 1 . 1 1 61 61 TRP CB C 61 30.886 30.886 31.116 -0.230 19783 296 1 1 . 1 1 61 61 TRP H H 61 8.817 8.817 8.670 0.147 19783 297 1 1 . 1 1 62 62 SER N N 62 120.682 120.682 123.563 -2.881 19783 298 1 1 . 1 1 62 62 SER HA H 62 4.424 4.424 4.797 -0.373 19783 299 1 1 . 1 1 62 62 SER C C 62 174.614 174.614 173.946 0.668 19783 300 1 1 . 1 1 62 62 SER CA C 62 57.422 57.422 57.364 0.058 19783 301 1 1 . 1 1 62 62 SER CB C 62 64.113 64.113 64.302 -0.189 19783 302 1 1 . 1 1 62 62 SER H H 62 8.551 8.551 8.738 -0.187 19783 303 1 1 . 1 1 63 63 GLY N N 63 112.655 112.655 115.797 -3.142 19783 304 1 1 . 1 1 63 63 GLY CA C 63 46.488 46.488 46.572 -0.084 19783 305 1 1 . 1 1 63 63 GLY H H 63 6.895 6.895 8.841 -1.946 19783 306 1 1 . 1 1 64 64 SER HA H 64 4.347 4.347 4.555 -0.208 19783 307 1 1 . 1 1 64 64 SER CA C 64 59.027 59.027 57.839 1.188 19783 308 1 1 . 1 1 64 64 SER CB C 64 63.975 63.975 63.934 0.041 19783 309 1 1 . 1 1 65 65 LYS N N 65 120.463 120.463 122.909 -2.446 19783 310 1 1 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.256 0.227 19783 311 1 1 . 1 1 65 65 LYS C C 65 174.816 174.816 174.807 0.009 19783 312 1 1 . 1 1 65 65 LYS CA C 65 54.862 54.862 54.523 0.339 19783 313 1 1 . 1 1 65 65 LYS CB C 65 35.788 35.788 33.719 2.069 19783 314 1 1 . 1 1 65 65 LYS H H 65 7.441 7.441 7.567 -0.126 19783 315 1 1 . 1 1 66 66 SER N N 66 117.984 117.984 119.129 -1.145 19783 316 1 1 . 1 1 66 66 SER HA H 66 4.999 4.999 5.438 -0.439 19783 317 1 1 . 1 1 66 66 SER C C 66 172.205 172.205 173.828 -1.623 19783 318 1 1 . 1 1 66 66 SER CA C 66 57.739 57.739 57.391 0.348 19783 319 1 1 . 1 1 66 66 SER CB C 66 64.876 64.876 65.883 -1.007 19783 320 1 1 . 1 1 66 66 SER H H 66 8.522 8.522 8.650 -0.128 19783 321 1 1 . 1 1 67 67 THR N N 67 115.663 115.663 119.471 -3.808 19783 322 1 1 . 1 1 67 67 THR HA H 67 5.608 5.608 4.923 0.685 19783 323 1 1 . 1 1 67 67 THR C C 67 175.102 175.102 173.090 2.012 19783 324 1 1 . 1 1 67 67 THR CA C 67 60.739 60.739 61.737 -0.998 19783 325 1 1 . 1 1 67 67 THR CB C 67 72.013 72.013 70.643 1.370 19783 326 1 1 . 1 1 67 67 THR H H 67 8.354 8.354 8.934 -0.580 19783 327 1 1 . 1 1 68 68 ILE N N 68 127.394 127.394 128.981 -1.587 19783 328 1 1 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.472 -0.169 19783 329 1 1 . 1 1 68 68 ILE C C 68 173.519 173.519 173.691 -0.172 19783 330 1 1 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.490 1.786 19783 331 1 1 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.138 1.989 19783 332 1 1 . 1 1 68 68 ILE H H 68 9.529 9.529 9.149 0.380 19783 333 1 1 . 1 1 69 69 VAL N N 69 125.903 125.903 127.594 -1.691 19783 334 1 1 . 1 1 69 69 VAL HA H 69 4.857 4.857 5.184 -0.327 19783 335 1 1 . 1 1 69 69 VAL C C 69 174.917 174.917 173.911 1.006 19783 336 1 1 . 1 1 69 69 VAL CA C 69 61.241 61.241 59.516 1.725 19783 337 1 1 . 1 1 69 69 VAL CB C 69 34.136 34.136 35.030 -0.894 19783 338 1 1 . 1 1 69 69 VAL H H 69 7.253 7.253 8.575 -1.322 19783 339 1 1 . 1 1 70 70 SER N N 70 121.681 121.681 123.649 -1.968 19783 340 1 1 . 1 1 70 70 SER HA H 70 5.397 5.397 5.631 -0.234 19783 341 1 1 . 1 1 70 70 SER C C 70 173.047 173.047 173.735 -0.688 19783 342 1 1 . 1 1 70 70 SER CA C 70 56.407 56.407 56.586 -0.179 19783 343 1 1 . 1 1 70 70 SER CB C 70 64.832 64.832 65.717 -0.885 19783 344 1 1 . 1 1 70 70 SER H H 70 9.302 9.302 9.205 0.097 19783 345 1 1 . 1 1 71 71 LYS N N 71 127.421 127.421 125.017 2.404 19783 346 1 1 . 1 1 71 71 LYS HA H 71 5.360 5.360 4.755 0.605 19783 347 1 1 . 1 1 71 71 LYS C C 71 173.603 173.603 174.545 -0.942 19783 348 1 1 . 1 1 71 71 LYS CA C 71 54.771 54.771 54.861 -0.090 19783 349 1 1 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.300 0.808 19783 350 1 1 . 1 1 71 71 LYS H H 71 9.029 9.029 8.920 0.109 19783 351 1 1 . 1 1 72 72 LEU N N 72 124.252 124.252 124.181 0.071 19783 352 1 1 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.565 -0.283 19783 353 1 1 . 1 1 72 72 LEU C C 72 174.075 174.075 175.648 -1.573 19783 354 1 1 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.317 0.683 19783 355 1 1 . 1 1 72 72 LEU CB C 72 41.516 41.516 43.964 -2.448 19783 356 1 1 . 1 1 72 72 LEU H H 72 8.407 8.407 8.563 -0.156 19783 357 1 1 . 1 1 73 73 LYS N N 73 128.141 128.141 126.733 1.408 19783 358 1 1 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.394 0.384 19783 359 1 1 . 1 1 73 73 LYS C C 73 176.331 176.331 176.010 0.321 19783 360 1 1 . 1 1 73 73 LYS CA C 73 55.250 55.250 54.754 0.496 19783 361 1 1 . 1 1 73 73 LYS CB C 73 33.333 33.333 31.836 1.497 19783 362 1 1 . 1 1 73 73 LYS H H 73 8.090 8.090 8.543 -0.453 19783 363 1 1 . 1 1 74 74 VAL N N 74 121.453 121.453 118.471 2.982 19783 364 1 1 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.612 0.020 19783 365 1 1 . 1 1 74 74 VAL C C 74 175.590 175.590 174.707 0.883 19783 366 1 1 . 1 1 74 74 VAL CA C 74 58.455 58.455 59.887 -1.432 19783 367 1 1 . 1 1 74 74 VAL CB C 74 35.744 35.744 34.855 0.889 19783 368 1 1 . 1 1 74 74 VAL H H 74 8.730 8.730 7.621 1.109 19783 369 1 1 . 1 1 75 75 MET N N 75 119.151 119.151 120.708 -1.557 19783 370 1 1 . 1 1 75 75 MET HA H 75 4.560 4.560 4.777 -0.217 19783 371 1 1 . 1 1 75 75 MET CA C 75 55.753 55.753 53.870 1.883 19783 372 1 1 . 1 1 75 75 MET CB C 75 32.563 32.563 31.214 1.349 19783 373 1 1 . 1 1 75 75 MET H H 75 8.724 8.724 9.048 -0.324 19783 374 1 1 . 1 1 76 76 ALA N N 76 127.351 127.351 129.599 -2.248 19783 375 1 1 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.105 -0.363 19783 376 1 1 . 1 1 76 76 ALA C C 76 178.487 178.487 179.633 -1.146 19783 377 1 1 . 1 1 76 76 ALA CA C 76 55.953 55.953 55.846 0.107 19783 378 1 1 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.272 -0.278 19783 379 1 1 . 1 1 76 76 ALA H H 76 8.460 8.460 8.996 -0.536 19783 380 1 1 . 1 1 77 77 SER N N 77 110.202 110.202 114.009 -3.807 19783 381 1 1 . 1 1 77 77 SER HA H 77 4.149 4.149 4.194 -0.045 19783 382 1 1 . 1 1 77 77 SER C C 77 176.550 176.550 176.608 -0.058 19783 383 1 1 . 1 1 77 77 SER CA C 77 60.894 60.894 61.066 -0.172 19783 384 1 1 . 1 1 77 77 SER CB C 77 61.996 61.996 62.737 -0.742 19783 385 1 1 . 1 1 77 77 SER H H 77 8.460 8.460 8.577 -0.117 19783 386 1 1 . 1 1 78 78 GLU N N 78 124.828 124.828 123.559 1.269 19783 387 1 1 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.166 -0.016 19783 388 1 1 . 1 1 78 78 GLU C C 78 179.599 179.599 177.694 1.905 19783 389 1 1 . 1 1 78 78 GLU CA C 78 59.118 59.118 59.201 -0.083 19783 390 1 1 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.409 1.963 19783 391 1 1 . 1 1 78 78 GLU H H 78 7.336 7.336 7.751 -0.415 19783 392 1 1 . 1 1 79 79 TRP N N 79 123.252 123.252 121.148 2.104 19783 393 1 1 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.622 0.012 19783 394 1 1 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.623 1.171 19783 395 1 1 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.744 -0.276 19783 396 1 1 . 1 1 79 79 TRP H H 79 7.469 7.469 8.470 -1.001 19783 397 1 1 . 1 1 80 80 ASP N N 80 116.114 116.114 119.086 -2.972 19783 398 1 1 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.265 0.028 19783 399 1 1 . 1 1 80 80 ASP C C 80 177.174 177.174 177.932 -0.758 19783 400 1 1 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.277 0.330 19783 401 1 1 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.262 1.072 19783 402 1 1 . 1 1 80 80 ASP H H 80 8.816 8.816 8.939 -0.123 19783 403 1 1 . 1 1 81 81 SER N N 81 112.692 112.692 113.955 -1.263 19783 404 1 1 . 1 1 81 81 SER HA H 81 4.338 4.338 4.308 0.030 19783 405 1 1 . 1 1 81 81 SER C C 81 175.203 175.203 175.315 -0.112 19783 406 1 1 . 1 1 81 81 SER CA C 81 59.645 59.645 59.058 0.587 19783 407 1 1 . 1 1 81 81 SER CB C 81 64.055 64.055 63.189 0.866 19783 408 1 1 . 1 1 81 81 SER H H 81 7.393 7.393 7.542 -0.149 19783 409 1 1 . 1 1 82 82 GLY N N 82 108.811 108.811 109.784 -0.973 19783 410 1 1 . 1 1 82 82 GLY C C 82 173.687 173.687 174.497 -0.810 19783 411 1 1 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.204 1.016 19783 412 1 1 . 1 1 82 82 GLY H H 82 7.587 7.587 7.603 -0.016 19783 413 1 1 . 1 1 83 83 THR N N 83 116.253 116.253 116.469 -0.216 19783 414 1 1 . 1 1 83 83 THR HA H 83 3.668 3.668 4.050 -0.382 19783 415 1 1 . 1 1 83 83 THR C C 83 170.908 170.908 174.810 -3.902 19783 416 1 1 . 1 1 83 83 THR CA C 83 63.674 63.674 64.738 -1.064 19783 417 1 1 . 1 1 83 83 THR CB C 83 70.037 70.037 69.552 0.485 19783 418 1 1 . 1 1 83 83 THR H H 83 6.788 6.788 7.445 -0.657 19783 419 1 1 . 1 1 84 84 GLU N N 84 124.967 124.967 126.471 -1.504 19783 420 1 1 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.333 0.344 19783 421 1 1 . 1 1 84 84 GLU C C 84 174.462 174.462 175.362 -0.900 19783 422 1 1 . 1 1 84 84 GLU CA C 84 55.508 55.508 56.783 -1.275 19783 423 1 1 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.502 1.542 19783 424 1 1 . 1 1 84 84 GLU H H 84 8.006 8.006 8.248 -0.242 19783 425 1 1 . 1 1 85 85 TYR N N 85 127.327 127.327 123.795 3.532 19783 426 1 1 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.291 -0.342 19783 427 1 1 . 1 1 85 85 TYR C C 85 174.563 174.563 174.600 -0.037 19783 428 1 1 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.154 1.295 19783 429 1 1 . 1 1 85 85 TYR CB C 85 41.291 41.291 40.994 0.297 19783 430 1 1 . 1 1 85 85 TYR H H 85 8.993 8.993 8.379 0.614 19783 431 1 1 . 1 1 86 86 VAL N N 86 121.985 121.985 122.592 -0.607 19783 432 1 1 . 1 1 86 86 VAL HA H 86 4.884 4.884 4.987 -0.103 19783 433 1 1 . 1 1 86 86 VAL C C 86 173.822 173.822 173.145 0.677 19783 434 1 1 . 1 1 86 86 VAL CA C 86 60.701 60.701 59.230 1.472 19783 435 1 1 . 1 1 86 86 VAL CB C 86 35.536 35.536 35.478 0.057 19783 436 1 1 . 1 1 86 86 VAL H H 86 8.873 8.873 8.437 0.436 19783 437 1 1 . 1 1 87 87 CYS N N 87 127.376 127.376 127.016 0.360 19783 438 1 1 . 1 1 87 87 CYS HA H 87 3.909 3.909 4.808 -0.899 19783 439 1 1 . 1 1 87 87 CYS C C 87 171.211 171.211 173.081 -1.870 19783 440 1 1 . 1 1 87 87 CYS CA C 87 52.879 52.879 55.499 -2.620 19783 441 1 1 . 1 1 87 87 CYS CB C 87 44.008 44.008 27.285 16.723 19783 442 1 1 . 1 1 87 87 CYS H H 87 8.312 8.312 8.771 -0.459 19783 443 1 1 . 1 1 88 88 LEU N N 88 127.118 127.118 129.548 -2.430 19783 444 1 1 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.639 -0.693 19783 445 1 1 . 1 1 88 88 LEU C C 88 173.957 173.957 175.531 -1.574 19783 446 1 1 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.547 0.957 19783 447 1 1 . 1 1 88 88 LEU CB C 88 45.537 45.537 46.129 -0.592 19783 448 1 1 . 1 1 88 88 LEU H H 88 8.837 8.837 9.019 -0.182 19783 449 1 1 . 1 1 89 89 VAL N N 89 120.421 120.421 121.017 -0.596 19783 450 1 1 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.837 0.027 19783 451 1 1 . 1 1 89 89 VAL C C 89 174.580 174.580 174.577 0.003 19783 452 1 1 . 1 1 89 89 VAL CA C 89 60.421 60.421 60.423 -0.002 19783 453 1 1 . 1 1 89 89 VAL CB C 89 34.505 34.505 34.288 0.216 19783 454 1 1 . 1 1 89 89 VAL H H 89 8.687 8.687 8.892 -0.205 19783 455 1 1 . 1 1 90 90 GLU N N 90 122.482 122.482 127.510 -5.028 19783 456 1 1 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.719 0.104 19783 457 1 1 . 1 1 90 90 GLU C C 90 174.664 174.664 173.774 0.890 19783 458 1 1 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.490 -0.288 19783 459 1 1 . 1 1 90 90 GLU CB C 90 34.685 34.685 33.121 1.564 19783 460 1 1 . 1 1 90 90 GLU H H 90 8.551 8.551 9.052 -0.501 19783 461 1 1 . 1 1 91 91 ASP N N 91 119.348 119.348 124.879 -5.531 19783 462 1 1 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.870 -0.126 19783 463 1 1 . 1 1 91 91 ASP C C 91 176.921 176.921 176.296 0.625 19783 464 1 1 . 1 1 91 91 ASP CA C 91 54.603 54.603 53.262 1.341 19783 465 1 1 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.158 4.399 19783 466 1 1 . 1 1 91 91 ASP H H 91 7.980 7.980 8.593 -0.613 19783 467 1 1 . 1 1 92 92 SER N N 92 121.504 121.504 119.079 2.425 19783 468 1 1 . 1 1 92 92 SER HA H 92 4.158 4.158 4.282 -0.124 19783 469 1 1 . 1 1 92 92 SER C C 92 175.574 175.574 175.067 0.507 19783 470 1 1 . 1 1 92 92 SER CA C 92 61.803 61.803 60.606 1.197 19783 471 1 1 . 1 1 92 92 SER CB C 92 62.911 62.911 63.027 -0.116 19783 472 1 1 . 1 1 92 92 SER H H 92 7.973 7.973 8.920 -0.947 19783 473 1 1 . 1 1 93 93 GLU N N 93 121.008 121.008 119.490 1.518 19783 474 1 1 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.368 -0.079 19783 475 1 1 . 1 1 93 93 GLU C C 93 176.517 176.517 176.449 0.068 19783 476 1 1 . 1 1 93 93 GLU CA C 93 56.610 56.610 55.630 0.980 19783 477 1 1 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.003 -0.028 19783 478 1 1 . 1 1 93 93 GLU H H 93 9.782 9.782 8.270 1.512 19783 479 1 1 . 1 1 94 94 LEU N N 94 121.375 121.375 122.196 -0.821 19783 480 1 1 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.548 0.237 19783 481 1 1 . 1 1 94 94 LEU CA C 94 51.759 51.759 52.755 -0.996 19783 482 1 1 . 1 1 94 94 LEU CB C 94 42.854 42.854 42.008 0.846 19783 483 1 1 . 1 1 94 94 LEU H H 94 7.802 7.802 7.370 0.432 19783 484 1 1 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.532 -0.248 19783 485 1 1 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.496 1.311 19783 486 1 1 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.173 0.127 19783 487 1 1 . 1 1 96 96 THR N N 96 109.657 109.657 110.279 -0.622 19783 488 1 1 . 1 1 96 96 THR HA H 96 4.499 4.499 4.738 -0.239 19783 489 1 1 . 1 1 96 96 THR CA C 96 58.673 58.673 59.184 -0.512 19783 490 1 1 . 1 1 96 96 THR CB C 96 70.994 70.994 71.588 -0.594 19783 491 1 1 . 1 1 96 96 THR H H 96 7.094 7.094 7.831 -0.737 19783 492 1 1 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.640 0.106 19783 493 1 1 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.694 0.600 19783 494 1 1 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.539 0.430 19783 495 1 1 . 1 1 98 98 VAL N N 98 122.997 122.997 121.850 1.147 19783 496 1 1 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.449 -0.241 19783 497 1 1 . 1 1 98 98 VAL C C 98 173.923 173.923 173.840 0.083 19783 498 1 1 . 1 1 98 98 VAL CA C 98 61.972 61.972 59.610 2.362 19783 499 1 1 . 1 1 98 98 VAL CB C 98 33.468 33.468 34.452 -0.984 19783 500 1 1 . 1 1 98 98 VAL H H 98 8.358 8.358 8.147 0.211 19783 501 1 1 . 1 1 99 99 LYS N N 99 122.194 122.194 124.548 -2.354 19783 502 1 1 . 1 1 99 99 LYS HA H 99 5.482 5.482 5.579 -0.097 19783 503 1 1 . 1 1 99 99 LYS C C 99 174.984 174.984 174.623 0.361 19783 504 1 1 . 1 1 99 99 LYS CA C 99 54.322 54.322 53.989 0.333 19783 505 1 1 . 1 1 99 99 LYS CB C 99 37.320 37.320 36.159 1.161 19783 506 1 1 . 1 1 99 99 LYS H H 99 8.340 8.340 8.246 0.094 19783 507 1 1 . 1 1 100 100 ALA N N 100 123.875 123.875 123.493 0.382 19783 508 1 1 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.595 0.043 19783 509 1 1 . 1 1 100 100 ALA C C 100 174.243 174.243 174.918 -0.675 19783 510 1 1 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.714 -0.322 19783 511 1 1 . 1 1 100 100 ALA CB C 100 23.012 23.012 20.930 2.083 19783 512 1 1 . 1 1 100 100 ALA H H 100 8.600 8.600 8.521 0.079 19783 513 1 1 . 1 1 101 101 SER N N 101 114.189 114.189 117.829 -3.640 19783 514 1 1 . 1 1 101 101 SER HA H 101 5.761 5.761 5.530 0.231 19783 515 1 1 . 1 1 101 101 SER C C 101 173.519 173.519 173.684 -0.165 19783 516 1 1 . 1 1 101 101 SER CA C 101 56.346 56.346 56.750 -0.404 19783 517 1 1 . 1 1 101 101 SER CB C 101 67.504 67.504 65.719 1.785 19783 518 1 1 . 1 1 101 101 SER H H 101 8.367 8.367 8.360 0.007 19783 519 1 1 . 1 1 102 102 ILE N N 102 121.742 121.742 121.838 -0.096 19783 520 1 1 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.538 0.240 19783 521 1 1 . 1 1 102 102 ILE C C 102 170.824 170.824 174.481 -3.657 19783 522 1 1 . 1 1 102 102 ILE CA C 102 61.198 61.198 60.179 1.019 19783 523 1 1 . 1 1 102 102 ILE CB C 102 41.820 41.820 41.617 0.203 19783 524 1 1 . 1 1 102 102 ILE H H 102 9.317 9.317 8.921 0.396 19783 525 1 1 . 1 1 103 103 ARG N N 103 120.111 120.111 127.047 -6.936 19783 526 1 1 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.658 -0.077 19783 527 1 1 . 1 1 103 103 ARG C C 103 174.411 174.411 175.396 -0.985 19783 528 1 1 . 1 1 103 103 ARG CA C 103 54.474 54.474 54.611 -0.137 19783 529 1 1 . 1 1 103 103 ARG CB C 103 34.589 34.589 32.610 1.979 19783 530 1 1 . 1 1 103 103 ARG H H 103 7.525 7.525 8.631 -1.106 19783 531 1 1 . 1 1 104 104 LYS N N 104 126.177 126.177 123.326 2.851 19783 532 1 1 . 1 1 104 104 LYS HA H 104 3.614 3.614 4.036 -0.422 19783 533 1 1 . 1 1 104 104 LYS C C 104 175.287 175.287 175.170 0.117 19783 534 1 1 . 1 1 104 104 LYS CA C 104 58.288 58.288 56.576 1.712 19783 535 1 1 . 1 1 104 104 LYS CB C 104 32.169 32.169 31.477 0.692 19783 536 1 1 . 1 1 104 104 LYS H H 104 9.077 9.077 8.333 0.744 19783 537 1 2 . 1 1 2 2 GLY CA C 2 43.533 43.533 44.736 -1.203 19783 538 1 2 . 1 1 3 3 ARG HA H 3 4.368 4.368 4.529 -0.161 19783 539 1 2 . 1 1 3 3 ARG CA C 3 56.394 56.394 55.467 0.928 19783 540 1 2 . 1 1 3 3 ARG CB C 3 31.358 31.358 31.097 0.261 19783 541 1 2 . 1 1 4 4 GLN N N 4 122.771 122.771 123.581 -0.810 19783 542 1 2 . 1 1 4 4 GLN HA H 4 4.393 4.393 3.929 0.464 19783 543 1 2 . 1 1 4 4 GLN C C 4 175.843 175.843 175.276 0.567 19783 544 1 2 . 1 1 4 4 GLN CA C 4 56.155 56.155 57.935 -1.780 19783 545 1 2 . 1 1 4 4 GLN CB C 4 29.413 29.413 27.642 1.771 19783 546 1 2 . 1 1 4 4 GLN H H 4 8.899 8.899 9.065 -0.166 19783 547 1 2 . 1 1 5 5 THR N N 5 115.866 115.866 118.768 -2.902 19783 548 1 2 . 1 1 5 5 THR HA H 5 4.276 4.276 4.377 -0.101 19783 549 1 2 . 1 1 5 5 THR C C 5 173.957 173.957 173.220 0.737 19783 550 1 2 . 1 1 5 5 THR CA C 5 62.295 62.295 61.378 0.917 19783 551 1 2 . 1 1 5 5 THR CB C 5 69.957 69.957 68.826 1.131 19783 552 1 2 . 1 1 5 5 THR H H 5 8.063 8.063 7.946 0.117 19783 553 1 2 . 1 1 6 6 ASP N N 6 124.653 124.653 129.962 -5.309 19783 554 1 2 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.903 -0.153 19783 555 1 2 . 1 1 6 6 ASP C C 6 174.159 174.159 174.101 0.058 19783 556 1 2 . 1 1 6 6 ASP CA C 6 54.022 54.022 53.436 0.586 19783 557 1 2 . 1 1 6 6 ASP CB C 6 41.741 41.741 42.500 -0.759 19783 558 1 2 . 1 1 6 6 ASP H H 6 8.499 8.499 8.080 0.419 19783 559 1 2 . 1 1 7 7 ILE N N 7 119.741 119.741 126.278 -6.537 19783 560 1 2 . 1 1 7 7 ILE HA H 7 4.992 4.992 4.957 0.035 19783 561 1 2 . 1 1 7 7 ILE C C 7 173.334 173.334 174.358 -1.024 19783 562 1 2 . 1 1 7 7 ILE CA C 7 60.213 60.213 59.789 0.424 19783 563 1 2 . 1 1 7 7 ILE CB C 7 40.206 40.206 40.624 -0.418 19783 564 1 2 . 1 1 7 7 ILE H H 7 7.799 7.799 8.246 -0.447 19783 565 1 2 . 1 1 8 8 SER N N 8 121.920 121.920 125.882 -3.962 19783 566 1 2 . 1 1 8 8 SER HA H 8 4.694 4.694 4.831 -0.137 19783 567 1 2 . 1 1 8 8 SER C C 8 172.508 172.508 173.040 -0.532 19783 568 1 2 . 1 1 8 8 SER CA C 8 56.801 56.801 57.189 -0.388 19783 569 1 2 . 1 1 8 8 SER CB C 8 65.356 65.356 63.547 1.809 19783 570 1 2 . 1 1 8 8 SER H H 8 8.850 8.850 9.064 -0.214 19783 571 1 2 . 1 1 9 9 VAL N N 9 125.845 125.845 127.753 -1.908 19783 572 1 2 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.139 0.470 19783 573 1 2 . 1 1 9 9 VAL C C 9 174.647 174.647 175.442 -0.795 19783 574 1 2 . 1 1 9 9 VAL CA C 9 61.730 61.730 61.867 -0.137 19783 575 1 2 . 1 1 9 9 VAL CB C 9 34.372 34.372 32.337 2.035 19783 576 1 2 . 1 1 9 9 VAL H H 9 8.452 8.452 8.751 -0.299 19783 577 1 2 . 1 1 10 10 SER N N 10 121.312 121.312 125.588 -4.276 19783 578 1 2 . 1 1 10 10 SER HA H 10 4.725 4.725 4.747 -0.022 19783 579 1 2 . 1 1 10 10 SER C C 10 171.784 171.784 172.287 -0.503 19783 580 1 2 . 1 1 10 10 SER CA C 10 57.060 57.060 56.732 0.328 19783 581 1 2 . 1 1 10 10 SER CB C 10 65.764 65.764 63.857 1.907 19783 582 1 2 . 1 1 10 10 SER H H 10 8.624 8.624 8.943 -0.319 19783 583 1 2 . 1 1 11 11 LEU N N 11 124.101 124.101 129.003 -4.902 19783 584 1 2 . 1 1 11 11 LEU HA H 11 5.475 5.475 4.618 0.857 19783 585 1 2 . 1 1 11 11 LEU C C 11 175.894 175.894 175.518 0.376 19783 586 1 2 . 1 1 11 11 LEU CA C 11 53.556 53.556 54.450 -0.894 19783 587 1 2 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.220 3.185 19783 588 1 2 . 1 1 11 11 LEU H H 11 8.443 8.443 8.782 -0.339 19783 589 1 2 . 1 1 12 12 LEU N N 12 124.363 124.363 129.125 -4.762 19783 590 1 2 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.716 -0.137 19783 591 1 2 . 1 1 12 12 LEU C C 12 175.708 175.708 175.402 0.306 19783 592 1 2 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.554 0.110 19783 593 1 2 . 1 1 12 12 LEU CB C 12 43.727 43.727 43.241 0.486 19783 594 1 2 . 1 1 12 12 LEU H H 12 8.977 8.977 9.303 -0.326 19783 595 1 2 . 1 1 13 13 LYS N N 13 121.228 121.228 123.722 -2.494 19783 596 1 2 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.429 -0.413 19783 597 1 2 . 1 1 13 13 LYS CA C 13 54.332 54.332 53.833 0.499 19783 598 1 2 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.910 -0.123 19783 599 1 2 . 1 1 13 13 LYS H H 13 8.151 8.151 8.547 -0.396 19783 600 1 2 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.314 0.109 19783 601 1 2 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.666 -0.261 19783 602 1 2 . 1 1 15 15 PRO CB C 15 31.948 31.948 30.322 1.626 19783 603 1 2 . 1 1 16 16 PHE N N 16 123.773 123.773 119.607 4.166 19783 604 1 2 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.185 -0.118 19783 605 1 2 . 1 1 16 16 PHE CA C 16 60.874 60.874 58.656 2.218 19783 606 1 2 . 1 1 16 16 PHE CB C 16 39.063 39.063 38.669 0.394 19783 607 1 2 . 1 1 16 16 PHE H H 16 8.348 8.348 7.891 0.457 19783 608 1 2 . 1 1 19 19 ILE HA H 19 3.764 3.764 3.899 -0.135 19783 609 1 2 . 1 1 19 19 ILE CA C 19 64.709 64.709 62.186 2.523 19783 610 1 2 . 1 1 19 19 ILE CB C 19 38.630 38.630 38.178 0.452 19783 611 1 2 . 1 1 19 19 ILE H H 19 8.268 8.268 8.484 -0.216 19783 612 1 2 . 1 1 20 20 TRP N N 20 119.035 119.035 120.816 -1.781 19783 613 1 2 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.803 0.139 19783 614 1 2 . 1 1 20 20 TRP C C 20 173.974 173.974 175.852 -1.878 19783 615 1 2 . 1 1 20 20 TRP CA C 20 55.508 55.508 55.770 -0.262 19783 616 1 2 . 1 1 20 20 TRP CB C 20 29.892 29.892 30.195 -0.303 19783 617 1 2 . 1 1 20 20 TRP H H 20 8.275 8.275 7.710 0.565 19783 618 1 2 . 1 1 21 21 THR N N 21 122.056 122.056 117.477 4.579 19783 619 1 2 . 1 1 21 21 THR HA H 21 4.585 4.585 4.617 -0.032 19783 620 1 2 . 1 1 21 21 THR CB C 21 70.303 70.303 70.666 -0.363 19783 621 1 2 . 1 1 21 21 THR H H 21 8.470 8.470 8.438 0.032 19783 622 1 2 . 1 1 23 23 GLN N N 23 123.024 123.024 117.215 5.809 19783 623 1 2 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.388 -0.239 19783 624 1 2 . 1 1 23 23 GLN CA C 23 58.179 58.179 56.545 1.634 19783 625 1 2 . 1 1 23 23 GLN CB C 23 26.860 26.860 30.764 -3.904 19783 626 1 2 . 1 1 23 23 GLN H H 23 8.638 8.638 8.041 0.597 19783 627 1 2 . 1 1 24 24 THR N N 24 110.779 110.779 111.847 -1.068 19783 628 1 2 . 1 1 24 24 THR HA H 24 4.785 4.785 4.531 0.254 19783 629 1 2 . 1 1 24 24 THR CA C 24 60.278 60.278 61.173 -0.895 19783 630 1 2 . 1 1 24 24 THR CB C 24 72.143 72.143 69.572 2.571 19783 631 1 2 . 1 1 24 24 THR H H 24 7.402 7.402 7.730 -0.328 19783 632 1 2 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.252 -0.159 19783 633 1 2 . 1 1 25 25 ALA CA C 25 53.882 53.882 51.519 2.363 19783 634 1 2 . 1 1 25 25 ALA CB C 25 19.459 19.459 18.196 1.263 19783 635 1 2 . 1 1 26 26 THR N N 26 116.103 116.103 115.507 0.596 19783 636 1 2 . 1 1 26 26 THR CB C 26 69.894 69.894 69.245 0.649 19783 637 1 2 . 1 1 26 26 THR H H 26 7.874 7.874 7.387 0.487 19783 638 1 2 . 1 1 27 27 ILE HA H 27 3.717 3.717 3.867 -0.150 19783 639 1 2 . 1 1 27 27 ILE CA C 27 60.996 60.996 60.397 0.599 19783 640 1 2 . 1 1 27 27 ILE CB C 27 39.127 39.127 39.671 -0.544 19783 641 1 2 . 1 1 27 27 ILE H H 27 8.853 8.853 8.053 0.800 19783 642 1 2 . 1 1 28 28 VAL N N 28 125.545 125.545 123.034 2.511 19783 643 1 2 . 1 1 28 28 VAL HA H 28 4.651 4.651 4.467 0.184 19783 644 1 2 . 1 1 28 28 VAL C C 28 173.536 173.536 173.802 -0.266 19783 645 1 2 . 1 1 28 28 VAL CA C 28 62.257 62.257 61.466 0.791 19783 646 1 2 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.238 -1.052 19783 647 1 2 . 1 1 28 28 VAL H H 28 7.502 7.502 8.443 -0.941 19783 648 1 2 . 1 1 29 29 CYS N N 29 128.977 128.977 128.460 0.517 19783 649 1 2 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.176 0.006 19783 650 1 2 . 1 1 29 29 CYS C C 29 172.070 172.070 173.369 -1.299 19783 651 1 2 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.636 -3.256 19783 652 1 2 . 1 1 29 29 CYS CB C 29 43.709 43.709 28.372 15.337 19783 653 1 2 . 1 1 29 29 CYS H H 29 9.907 9.907 9.578 0.329 19783 654 1 2 . 1 1 30 30 GLU N N 30 126.688 126.688 129.425 -2.737 19783 655 1 2 . 1 1 30 30 GLU HA H 30 4.852 4.852 5.206 -0.354 19783 656 1 2 . 1 1 30 30 GLU CA C 30 55.742 55.742 55.022 0.720 19783 657 1 2 . 1 1 30 30 GLU CB C 30 32.387 32.387 31.860 0.527 19783 658 1 2 . 1 1 30 30 GLU H H 30 9.217 9.217 8.929 0.288 19783 659 1 2 . 1 1 31 31 ILE N N 31 130.021 130.021 123.983 6.038 19783 660 1 2 . 1 1 31 31 ILE HA H 31 4.944 4.944 4.893 0.051 19783 661 1 2 . 1 1 31 31 ILE C C 31 174.580 174.580 174.220 0.360 19783 662 1 2 . 1 1 31 31 ILE CA C 31 60.795 60.795 59.382 1.413 19783 663 1 2 . 1 1 31 31 ILE CB C 31 40.658 40.658 40.124 0.534 19783 664 1 2 . 1 1 31 31 ILE H H 31 9.119 9.119 9.175 -0.056 19783 665 1 2 . 1 1 32 32 VAL N N 32 127.671 127.671 124.505 3.166 19783 666 1 2 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.802 0.422 19783 667 1 2 . 1 1 32 32 VAL C C 32 176.331 176.331 174.991 1.340 19783 668 1 2 . 1 1 32 32 VAL CA C 32 61.204 61.204 60.026 1.178 19783 669 1 2 . 1 1 32 32 VAL CB C 32 34.236 34.236 33.066 1.170 19783 670 1 2 . 1 1 32 32 VAL H H 32 8.723 8.723 8.670 0.053 19783 671 1 2 . 1 1 33 33 TYR N N 33 125.563 125.563 121.341 4.222 19783 672 1 2 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.422 -0.037 19783 673 1 2 . 1 1 33 33 TYR C C 33 172.424 172.424 173.759 -1.335 19783 674 1 2 . 1 1 33 33 TYR CA C 33 56.468 56.468 55.544 0.924 19783 675 1 2 . 1 1 33 33 TYR CB C 33 41.612 41.612 40.612 1.000 19783 676 1 2 . 1 1 33 33 TYR H H 33 9.114 9.114 8.997 0.117 19783 677 1 2 . 1 1 34 34 SER N N 34 111.556 111.556 115.575 -4.019 19783 678 1 2 . 1 1 34 34 SER HA H 34 4.749 4.749 4.845 -0.096 19783 679 1 2 . 1 1 34 34 SER C C 34 174.108 174.108 174.016 0.092 19783 680 1 2 . 1 1 34 34 SER CA C 34 57.900 57.900 57.287 0.613 19783 681 1 2 . 1 1 34 34 SER CB C 34 65.956 65.956 65.044 0.912 19783 682 1 2 . 1 1 34 34 SER H H 34 8.342 8.342 8.818 -0.476 19783 683 1 2 . 1 1 35 35 ASP N N 35 118.304 118.304 121.465 -3.161 19783 684 1 2 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.422 -0.057 19783 685 1 2 . 1 1 35 35 ASP C C 35 175.018 175.018 175.365 -0.347 19783 686 1 2 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.721 1.080 19783 687 1 2 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.630 -0.273 19783 688 1 2 . 1 1 35 35 ASP H H 35 8.672 8.672 8.796 -0.124 19783 689 1 2 . 1 1 36 36 LEU N N 36 117.764 117.764 117.820 -0.056 19783 690 1 2 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.286 0.238 19783 691 1 2 . 1 1 36 36 LEU C C 36 177.157 177.157 176.792 0.365 19783 692 1 2 . 1 1 36 36 LEU CA C 36 55.171 55.171 53.744 1.427 19783 693 1 2 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.033 0.249 19783 694 1 2 . 1 1 36 36 LEU H H 36 7.357 7.357 7.517 -0.160 19783 695 1 2 . 1 1 37 37 GLU N N 37 120.855 120.855 120.061 0.794 19783 696 1 2 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.347 0.115 19783 697 1 2 . 1 1 37 37 GLU C C 37 176.584 176.584 175.771 0.813 19783 698 1 2 . 1 1 37 37 GLU CA C 37 57.020 57.020 55.033 1.987 19783 699 1 2 . 1 1 37 37 GLU CB C 37 32.512 32.512 31.770 0.743 19783 700 1 2 . 1 1 37 37 GLU H H 37 9.557 9.557 8.610 0.947 19783 701 1 2 . 1 1 38 38 ASN N N 38 122.459 122.459 118.256 4.203 19783 702 1 2 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.506 0.428 19783 703 1 2 . 1 1 38 38 ASN C C 38 174.192 174.192 175.286 -1.094 19783 704 1 2 . 1 1 38 38 ASN CA C 38 52.794 52.794 53.966 -1.172 19783 705 1 2 . 1 1 38 38 ASN CB C 38 40.087 40.087 37.889 2.198 19783 706 1 2 . 1 1 38 38 ASN H H 38 9.124 9.124 8.463 0.661 19783 707 1 2 . 1 1 39 39 ILE N N 39 119.708 119.708 123.598 -3.890 19783 708 1 2 . 1 1 39 39 ILE HA H 39 4.160 4.160 3.913 0.247 19783 709 1 2 . 1 1 39 39 ILE C C 39 176.416 176.416 176.156 0.260 19783 710 1 2 . 1 1 39 39 ILE CA C 39 62.166 62.166 61.706 0.460 19783 711 1 2 . 1 1 39 39 ILE CB C 39 38.218 38.218 38.453 -0.235 19783 712 1 2 . 1 1 39 39 ILE H H 39 7.252 7.252 8.138 -0.886 19783 713 1 2 . 1 1 40 40 LYS N N 40 128.321 128.321 127.233 1.088 19783 714 1 2 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.680 -0.277 19783 715 1 2 . 1 1 40 40 LYS C C 40 173.755 173.755 174.709 -0.954 19783 716 1 2 . 1 1 40 40 LYS CA C 40 55.056 55.056 55.324 -0.268 19783 717 1 2 . 1 1 40 40 LYS CB C 40 36.010 36.010 34.550 1.460 19783 718 1 2 . 1 1 40 40 LYS H H 40 8.760 8.760 8.638 0.122 19783 719 1 2 . 1 1 41 41 VAL N N 41 121.679 121.679 126.538 -4.859 19783 720 1 2 . 1 1 41 41 VAL HA H 41 4.760 4.760 4.823 -0.063 19783 721 1 2 . 1 1 41 41 VAL C C 41 175.405 175.405 174.787 0.618 19783 722 1 2 . 1 1 41 41 VAL CA C 41 60.873 60.873 60.597 0.276 19783 723 1 2 . 1 1 41 41 VAL CB C 41 33.886 33.886 33.728 0.158 19783 724 1 2 . 1 1 41 41 VAL H H 41 7.902 7.902 8.583 -0.681 19783 725 1 2 . 1 1 42 42 PHE N N 42 126.800 126.800 128.448 -1.648 19783 726 1 2 . 1 1 42 42 PHE HA H 42 4.869 4.869 5.027 -0.158 19783 727 1 2 . 1 1 42 42 PHE C C 42 172.340 172.340 173.381 -1.041 19783 728 1 2 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.789 -0.699 19783 729 1 2 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.319 -1.329 19783 730 1 2 . 1 1 42 42 PHE H H 42 9.352 9.352 9.185 0.167 19783 731 1 2 . 1 1 43 43 TRP N N 43 119.314 119.314 124.077 -4.763 19783 732 1 2 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.530 0.205 19783 733 1 2 . 1 1 43 43 TRP C C 43 177.393 177.393 174.114 3.279 19783 734 1 2 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.293 0.603 19783 735 1 2 . 1 1 43 43 TRP CB C 43 32.055 32.055 33.142 -1.087 19783 736 1 2 . 1 1 43 43 TRP H H 43 8.847 8.847 8.055 0.792 19783 737 1 2 . 1 1 44 44 GLN N N 44 118.782 118.782 120.849 -2.067 19783 738 1 2 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.919 0.085 19783 739 1 2 . 1 1 44 44 GLN C C 44 175.035 175.035 173.748 1.287 19783 740 1 2 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.272 -0.109 19783 741 1 2 . 1 1 44 44 GLN CB C 44 33.065 33.065 32.775 0.290 19783 742 1 2 . 1 1 44 44 GLN H H 44 9.376 9.376 8.851 0.525 19783 743 1 2 . 1 1 45 45 VAL N N 45 121.659 121.659 122.951 -1.292 19783 744 1 2 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.635 -0.229 19783 745 1 2 . 1 1 45 45 VAL C C 45 176.921 176.921 174.782 2.139 19783 746 1 2 . 1 1 45 45 VAL CA C 45 61.827 61.827 59.722 2.105 19783 747 1 2 . 1 1 45 45 VAL CB C 45 34.260 34.260 33.514 0.746 19783 748 1 2 . 1 1 45 45 VAL H H 45 8.796 8.796 8.841 -0.045 19783 749 1 2 . 1 1 46 46 ASN N N 46 128.796 128.796 126.626 2.170 19783 750 1 2 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.353 0.030 19783 751 1 2 . 1 1 46 46 ASN C C 46 175.523 175.523 175.277 0.246 19783 752 1 2 . 1 1 46 46 ASN CA C 46 54.279 54.279 54.114 0.165 19783 753 1 2 . 1 1 46 46 ASN CB C 46 37.485 37.485 36.934 0.551 19783 754 1 2 . 1 1 46 46 ASN H H 46 9.628 9.628 8.825 0.803 19783 755 1 2 . 1 1 47 47 GLY N N 47 102.032 102.032 101.780 0.252 19783 756 1 2 . 1 1 47 47 GLY C C 47 173.519 173.519 174.560 -1.041 19783 757 1 2 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.363 0.110 19783 758 1 2 . 1 1 47 47 GLY H H 47 8.820 8.820 8.459 0.361 19783 759 1 2 . 1 1 48 48 VAL N N 48 120.265 120.265 123.690 -3.425 19783 760 1 2 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.174 0.081 19783 761 1 2 . 1 1 48 48 VAL C C 48 175.691 175.691 175.536 0.155 19783 762 1 2 . 1 1 48 48 VAL CA C 48 61.080 61.080 61.418 -0.338 19783 763 1 2 . 1 1 48 48 VAL CB C 48 34.420 34.420 32.869 1.551 19783 764 1 2 . 1 1 48 48 VAL H H 48 7.529 7.529 7.532 -0.003 19783 765 1 2 . 1 1 49 49 GLU N N 49 128.059 128.059 126.494 1.565 19783 766 1 2 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.218 0.519 19783 767 1 2 . 1 1 49 49 GLU C C 49 175.927 175.927 176.223 -0.296 19783 768 1 2 . 1 1 49 49 GLU CA C 49 57.835 57.835 56.851 0.984 19783 769 1 2 . 1 1 49 49 GLU CB C 49 29.551 29.551 30.448 -0.897 19783 770 1 2 . 1 1 49 49 GLU H H 49 8.851 8.851 8.801 0.050 19783 771 1 2 . 1 1 50 50 ARG N N 50 128.391 128.391 125.327 3.064 19783 772 1 2 . 1 1 50 50 ARG CA C 50 54.280 54.280 55.359 -1.079 19783 773 1 2 . 1 1 50 50 ARG CB C 50 32.304 32.304 30.419 1.885 19783 774 1 2 . 1 1 50 50 ARG H H 50 8.704 8.704 7.926 0.778 19783 775 1 2 . 1 1 51 51 LYS N N 51 124.441 124.441 127.405 -2.964 19783 776 1 2 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.115 0.414 19783 777 1 2 . 1 1 51 51 LYS CA C 51 56.868 56.868 56.888 -0.020 19783 778 1 2 . 1 1 51 51 LYS CB C 51 34.604 34.604 33.226 1.378 19783 779 1 2 . 1 1 51 51 LYS H H 51 8.772 8.772 8.541 0.231 19783 780 1 2 . 1 1 52 52 LYS N N 52 122.374 122.374 120.992 1.382 19783 781 1 2 . 1 1 52 52 LYS HA H 52 4.197 4.197 4.040 0.157 19783 782 1 2 . 1 1 52 52 LYS C C 52 176.921 176.921 177.324 -0.403 19783 783 1 2 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.457 0.022 19783 784 1 2 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.441 0.601 19783 785 1 2 . 1 1 52 52 LYS H H 52 7.752 7.752 8.356 -0.604 19783 786 1 2 . 1 1 53 53 GLY N N 53 112.970 112.970 106.349 6.621 19783 787 1 2 . 1 1 53 53 GLY C C 53 173.872 173.872 172.689 1.183 19783 788 1 2 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.691 0.965 19783 789 1 2 . 1 1 53 53 GLY H H 53 8.832 8.832 8.313 0.519 19783 790 1 2 . 1 1 54 54 VAL N N 54 120.474 120.474 121.880 -1.406 19783 791 1 2 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.578 -0.095 19783 792 1 2 . 1 1 54 54 VAL C C 54 176.870 176.870 174.753 2.117 19783 793 1 2 . 1 1 54 54 VAL CA C 54 62.101 62.101 61.567 0.534 19783 794 1 2 . 1 1 54 54 VAL CB C 54 33.587 33.587 33.005 0.582 19783 795 1 2 . 1 1 54 54 VAL H H 54 7.004 7.004 7.602 -0.598 19783 796 1 2 . 1 1 55 55 GLU N N 55 129.276 129.276 129.695 -0.419 19783 797 1 2 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.689 0.028 19783 798 1 2 . 1 1 55 55 GLU C C 55 175.068 175.068 175.190 -0.122 19783 799 1 2 . 1 1 55 55 GLU CA C 55 55.831 55.831 54.697 1.135 19783 800 1 2 . 1 1 55 55 GLU CB C 55 32.917 32.917 31.712 1.205 19783 801 1 2 . 1 1 55 55 GLU H H 55 9.091 9.091 9.125 -0.034 19783 802 1 2 . 1 1 56 56 THR N N 56 126.675 126.675 119.475 7.200 19783 803 1 2 . 1 1 56 56 THR HA H 56 4.881 4.881 4.696 0.185 19783 804 1 2 . 1 1 56 56 THR CA C 56 62.268 62.268 61.131 1.137 19783 805 1 2 . 1 1 56 56 THR CB C 56 69.679 69.679 69.354 0.325 19783 806 1 2 . 1 1 56 56 THR H H 56 9.162 9.162 8.672 0.490 19783 807 1 2 . 1 1 57 57 GLN N N 57 127.368 127.368 125.467 1.901 19783 808 1 2 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.654 -0.265 19783 809 1 2 . 1 1 57 57 GLN C C 57 175.254 175.254 175.344 -0.090 19783 810 1 2 . 1 1 57 57 GLN CA C 57 55.285 55.285 54.638 0.647 19783 811 1 2 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.742 -0.237 19783 812 1 2 . 1 1 57 57 GLN H H 57 8.638 8.638 8.468 0.170 19783 813 1 2 . 1 1 58 58 ASN N N 58 118.031 118.031 118.920 -0.889 19783 814 1 2 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.962 -0.122 19783 815 1 2 . 1 1 58 58 ASN CA C 58 52.081 52.081 51.954 0.127 19783 816 1 2 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.069 -0.777 19783 817 1 2 . 1 1 58 58 ASN H H 58 8.398 8.398 8.516 -0.118 19783 818 1 2 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.879 -0.264 19783 819 1 2 . 1 1 59 59 PRO CA C 59 63.453 63.453 63.004 0.449 19783 820 1 2 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.535 -0.273 19783 821 1 2 . 1 1 60 60 GLU N N 60 122.445 122.445 120.608 1.837 19783 822 1 2 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.429 0.209 19783 823 1 2 . 1 1 60 60 GLU C C 60 175.574 175.574 174.952 0.622 19783 824 1 2 . 1 1 60 60 GLU CA C 60 54.797 54.797 54.700 0.097 19783 825 1 2 . 1 1 60 60 GLU CB C 60 32.614 32.614 31.971 0.643 19783 826 1 2 . 1 1 60 60 GLU H H 60 8.704 8.704 8.895 -0.191 19783 827 1 2 . 1 1 61 61 TRP N N 61 125.833 125.833 121.269 4.564 19783 828 1 2 . 1 1 61 61 TRP HA H 61 5.060 5.060 5.365 -0.305 19783 829 1 2 . 1 1 61 61 TRP C C 61 176.651 176.651 175.901 0.750 19783 830 1 2 . 1 1 61 61 TRP CA C 61 57.163 57.163 55.028 2.135 19783 831 1 2 . 1 1 61 61 TRP CB C 61 30.886 30.886 31.352 -0.466 19783 832 1 2 . 1 1 61 61 TRP H H 61 8.817 8.817 7.500 1.317 19783 833 1 2 . 1 1 62 62 SER N N 62 120.682 120.682 119.977 0.705 19783 834 1 2 . 1 1 62 62 SER HA H 62 4.424 4.424 4.805 -0.381 19783 835 1 2 . 1 1 62 62 SER C C 62 174.614 174.614 175.163 -0.549 19783 836 1 2 . 1 1 62 62 SER CA C 62 57.422 57.422 56.546 0.876 19783 837 1 2 . 1 1 62 62 SER CB C 62 64.113 64.113 63.696 0.417 19783 838 1 2 . 1 1 62 62 SER H H 62 8.551 8.551 8.741 -0.190 19783 839 1 2 . 1 1 63 63 GLY N N 63 112.655 112.655 115.761 -3.106 19783 840 1 2 . 1 1 63 63 GLY CA C 63 46.488 46.488 46.072 0.416 19783 841 1 2 . 1 1 63 63 GLY H H 63 6.895 6.895 8.617 -1.722 19783 842 1 2 . 1 1 64 64 SER HA H 64 4.347 4.347 4.500 -0.153 19783 843 1 2 . 1 1 64 64 SER CA C 64 59.027 59.027 58.780 0.247 19783 844 1 2 . 1 1 64 64 SER CB C 64 63.975 63.975 63.458 0.517 19783 845 1 2 . 1 1 65 65 LYS N N 65 120.463 120.463 122.498 -2.035 19783 846 1 2 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.445 0.038 19783 847 1 2 . 1 1 65 65 LYS C C 65 174.816 174.816 175.202 -0.386 19783 848 1 2 . 1 1 65 65 LYS CA C 65 54.862 54.862 55.831 -0.969 19783 849 1 2 . 1 1 65 65 LYS CB C 65 35.788 35.788 34.025 1.763 19783 850 1 2 . 1 1 65 65 LYS H H 65 7.441 7.441 7.899 -0.458 19783 851 1 2 . 1 1 66 66 SER N N 66 117.984 117.984 116.641 1.343 19783 852 1 2 . 1 1 66 66 SER HA H 66 4.999 4.999 5.353 -0.354 19783 853 1 2 . 1 1 66 66 SER C C 66 172.205 172.205 173.724 -1.519 19783 854 1 2 . 1 1 66 66 SER CA C 66 57.739 57.739 57.230 0.509 19783 855 1 2 . 1 1 66 66 SER CB C 66 64.876 64.876 66.147 -1.271 19783 856 1 2 . 1 1 66 66 SER H H 66 8.522 8.522 8.885 -0.363 19783 857 1 2 . 1 1 67 67 THR N N 67 115.663 115.663 119.616 -3.953 19783 858 1 2 . 1 1 67 67 THR HA H 67 5.608 5.608 4.817 0.791 19783 859 1 2 . 1 1 67 67 THR C C 67 175.102 175.102 172.943 2.159 19783 860 1 2 . 1 1 67 67 THR CA C 67 60.739 60.739 61.799 -1.060 19783 861 1 2 . 1 1 67 67 THR CB C 67 72.013 72.013 70.621 1.392 19783 862 1 2 . 1 1 67 67 THR H H 67 8.354 8.354 9.022 -0.668 19783 863 1 2 . 1 1 68 68 ILE N N 68 127.394 127.394 128.638 -1.244 19783 864 1 2 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.451 -0.148 19783 865 1 2 . 1 1 68 68 ILE C C 68 173.519 173.519 173.842 -0.323 19783 866 1 2 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.251 2.025 19783 867 1 2 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.503 1.624 19783 868 1 2 . 1 1 68 68 ILE H H 68 9.529 9.529 9.020 0.509 19783 869 1 2 . 1 1 69 69 VAL N N 69 125.903 125.903 128.077 -2.174 19783 870 1 2 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.543 0.314 19783 871 1 2 . 1 1 69 69 VAL C C 69 174.917 174.917 174.272 0.645 19783 872 1 2 . 1 1 69 69 VAL CA C 69 61.241 61.241 60.367 0.874 19783 873 1 2 . 1 1 69 69 VAL CB C 69 34.136 34.136 33.357 0.779 19783 874 1 2 . 1 1 69 69 VAL H H 69 7.253 7.253 8.735 -1.482 19783 875 1 2 . 1 1 70 70 SER N N 70 121.681 121.681 126.192 -4.511 19783 876 1 2 . 1 1 70 70 SER HA H 70 5.397 5.397 5.613 -0.216 19783 877 1 2 . 1 1 70 70 SER C C 70 173.047 173.047 173.382 -0.335 19783 878 1 2 . 1 1 70 70 SER CA C 70 56.407 56.407 57.244 -0.837 19783 879 1 2 . 1 1 70 70 SER CB C 70 64.832 64.832 65.558 -0.726 19783 880 1 2 . 1 1 70 70 SER H H 70 9.302 9.302 9.357 -0.055 19783 881 1 2 . 1 1 71 71 LYS N N 71 127.421 127.421 125.495 1.926 19783 882 1 2 . 1 1 71 71 LYS HA H 71 5.360 5.360 4.904 0.456 19783 883 1 2 . 1 1 71 71 LYS C C 71 173.603 173.603 174.395 -0.792 19783 884 1 2 . 1 1 71 71 LYS CA C 71 54.771 54.771 55.183 -0.412 19783 885 1 2 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.595 0.513 19783 886 1 2 . 1 1 71 71 LYS H H 71 9.029 9.029 9.201 -0.172 19783 887 1 2 . 1 1 72 72 LEU N N 72 124.252 124.252 122.270 1.982 19783 888 1 2 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.566 -0.284 19783 889 1 2 . 1 1 72 72 LEU C C 72 174.075 174.075 175.500 -1.425 19783 890 1 2 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.522 0.478 19783 891 1 2 . 1 1 72 72 LEU CB C 72 41.516 41.516 43.543 -2.027 19783 892 1 2 . 1 1 72 72 LEU H H 72 8.407 8.407 8.870 -0.463 19783 893 1 2 . 1 1 73 73 LYS N N 73 128.141 128.141 128.878 -0.737 19783 894 1 2 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.172 0.606 19783 895 1 2 . 1 1 73 73 LYS C C 73 176.331 176.331 174.528 1.803 19783 896 1 2 . 1 1 73 73 LYS CA C 73 55.250 55.250 56.125 -0.875 19783 897 1 2 . 1 1 73 73 LYS CB C 73 33.333 33.333 32.774 0.559 19783 898 1 2 . 1 1 73 73 LYS H H 73 8.090 8.090 8.692 -0.602 19783 899 1 2 . 1 1 74 74 VAL N N 74 121.453 121.453 124.180 -2.727 19783 900 1 2 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.156 0.476 19783 901 1 2 . 1 1 74 74 VAL C C 74 175.590 175.590 174.234 1.356 19783 902 1 2 . 1 1 74 74 VAL CA C 74 58.455 58.455 59.810 -1.355 19783 903 1 2 . 1 1 74 74 VAL CB C 74 35.744 35.744 35.760 -0.016 19783 904 1 2 . 1 1 74 74 VAL H H 74 8.730 8.730 7.966 0.764 19783 905 1 2 . 1 1 75 75 MET N N 75 119.151 119.151 123.017 -3.866 19783 906 1 2 . 1 1 75 75 MET HA H 75 4.560 4.560 4.556 0.004 19783 907 1 2 . 1 1 75 75 MET CA C 75 55.753 55.753 53.532 2.221 19783 908 1 2 . 1 1 75 75 MET CB C 75 32.563 32.563 31.420 1.143 19783 909 1 2 . 1 1 75 75 MET H H 75 8.724 8.724 8.293 0.431 19783 910 1 2 . 1 1 76 76 ALA N N 76 127.351 127.351 128.838 -1.487 19783 911 1 2 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.005 -0.263 19783 912 1 2 . 1 1 76 76 ALA C C 76 178.487 178.487 179.342 -0.855 19783 913 1 2 . 1 1 76 76 ALA CA C 76 55.953 55.953 55.744 0.209 19783 914 1 2 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.340 -0.346 19783 915 1 2 . 1 1 76 76 ALA H H 76 8.460 8.460 8.391 0.069 19783 916 1 2 . 1 1 77 77 SER N N 77 110.202 110.202 112.836 -2.634 19783 917 1 2 . 1 1 77 77 SER HA H 77 4.149 4.149 4.147 0.002 19783 918 1 2 . 1 1 77 77 SER C C 77 176.550 176.550 176.755 -0.205 19783 919 1 2 . 1 1 77 77 SER CA C 77 60.894 60.894 61.955 -1.061 19783 920 1 2 . 1 1 77 77 SER CB C 77 61.996 61.996 62.765 -0.769 19783 921 1 2 . 1 1 77 77 SER H H 77 8.460 8.460 8.542 -0.082 19783 922 1 2 . 1 1 78 78 GLU N N 78 124.828 124.828 123.541 1.287 19783 923 1 2 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.140 0.010 19783 924 1 2 . 1 1 78 78 GLU C C 78 179.599 179.599 178.361 1.238 19783 925 1 2 . 1 1 78 78 GLU CA C 78 59.118 59.118 59.668 -0.550 19783 926 1 2 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.582 1.790 19783 927 1 2 . 1 1 78 78 GLU H H 78 7.336 7.336 7.970 -0.634 19783 928 1 2 . 1 1 79 79 TRP N N 79 123.252 123.252 121.683 1.569 19783 929 1 2 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.378 0.256 19783 930 1 2 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.589 1.206 19783 931 1 2 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.785 -0.317 19783 932 1 2 . 1 1 79 79 TRP H H 79 7.469 7.469 8.405 -0.936 19783 933 1 2 . 1 1 80 80 ASP N N 80 116.114 116.114 118.579 -2.465 19783 934 1 2 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.282 0.011 19783 935 1 2 . 1 1 80 80 ASP C C 80 177.174 177.174 177.516 -0.342 19783 936 1 2 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.620 -0.013 19783 937 1 2 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.664 0.670 19783 938 1 2 . 1 1 80 80 ASP H H 80 8.816 8.816 8.361 0.455 19783 939 1 2 . 1 1 81 81 SER N N 81 112.692 112.692 112.545 0.147 19783 940 1 2 . 1 1 81 81 SER HA H 81 4.338 4.338 4.389 -0.051 19783 941 1 2 . 1 1 81 81 SER C C 81 175.203 175.203 174.673 0.530 19783 942 1 2 . 1 1 81 81 SER CA C 81 59.645 59.645 58.571 1.074 19783 943 1 2 . 1 1 81 81 SER CB C 81 64.055 64.055 63.617 0.438 19783 944 1 2 . 1 1 81 81 SER H H 81 7.393 7.393 7.560 -0.167 19783 945 1 2 . 1 1 82 82 GLY N N 82 108.811 108.811 109.831 -1.020 19783 946 1 2 . 1 1 82 82 GLY C C 82 173.687 173.687 175.092 -1.405 19783 947 1 2 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.680 0.540 19783 948 1 2 . 1 1 82 82 GLY H H 82 7.587 7.587 7.549 0.038 19783 949 1 2 . 1 1 83 83 THR N N 83 116.253 116.253 115.670 0.583 19783 950 1 2 . 1 1 83 83 THR HA H 83 3.668 3.668 4.147 -0.479 19783 951 1 2 . 1 1 83 83 THR C C 83 170.908 170.908 174.830 -3.922 19783 952 1 2 . 1 1 83 83 THR CA C 83 63.674 63.674 63.773 -0.099 19783 953 1 2 . 1 1 83 83 THR CB C 83 70.037 70.037 70.140 -0.103 19783 954 1 2 . 1 1 83 83 THR H H 83 6.788 6.788 7.608 -0.820 19783 955 1 2 . 1 1 84 84 GLU N N 84 124.967 124.967 125.862 -0.895 19783 956 1 2 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.543 0.134 19783 957 1 2 . 1 1 84 84 GLU C C 84 174.462 174.462 175.705 -1.243 19783 958 1 2 . 1 1 84 84 GLU CA C 84 55.508 55.508 56.360 -0.852 19783 959 1 2 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.825 1.219 19783 960 1 2 . 1 1 84 84 GLU H H 84 8.006 8.006 8.542 -0.536 19783 961 1 2 . 1 1 85 85 TYR N N 85 127.327 127.327 122.221 5.106 19783 962 1 2 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.174 -0.225 19783 963 1 2 . 1 1 85 85 TYR C C 85 174.563 174.563 174.414 0.149 19783 964 1 2 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.541 0.908 19783 965 1 2 . 1 1 85 85 TYR CB C 85 41.291 41.291 42.467 -1.176 19783 966 1 2 . 1 1 85 85 TYR H H 85 8.993 8.993 8.166 0.827 19783 967 1 2 . 1 1 86 86 VAL N N 86 121.985 121.985 122.146 -0.161 19783 968 1 2 . 1 1 86 86 VAL HA H 86 4.884 4.884 4.798 0.086 19783 969 1 2 . 1 1 86 86 VAL C C 86 173.822 173.822 173.708 0.114 19783 970 1 2 . 1 1 86 86 VAL CA C 86 60.701 60.701 60.312 0.389 19783 971 1 2 . 1 1 86 86 VAL CB C 86 35.536 35.536 35.487 0.049 19783 972 1 2 . 1 1 86 86 VAL H H 86 8.873 8.873 8.937 -0.064 19783 973 1 2 . 1 1 87 87 CYS N N 87 127.376 127.376 126.094 1.282 19783 974 1 2 . 1 1 87 87 CYS HA H 87 3.909 3.909 4.639 -0.730 19783 975 1 2 . 1 1 87 87 CYS C C 87 171.211 171.211 173.288 -2.077 19783 976 1 2 . 1 1 87 87 CYS CA C 87 52.879 52.879 56.119 -3.240 19783 977 1 2 . 1 1 87 87 CYS CB C 87 44.008 44.008 27.018 16.990 19783 978 1 2 . 1 1 87 87 CYS H H 87 8.312 8.312 8.915 -0.603 19783 979 1 2 . 1 1 88 88 LEU N N 88 127.118 127.118 130.051 -2.933 19783 980 1 2 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.621 -0.675 19783 981 1 2 . 1 1 88 88 LEU C C 88 173.957 173.957 175.570 -1.613 19783 982 1 2 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.493 1.011 19783 983 1 2 . 1 1 88 88 LEU CB C 88 45.537 45.537 45.790 -0.253 19783 984 1 2 . 1 1 88 88 LEU H H 88 8.837 8.837 9.098 -0.261 19783 985 1 2 . 1 1 89 89 VAL N N 89 120.421 120.421 121.447 -1.026 19783 986 1 2 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.770 0.094 19783 987 1 2 . 1 1 89 89 VAL C C 89 174.580 174.580 174.407 0.173 19783 988 1 2 . 1 1 89 89 VAL CA C 89 60.421 60.421 60.987 -0.566 19783 989 1 2 . 1 1 89 89 VAL CB C 89 34.505 34.505 34.623 -0.118 19783 990 1 2 . 1 1 89 89 VAL H H 89 8.687 8.687 9.070 -0.383 19783 991 1 2 . 1 1 90 90 GLU N N 90 122.482 122.482 124.925 -2.443 19783 992 1 2 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.824 -0.001 19783 993 1 2 . 1 1 90 90 GLU C C 90 174.664 174.664 173.980 0.684 19783 994 1 2 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.239 -0.037 19783 995 1 2 . 1 1 90 90 GLU CB C 90 34.685 34.685 33.538 1.147 19783 996 1 2 . 1 1 90 90 GLU H H 90 8.551 8.551 8.910 -0.359 19783 997 1 2 . 1 1 91 91 ASP N N 91 119.348 119.348 120.774 -1.426 19783 998 1 2 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.898 -0.154 19783 999 1 2 . 1 1 91 91 ASP C C 91 176.921 176.921 176.830 0.091 19783 1000 1 2 . 1 1 91 91 ASP CA C 91 54.603 54.603 52.230 2.373 19783 1001 1 2 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.593 3.965 19783 1002 1 2 . 1 1 91 91 ASP H H 91 7.980 7.980 8.432 -0.453 19783 1003 1 2 . 1 1 92 92 SER N N 92 121.504 121.504 117.973 3.531 19783 1004 1 2 . 1 1 92 92 SER HA H 92 4.158 4.158 4.193 -0.035 19783 1005 1 2 . 1 1 92 92 SER C C 92 175.574 175.574 175.406 0.168 19783 1006 1 2 . 1 1 92 92 SER CA C 92 61.803 61.803 61.033 0.770 19783 1007 1 2 . 1 1 92 92 SER CB C 92 62.911 62.911 63.132 -0.221 19783 1008 1 2 . 1 1 92 92 SER H H 92 7.973 7.973 8.904 -0.931 19783 1009 1 2 . 1 1 93 93 GLU N N 93 121.008 121.008 118.434 2.574 19783 1010 1 2 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.295 -0.006 19783 1011 1 2 . 1 1 93 93 GLU C C 93 176.517 176.517 176.340 0.177 19783 1012 1 2 . 1 1 93 93 GLU CA C 93 56.610 56.610 55.309 1.301 19783 1013 1 2 . 1 1 93 93 GLU CB C 93 29.975 29.975 29.851 0.124 19783 1014 1 2 . 1 1 93 93 GLU H H 93 9.782 9.782 8.096 1.686 19783 1015 1 2 . 1 1 94 94 LEU N N 94 121.375 121.375 122.577 -1.202 19783 1016 1 2 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.613 0.172 19783 1017 1 2 . 1 1 94 94 LEU CA C 94 51.759 51.759 52.398 -0.639 19783 1018 1 2 . 1 1 94 94 LEU CB C 94 42.854 42.854 42.341 0.513 19783 1019 1 2 . 1 1 94 94 LEU H H 94 7.802 7.802 7.388 0.414 19783 1020 1 2 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.371 -0.087 19783 1021 1 2 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.802 1.005 19783 1022 1 2 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.156 0.145 19783 1023 1 2 . 1 1 96 96 THR N N 96 109.657 109.657 109.957 -0.300 19783 1024 1 2 . 1 1 96 96 THR HA H 96 4.499 4.499 4.670 -0.171 19783 1025 1 2 . 1 1 96 96 THR CA C 96 58.673 58.673 58.535 0.139 19783 1026 1 2 . 1 1 96 96 THR CB C 96 70.994 70.994 70.790 0.204 19783 1027 1 2 . 1 1 96 96 THR H H 96 7.094 7.094 7.536 -0.442 19783 1028 1 2 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.764 -0.018 19783 1029 1 2 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.455 0.839 19783 1030 1 2 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.426 0.543 19783 1031 1 2 . 1 1 98 98 VAL N N 98 122.997 122.997 121.290 1.707 19783 1032 1 2 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.445 -0.237 19783 1033 1 2 . 1 1 98 98 VAL C C 98 173.923 173.923 173.971 -0.048 19783 1034 1 2 . 1 1 98 98 VAL CA C 98 61.972 61.972 59.633 2.339 19783 1035 1 2 . 1 1 98 98 VAL CB C 98 33.468 33.468 35.292 -1.824 19783 1036 1 2 . 1 1 98 98 VAL H H 98 8.358 8.358 8.829 -0.471 19783 1037 1 2 . 1 1 99 99 LYS N N 99 122.194 122.194 124.026 -1.832 19783 1038 1 2 . 1 1 99 99 LYS HA H 99 5.482 5.482 5.596 -0.114 19783 1039 1 2 . 1 1 99 99 LYS C C 99 174.984 174.984 174.668 0.316 19783 1040 1 2 . 1 1 99 99 LYS CA C 99 54.322 54.322 53.742 0.580 19783 1041 1 2 . 1 1 99 99 LYS CB C 99 37.320 37.320 36.141 1.179 19783 1042 1 2 . 1 1 99 99 LYS H H 99 8.340 8.340 8.205 0.135 19783 1043 1 2 . 1 1 100 100 ALA N N 100 123.875 123.875 122.456 1.419 19783 1044 1 2 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.566 0.072 19783 1045 1 2 . 1 1 100 100 ALA C C 100 174.243 174.243 174.885 -0.642 19783 1046 1 2 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.604 -0.212 19783 1047 1 2 . 1 1 100 100 ALA CB C 100 23.012 23.012 21.318 1.694 19783 1048 1 2 . 1 1 100 100 ALA H H 100 8.600 8.600 8.491 0.109 19783 1049 1 2 . 1 1 101 101 SER N N 101 114.189 114.189 116.262 -2.073 19783 1050 1 2 . 1 1 101 101 SER HA H 101 5.761 5.761 5.614 0.147 19783 1051 1 2 . 1 1 101 101 SER C C 101 173.519 173.519 173.796 -0.277 19783 1052 1 2 . 1 1 101 101 SER CA C 101 56.346 56.346 56.286 0.060 19783 1053 1 2 . 1 1 101 101 SER CB C 101 67.504 67.504 65.435 2.069 19783 1054 1 2 . 1 1 101 101 SER H H 101 8.367 8.367 8.384 -0.017 19783 1055 1 2 . 1 1 102 102 ILE N N 102 121.742 121.742 123.751 -2.009 19783 1056 1 2 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.562 0.216 19783 1057 1 2 . 1 1 102 102 ILE C C 102 170.824 170.824 173.927 -3.103 19783 1058 1 2 . 1 1 102 102 ILE CA C 102 61.198 61.198 59.649 1.549 19783 1059 1 2 . 1 1 102 102 ILE CB C 102 41.820 41.820 41.996 -0.176 19783 1060 1 2 . 1 1 102 102 ILE H H 102 9.317 9.317 9.198 0.119 19783 1061 1 2 . 1 1 103 103 ARG N N 103 120.111 120.111 125.132 -5.021 19783 1062 1 2 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.709 -0.128 19783 1063 1 2 . 1 1 103 103 ARG C C 103 174.411 174.411 174.614 -0.203 19783 1064 1 2 . 1 1 103 103 ARG CA C 103 54.474 54.474 54.454 0.020 19783 1065 1 2 . 1 1 103 103 ARG CB C 103 34.589 34.589 32.650 1.939 19783 1066 1 2 . 1 1 103 103 ARG H H 103 7.525 7.525 8.320 -0.795 19783 1067 1 2 . 1 1 104 104 LYS N N 104 126.177 126.177 122.996 3.181 19783 1068 1 2 . 1 1 104 104 LYS HA H 104 3.614 3.614 4.057 -0.443 19783 1069 1 2 . 1 1 104 104 LYS C C 104 175.287 175.287 175.233 0.054 19783 1070 1 2 . 1 1 104 104 LYS CA C 104 58.288 58.288 56.204 2.084 19783 1071 1 2 . 1 1 104 104 LYS CB C 104 32.169 32.169 30.955 1.214 19783 1072 1 2 . 1 1 104 104 LYS H H 104 9.077 9.077 8.159 0.918 19783 1073 1 3 . 1 1 2 2 GLY CA C 2 43.533 43.533 44.913 -1.380 19783 1074 1 3 . 1 1 3 3 ARG HA H 3 4.368 4.368 3.973 0.395 19783 1075 1 3 . 1 1 3 3 ARG CA C 3 56.394 56.394 56.602 -0.208 19783 1076 1 3 . 1 1 3 3 ARG CB C 3 31.358 31.358 29.565 1.793 19783 1077 1 3 . 1 1 4 4 GLN N N 4 122.771 122.771 119.455 3.316 19783 1078 1 3 . 1 1 4 4 GLN HA H 4 4.393 4.393 4.440 -0.047 19783 1079 1 3 . 1 1 4 4 GLN C C 4 175.843 175.843 176.096 -0.253 19783 1080 1 3 . 1 1 4 4 GLN CA C 4 56.155 56.155 55.703 0.452 19783 1081 1 3 . 1 1 4 4 GLN CB C 4 29.413 29.413 29.679 -0.266 19783 1082 1 3 . 1 1 4 4 GLN H H 4 8.899 8.899 8.065 0.834 19783 1083 1 3 . 1 1 5 5 THR N N 5 115.866 115.866 122.404 -6.538 19783 1084 1 3 . 1 1 5 5 THR HA H 5 4.276 4.276 4.275 0.001 19783 1085 1 3 . 1 1 5 5 THR C C 5 173.957 173.957 174.141 -0.184 19783 1086 1 3 . 1 1 5 5 THR CA C 5 62.295 62.295 62.236 0.059 19783 1087 1 3 . 1 1 5 5 THR CB C 5 69.957 69.957 68.749 1.208 19783 1088 1 3 . 1 1 5 5 THR H H 5 8.063 8.063 8.543 -0.480 19783 1089 1 3 . 1 1 6 6 ASP N N 6 124.653 124.653 130.649 -5.996 19783 1090 1 3 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.824 -0.074 19783 1091 1 3 . 1 1 6 6 ASP C C 6 174.159 174.159 174.259 -0.100 19783 1092 1 3 . 1 1 6 6 ASP CA C 6 54.022 54.022 54.071 -0.049 19783 1093 1 3 . 1 1 6 6 ASP CB C 6 41.741 41.741 42.021 -0.280 19783 1094 1 3 . 1 1 6 6 ASP H H 6 8.499 8.499 8.181 0.318 19783 1095 1 3 . 1 1 7 7 ILE N N 7 119.741 119.741 125.957 -6.216 19783 1096 1 3 . 1 1 7 7 ILE HA H 7 4.992 4.992 4.533 0.459 19783 1097 1 3 . 1 1 7 7 ILE C C 7 173.334 173.334 174.437 -1.103 19783 1098 1 3 . 1 1 7 7 ILE CA C 7 60.213 60.213 60.077 0.137 19783 1099 1 3 . 1 1 7 7 ILE CB C 7 40.206 40.206 40.052 0.154 19783 1100 1 3 . 1 1 7 7 ILE H H 7 7.799 7.799 8.308 -0.509 19783 1101 1 3 . 1 1 8 8 SER N N 8 121.920 121.920 126.183 -4.263 19783 1102 1 3 . 1 1 8 8 SER HA H 8 4.694 4.694 4.817 -0.123 19783 1103 1 3 . 1 1 8 8 SER C C 8 172.508 172.508 172.449 0.059 19783 1104 1 3 . 1 1 8 8 SER CA C 8 56.801 56.801 57.492 -0.691 19783 1105 1 3 . 1 1 8 8 SER CB C 8 65.356 65.356 63.692 1.664 19783 1106 1 3 . 1 1 8 8 SER H H 8 8.850 8.850 8.816 0.034 19783 1107 1 3 . 1 1 9 9 VAL N N 9 125.845 125.845 127.567 -1.722 19783 1108 1 3 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.697 -0.088 19783 1109 1 3 . 1 1 9 9 VAL C C 9 174.647 174.647 174.837 -0.190 19783 1110 1 3 . 1 1 9 9 VAL CA C 9 61.730 61.730 60.083 1.647 19783 1111 1 3 . 1 1 9 9 VAL CB C 9 34.372 34.372 33.151 1.221 19783 1112 1 3 . 1 1 9 9 VAL H H 9 8.452 8.452 8.469 -0.017 19783 1113 1 3 . 1 1 10 10 SER N N 10 121.312 121.312 125.792 -4.480 19783 1114 1 3 . 1 1 10 10 SER HA H 10 4.725 4.725 4.840 -0.115 19783 1115 1 3 . 1 1 10 10 SER C C 10 171.784 171.784 172.735 -0.951 19783 1116 1 3 . 1 1 10 10 SER CA C 10 57.060 57.060 57.118 -0.058 19783 1117 1 3 . 1 1 10 10 SER CB C 10 65.764 65.764 65.623 0.141 19783 1118 1 3 . 1 1 10 10 SER H H 10 8.624 8.624 9.024 -0.400 19783 1119 1 3 . 1 1 11 11 LEU N N 11 124.101 124.101 126.750 -2.649 19783 1120 1 3 . 1 1 11 11 LEU HA H 11 5.475 5.475 4.925 0.550 19783 1121 1 3 . 1 1 11 11 LEU C C 11 175.894 175.894 176.238 -0.344 19783 1122 1 3 . 1 1 11 11 LEU CA C 11 53.556 53.556 54.024 -0.468 19783 1123 1 3 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.340 3.065 19783 1124 1 3 . 1 1 11 11 LEU H H 11 8.443 8.443 8.773 -0.330 19783 1125 1 3 . 1 1 12 12 LEU N N 12 124.363 124.363 127.193 -2.830 19783 1126 1 3 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.751 -0.172 19783 1127 1 3 . 1 1 12 12 LEU C C 12 175.708 175.708 174.954 0.754 19783 1128 1 3 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.702 -0.038 19783 1129 1 3 . 1 1 12 12 LEU CB C 12 43.727 43.727 44.323 -0.596 19783 1130 1 3 . 1 1 12 12 LEU H H 12 8.977 8.977 9.281 -0.304 19783 1131 1 3 . 1 1 13 13 LYS N N 13 121.228 121.228 126.299 -5.071 19783 1132 1 3 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.248 -0.232 19783 1133 1 3 . 1 1 13 13 LYS CA C 13 54.332 54.332 53.911 0.421 19783 1134 1 3 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.551 0.236 19783 1135 1 3 . 1 1 13 13 LYS H H 13 8.151 8.151 8.359 -0.208 19783 1136 1 3 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.030 0.393 19783 1137 1 3 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.728 -0.323 19783 1138 1 3 . 1 1 15 15 PRO CB C 15 31.948 31.948 32.103 -0.155 19783 1139 1 3 . 1 1 16 16 PHE N N 16 123.773 123.773 122.898 0.875 19783 1140 1 3 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.753 -0.686 19783 1141 1 3 . 1 1 16 16 PHE CA C 16 60.874 60.874 56.981 3.893 19783 1142 1 3 . 1 1 16 16 PHE CB C 16 39.063 39.063 39.046 0.017 19783 1143 1 3 . 1 1 16 16 PHE H H 16 8.348 8.348 8.390 -0.042 19783 1144 1 3 . 1 1 19 19 ILE HA H 19 3.764 3.764 3.966 -0.202 19783 1145 1 3 . 1 1 19 19 ILE CA C 19 64.709 64.709 62.592 2.117 19783 1146 1 3 . 1 1 19 19 ILE CB C 19 38.630 38.630 38.111 0.519 19783 1147 1 3 . 1 1 19 19 ILE H H 19 8.268 8.268 8.041 0.227 19783 1148 1 3 . 1 1 20 20 TRP N N 20 119.035 119.035 120.368 -1.333 19783 1149 1 3 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.973 -0.031 19783 1150 1 3 . 1 1 20 20 TRP C C 20 173.974 173.974 175.112 -1.138 19783 1151 1 3 . 1 1 20 20 TRP CA C 20 55.508 55.508 56.554 -1.046 19783 1152 1 3 . 1 1 20 20 TRP CB C 20 29.892 29.892 31.258 -1.366 19783 1153 1 3 . 1 1 20 20 TRP H H 20 8.275 8.275 7.609 0.666 19783 1154 1 3 . 1 1 21 21 THR N N 21 122.056 122.056 114.600 7.456 19783 1155 1 3 . 1 1 21 21 THR HA H 21 4.585 4.585 4.694 -0.109 19783 1156 1 3 . 1 1 21 21 THR CB C 21 70.303 70.303 70.322 -0.019 19783 1157 1 3 . 1 1 21 21 THR H H 21 8.470 8.470 8.103 0.367 19783 1158 1 3 . 1 1 23 23 GLN N N 23 123.024 123.024 118.597 4.427 19783 1159 1 3 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.224 -0.075 19783 1160 1 3 . 1 1 23 23 GLN CA C 23 58.179 58.179 57.470 0.709 19783 1161 1 3 . 1 1 23 23 GLN CB C 23 26.860 26.860 28.934 -2.074 19783 1162 1 3 . 1 1 23 23 GLN H H 23 8.638 8.638 8.781 -0.143 19783 1163 1 3 . 1 1 24 24 THR N N 24 110.779 110.779 109.418 1.361 19783 1164 1 3 . 1 1 24 24 THR HA H 24 4.785 4.785 4.405 0.380 19783 1165 1 3 . 1 1 24 24 THR CA C 24 60.278 60.278 61.280 -1.002 19783 1166 1 3 . 1 1 24 24 THR CB C 24 72.143 72.143 69.694 2.449 19783 1167 1 3 . 1 1 24 24 THR H H 24 7.402 7.402 7.616 -0.214 19783 1168 1 3 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.137 -0.044 19783 1169 1 3 . 1 1 25 25 ALA CA C 25 53.882 53.882 51.853 2.029 19783 1170 1 3 . 1 1 25 25 ALA CB C 25 19.459 19.459 17.773 1.686 19783 1171 1 3 . 1 1 26 26 THR N N 26 116.103 116.103 115.792 0.311 19783 1172 1 3 . 1 1 26 26 THR CB C 26 69.894 69.894 69.176 0.718 19783 1173 1 3 . 1 1 26 26 THR H H 26 7.874 7.874 7.422 0.452 19783 1174 1 3 . 1 1 27 27 ILE HA H 27 3.717 3.717 3.930 -0.213 19783 1175 1 3 . 1 1 27 27 ILE CA C 27 60.996 60.996 58.567 2.429 19783 1176 1 3 . 1 1 27 27 ILE CB C 27 39.127 39.127 38.172 0.955 19783 1177 1 3 . 1 1 27 27 ILE H H 27 8.853 8.853 8.220 0.633 19783 1178 1 3 . 1 1 28 28 VAL N N 28 125.545 125.545 124.423 1.122 19783 1179 1 3 . 1 1 28 28 VAL HA H 28 4.651 4.651 4.521 0.130 19783 1180 1 3 . 1 1 28 28 VAL C C 28 173.536 173.536 173.807 -0.271 19783 1181 1 3 . 1 1 28 28 VAL CA C 28 62.257 62.257 61.564 0.693 19783 1182 1 3 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.290 -1.104 19783 1183 1 3 . 1 1 28 28 VAL H H 28 7.502 7.502 8.471 -0.969 19783 1184 1 3 . 1 1 29 29 CYS N N 29 128.977 128.977 128.885 0.092 19783 1185 1 3 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.447 -0.266 19783 1186 1 3 . 1 1 29 29 CYS C C 29 172.070 172.070 173.302 -1.232 19783 1187 1 3 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.095 -2.714 19783 1188 1 3 . 1 1 29 29 CYS CB C 29 43.709 43.709 28.877 14.832 19783 1189 1 3 . 1 1 29 29 CYS H H 29 9.907 9.907 9.612 0.295 19783 1190 1 3 . 1 1 30 30 GLU N N 30 126.688 126.688 129.518 -2.830 19783 1191 1 3 . 1 1 30 30 GLU HA H 30 4.852 4.852 5.029 -0.177 19783 1192 1 3 . 1 1 30 30 GLU CA C 30 55.742 55.742 54.818 0.924 19783 1193 1 3 . 1 1 30 30 GLU CB C 30 32.387 32.387 32.030 0.357 19783 1194 1 3 . 1 1 30 30 GLU H H 30 9.217 9.217 9.060 0.157 19783 1195 1 3 . 1 1 31 31 ILE N N 31 130.021 130.021 121.353 8.668 19783 1196 1 3 . 1 1 31 31 ILE HA H 31 4.944 4.944 5.490 -0.546 19783 1197 1 3 . 1 1 31 31 ILE C C 31 174.580 174.580 173.306 1.274 19783 1198 1 3 . 1 1 31 31 ILE CA C 31 60.795 60.795 58.334 2.461 19783 1199 1 3 . 1 1 31 31 ILE CB C 31 40.658 40.658 40.674 -0.016 19783 1200 1 3 . 1 1 31 31 ILE H H 31 9.119 9.119 9.172 -0.053 19783 1201 1 3 . 1 1 32 32 VAL N N 32 127.671 127.671 126.141 1.530 19783 1202 1 3 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.843 0.381 19783 1203 1 3 . 1 1 32 32 VAL C C 32 176.331 176.331 173.351 2.980 19783 1204 1 3 . 1 1 32 32 VAL CA C 32 61.204 61.204 58.403 2.801 19783 1205 1 3 . 1 1 32 32 VAL CB C 32 34.236 34.236 34.837 -0.601 19783 1206 1 3 . 1 1 32 32 VAL H H 32 8.723 8.723 8.419 0.304 19783 1207 1 3 . 1 1 33 33 TYR N N 33 125.563 125.563 123.009 2.554 19783 1208 1 3 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.367 0.018 19783 1209 1 3 . 1 1 33 33 TYR C C 33 172.424 172.424 173.561 -1.137 19783 1210 1 3 . 1 1 33 33 TYR CA C 33 56.468 56.468 55.103 1.365 19783 1211 1 3 . 1 1 33 33 TYR CB C 33 41.612 41.612 40.486 1.126 19783 1212 1 3 . 1 1 33 33 TYR H H 33 9.114 9.114 9.004 0.110 19783 1213 1 3 . 1 1 34 34 SER N N 34 111.556 111.556 114.771 -3.215 19783 1214 1 3 . 1 1 34 34 SER HA H 34 4.749 4.749 4.750 -0.001 19783 1215 1 3 . 1 1 34 34 SER C C 34 174.108 174.108 174.441 -0.333 19783 1216 1 3 . 1 1 34 34 SER CA C 34 57.900 57.900 57.354 0.546 19783 1217 1 3 . 1 1 34 34 SER CB C 34 65.956 65.956 66.337 -0.381 19783 1218 1 3 . 1 1 34 34 SER H H 34 8.342 8.342 8.710 -0.368 19783 1219 1 3 . 1 1 35 35 ASP N N 35 118.304 118.304 119.109 -0.805 19783 1220 1 3 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.463 -0.098 19783 1221 1 3 . 1 1 35 35 ASP C C 35 175.018 175.018 175.927 -0.909 19783 1222 1 3 . 1 1 35 35 ASP CA C 35 56.801 56.801 56.045 0.756 19783 1223 1 3 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.403 -0.046 19783 1224 1 3 . 1 1 35 35 ASP H H 35 8.672 8.672 8.919 -0.247 19783 1225 1 3 . 1 1 36 36 LEU N N 36 117.764 117.764 118.118 -0.354 19783 1226 1 3 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.364 0.160 19783 1227 1 3 . 1 1 36 36 LEU C C 36 177.157 177.157 176.566 0.591 19783 1228 1 3 . 1 1 36 36 LEU CA C 36 55.171 55.171 54.322 0.849 19783 1229 1 3 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.146 0.137 19783 1230 1 3 . 1 1 36 36 LEU H H 36 7.357 7.357 7.700 -0.343 19783 1231 1 3 . 1 1 37 37 GLU N N 37 120.855 120.855 119.317 1.538 19783 1232 1 3 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.533 -0.071 19783 1233 1 3 . 1 1 37 37 GLU C C 37 176.584 176.584 174.974 1.610 19783 1234 1 3 . 1 1 37 37 GLU CA C 37 57.020 57.020 54.227 2.793 19783 1235 1 3 . 1 1 37 37 GLU CB C 37 32.512 32.512 31.326 1.186 19783 1236 1 3 . 1 1 37 37 GLU H H 37 9.557 9.557 8.773 0.784 19783 1237 1 3 . 1 1 38 38 ASN N N 38 122.459 122.459 118.384 4.075 19783 1238 1 3 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.553 0.381 19783 1239 1 3 . 1 1 38 38 ASN C C 38 174.192 174.192 175.456 -1.264 19783 1240 1 3 . 1 1 38 38 ASN CA C 38 52.794 52.794 53.706 -0.912 19783 1241 1 3 . 1 1 38 38 ASN CB C 38 40.087 40.087 38.001 2.087 19783 1242 1 3 . 1 1 38 38 ASN H H 38 9.124 9.124 8.497 0.627 19783 1243 1 3 . 1 1 39 39 ILE N N 39 119.708 119.708 123.023 -3.315 19783 1244 1 3 . 1 1 39 39 ILE HA H 39 4.160 4.160 4.210 -0.050 19783 1245 1 3 . 1 1 39 39 ILE C C 39 176.416 176.416 176.021 0.395 19783 1246 1 3 . 1 1 39 39 ILE CA C 39 62.166 62.166 60.805 1.361 19783 1247 1 3 . 1 1 39 39 ILE CB C 39 38.218 38.218 39.194 -0.976 19783 1248 1 3 . 1 1 39 39 ILE H H 39 7.252 7.252 8.162 -0.910 19783 1249 1 3 . 1 1 40 40 LYS N N 40 128.321 128.321 126.710 1.611 19783 1250 1 3 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.617 -0.214 19783 1251 1 3 . 1 1 40 40 LYS C C 40 173.755 173.755 174.814 -1.059 19783 1252 1 3 . 1 1 40 40 LYS CA C 40 55.056 55.056 55.329 -0.273 19783 1253 1 3 . 1 1 40 40 LYS CB C 40 36.010 36.010 33.941 2.069 19783 1254 1 3 . 1 1 40 40 LYS H H 40 8.760 8.760 8.555 0.205 19783 1255 1 3 . 1 1 41 41 VAL N N 41 121.679 121.679 126.512 -4.833 19783 1256 1 3 . 1 1 41 41 VAL HA H 41 4.760 4.760 5.083 -0.323 19783 1257 1 3 . 1 1 41 41 VAL C C 41 175.405 175.405 175.303 0.102 19783 1258 1 3 . 1 1 41 41 VAL CA C 41 60.873 60.873 60.885 -0.012 19783 1259 1 3 . 1 1 41 41 VAL CB C 41 33.886 33.886 33.615 0.271 19783 1260 1 3 . 1 1 41 41 VAL H H 41 7.902 7.902 8.501 -0.599 19783 1261 1 3 . 1 1 42 42 PHE N N 42 126.800 126.800 126.948 -0.148 19783 1262 1 3 . 1 1 42 42 PHE HA H 42 4.869 4.869 5.011 -0.142 19783 1263 1 3 . 1 1 42 42 PHE C C 42 172.340 172.340 173.727 -1.387 19783 1264 1 3 . 1 1 42 42 PHE CA C 42 56.090 56.090 55.468 0.622 19783 1265 1 3 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.253 -1.263 19783 1266 1 3 . 1 1 42 42 PHE H H 42 9.352 9.352 9.131 0.221 19783 1267 1 3 . 1 1 43 43 TRP N N 43 119.314 119.314 123.446 -4.132 19783 1268 1 3 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.820 -0.085 19783 1269 1 3 . 1 1 43 43 TRP C C 43 177.393 177.393 175.047 2.346 19783 1270 1 3 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.808 0.088 19783 1271 1 3 . 1 1 43 43 TRP CB C 43 32.055 32.055 33.217 -1.162 19783 1272 1 3 . 1 1 43 43 TRP H H 43 8.847 8.847 8.825 0.022 19783 1273 1 3 . 1 1 44 44 GLN N N 44 118.782 118.782 120.411 -1.629 19783 1274 1 3 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.668 0.336 19783 1275 1 3 . 1 1 44 44 GLN C C 44 175.035 175.035 174.267 0.768 19783 1276 1 3 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.589 -0.426 19783 1277 1 3 . 1 1 44 44 GLN CB C 44 33.065 33.065 31.959 1.107 19783 1278 1 3 . 1 1 44 44 GLN H H 44 9.376 9.376 8.282 1.094 19783 1279 1 3 . 1 1 45 45 VAL N N 45 121.659 121.659 123.627 -1.968 19783 1280 1 3 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.659 -0.253 19783 1281 1 3 . 1 1 45 45 VAL C C 45 176.921 176.921 175.637 1.284 19783 1282 1 3 . 1 1 45 45 VAL CA C 45 61.827 61.827 60.378 1.449 19783 1283 1 3 . 1 1 45 45 VAL CB C 45 34.260 34.260 33.802 0.458 19783 1284 1 3 . 1 1 45 45 VAL H H 45 8.796 8.796 8.441 0.355 19783 1285 1 3 . 1 1 46 46 ASN N N 46 128.796 128.796 126.852 1.944 19783 1286 1 3 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.260 0.123 19783 1287 1 3 . 1 1 46 46 ASN C C 46 175.523 175.523 175.926 -0.403 19783 1288 1 3 . 1 1 46 46 ASN CA C 46 54.279 54.279 54.237 0.042 19783 1289 1 3 . 1 1 46 46 ASN CB C 46 37.485 37.485 36.725 0.760 19783 1290 1 3 . 1 1 46 46 ASN H H 46 9.628 9.628 9.409 0.219 19783 1291 1 3 . 1 1 47 47 GLY N N 47 102.032 102.032 104.489 -2.457 19783 1292 1 3 . 1 1 47 47 GLY C C 47 173.519 173.519 173.715 -0.196 19783 1293 1 3 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.735 -0.262 19783 1294 1 3 . 1 1 47 47 GLY H H 47 8.820 8.820 8.759 0.061 19783 1295 1 3 . 1 1 48 48 VAL N N 48 120.265 120.265 121.715 -1.450 19783 1296 1 3 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.377 -0.122 19783 1297 1 3 . 1 1 48 48 VAL C C 48 175.691 175.691 174.512 1.179 19783 1298 1 3 . 1 1 48 48 VAL CA C 48 61.080 61.080 59.536 1.544 19783 1299 1 3 . 1 1 48 48 VAL CB C 48 34.420 34.420 34.072 0.348 19783 1300 1 3 . 1 1 48 48 VAL H H 48 7.529 7.529 7.514 0.015 19783 1301 1 3 . 1 1 49 49 GLU N N 49 128.059 128.059 128.316 -0.257 19783 1302 1 3 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.266 0.471 19783 1303 1 3 . 1 1 49 49 GLU C C 49 175.927 175.927 176.185 -0.258 19783 1304 1 3 . 1 1 49 49 GLU CA C 49 57.835 57.835 57.956 -0.121 19783 1305 1 3 . 1 1 49 49 GLU CB C 49 29.551 29.551 29.802 -0.251 19783 1306 1 3 . 1 1 49 49 GLU H H 49 8.851 8.851 8.772 0.079 19783 1307 1 3 . 1 1 50 50 ARG N N 50 128.391 128.391 123.776 4.615 19783 1308 1 3 . 1 1 50 50 ARG CA C 50 54.280 54.280 55.420 -1.140 19783 1309 1 3 . 1 1 50 50 ARG CB C 50 32.304 32.304 31.144 1.160 19783 1310 1 3 . 1 1 50 50 ARG H H 50 8.704 8.704 8.446 0.258 19783 1311 1 3 . 1 1 51 51 LYS N N 51 124.441 124.441 120.890 3.551 19783 1312 1 3 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.326 0.203 19783 1313 1 3 . 1 1 51 51 LYS CA C 51 56.868 56.868 55.919 0.949 19783 1314 1 3 . 1 1 51 51 LYS CB C 51 34.604 34.604 32.841 1.763 19783 1315 1 3 . 1 1 51 51 LYS H H 51 8.772 8.772 8.511 0.261 19783 1316 1 3 . 1 1 52 52 LYS N N 52 122.374 122.374 119.867 2.507 19783 1317 1 3 . 1 1 52 52 LYS HA H 52 4.197 4.197 4.061 0.136 19783 1318 1 3 . 1 1 52 52 LYS C C 52 176.921 176.921 177.204 -0.283 19783 1319 1 3 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.014 0.465 19783 1320 1 3 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.442 0.600 19783 1321 1 3 . 1 1 52 52 LYS H H 52 7.752 7.752 8.235 -0.483 19783 1322 1 3 . 1 1 53 53 GLY N N 53 112.970 112.970 104.800 8.170 19783 1323 1 3 . 1 1 53 53 GLY C C 53 173.872 173.872 173.048 0.824 19783 1324 1 3 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.594 1.062 19783 1325 1 3 . 1 1 53 53 GLY H H 53 8.832 8.832 8.259 0.573 19783 1326 1 3 . 1 1 54 54 VAL N N 54 120.474 120.474 121.125 -0.651 19783 1327 1 3 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.502 -0.019 19783 1328 1 3 . 1 1 54 54 VAL C C 54 176.870 176.870 174.536 2.334 19783 1329 1 3 . 1 1 54 54 VAL CA C 54 62.101 62.101 60.989 1.112 19783 1330 1 3 . 1 1 54 54 VAL CB C 54 33.587 33.587 32.916 0.671 19783 1331 1 3 . 1 1 54 54 VAL H H 54 7.004 7.004 7.683 -0.679 19783 1332 1 3 . 1 1 55 55 GLU N N 55 129.276 129.276 130.639 -1.363 19783 1333 1 3 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.717 0.000 19783 1334 1 3 . 1 1 55 55 GLU C C 55 175.068 175.068 175.375 -0.307 19783 1335 1 3 . 1 1 55 55 GLU CA C 55 55.831 55.831 54.659 1.172 19783 1336 1 3 . 1 1 55 55 GLU CB C 55 32.917 32.917 31.479 1.438 19783 1337 1 3 . 1 1 55 55 GLU H H 55 9.091 9.091 9.000 0.091 19783 1338 1 3 . 1 1 56 56 THR N N 56 126.675 126.675 117.897 8.778 19783 1339 1 3 . 1 1 56 56 THR HA H 56 4.881 4.881 5.014 -0.133 19783 1340 1 3 . 1 1 56 56 THR CA C 56 62.268 62.268 60.748 1.520 19783 1341 1 3 . 1 1 56 56 THR CB C 56 69.679 69.679 69.212 0.467 19783 1342 1 3 . 1 1 56 56 THR H H 56 9.162 9.162 8.648 0.514 19783 1343 1 3 . 1 1 57 57 GLN N N 57 127.368 127.368 125.721 1.647 19783 1344 1 3 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.446 -0.057 19783 1345 1 3 . 1 1 57 57 GLN C C 57 175.254 175.254 175.774 -0.520 19783 1346 1 3 . 1 1 57 57 GLN CA C 57 55.285 55.285 55.497 -0.212 19783 1347 1 3 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.105 0.400 19783 1348 1 3 . 1 1 57 57 GLN H H 57 8.638 8.638 8.817 -0.179 19783 1349 1 3 . 1 1 58 58 ASN N N 58 118.031 118.031 121.112 -3.081 19783 1350 1 3 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.814 0.026 19783 1351 1 3 . 1 1 58 58 ASN CA C 58 52.081 52.081 51.571 0.510 19783 1352 1 3 . 1 1 58 58 ASN CB C 58 37.293 37.293 39.072 -1.780 19783 1353 1 3 . 1 1 58 58 ASN H H 58 8.398 8.398 8.573 -0.175 19783 1354 1 3 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.500 0.115 19783 1355 1 3 . 1 1 59 59 PRO CA C 59 63.453 63.453 63.226 0.227 19783 1356 1 3 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.315 -0.053 19783 1357 1 3 . 1 1 60 60 GLU N N 60 122.445 122.445 123.383 -0.938 19783 1358 1 3 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.737 -0.099 19783 1359 1 3 . 1 1 60 60 GLU C C 60 175.574 175.574 175.551 0.023 19783 1360 1 3 . 1 1 60 60 GLU CA C 60 54.797 54.797 54.696 0.101 19783 1361 1 3 . 1 1 60 60 GLU CB C 60 32.614 32.614 32.645 -0.031 19783 1362 1 3 . 1 1 60 60 GLU H H 60 8.704 8.704 8.273 0.431 19783 1363 1 3 . 1 1 61 61 TRP N N 61 125.833 125.833 129.002 -3.169 19783 1364 1 3 . 1 1 61 61 TRP HA H 61 5.060 5.060 5.033 0.027 19783 1365 1 3 . 1 1 61 61 TRP C C 61 176.651 176.651 175.538 1.113 19783 1366 1 3 . 1 1 61 61 TRP CA C 61 57.163 57.163 57.363 -0.200 19783 1367 1 3 . 1 1 61 61 TRP CB C 61 30.886 30.886 30.587 0.299 19783 1368 1 3 . 1 1 61 61 TRP H H 61 8.817 8.817 8.787 0.030 19783 1369 1 3 . 1 1 62 62 SER N N 62 120.682 120.682 122.723 -2.041 19783 1370 1 3 . 1 1 62 62 SER HA H 62 4.424 4.424 4.785 -0.361 19783 1371 1 3 . 1 1 62 62 SER C C 62 174.614 174.614 174.596 0.018 19783 1372 1 3 . 1 1 62 62 SER CA C 62 57.422 57.422 57.798 -0.376 19783 1373 1 3 . 1 1 62 62 SER CB C 62 64.113 64.113 63.878 0.235 19783 1374 1 3 . 1 1 62 62 SER H H 62 8.551 8.551 8.676 -0.125 19783 1375 1 3 . 1 1 63 63 GLY N N 63 112.655 112.655 118.030 -5.375 19783 1376 1 3 . 1 1 63 63 GLY CA C 63 46.488 46.488 46.878 -0.390 19783 1377 1 3 . 1 1 63 63 GLY H H 63 6.895 6.895 9.097 -2.202 19783 1378 1 3 . 1 1 64 64 SER HA H 64 4.347 4.347 4.937 -0.590 19783 1379 1 3 . 1 1 64 64 SER CA C 64 59.027 59.027 57.489 1.538 19783 1380 1 3 . 1 1 64 64 SER CB C 64 63.975 63.975 63.741 0.234 19783 1381 1 3 . 1 1 65 65 LYS N N 65 120.463 120.463 121.334 -0.871 19783 1382 1 3 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.258 0.225 19783 1383 1 3 . 1 1 65 65 LYS C C 65 174.816 174.816 174.369 0.447 19783 1384 1 3 . 1 1 65 65 LYS CA C 65 54.862 54.862 53.334 1.528 19783 1385 1 3 . 1 1 65 65 LYS CB C 65 35.788 35.788 35.145 0.643 19783 1386 1 3 . 1 1 65 65 LYS H H 65 7.441 7.441 7.676 -0.235 19783 1387 1 3 . 1 1 66 66 SER N N 66 117.984 117.984 115.317 2.667 19783 1388 1 3 . 1 1 66 66 SER HA H 66 4.999 4.999 4.929 0.070 19783 1389 1 3 . 1 1 66 66 SER C C 66 172.205 172.205 173.509 -1.304 19783 1390 1 3 . 1 1 66 66 SER CA C 66 57.739 57.739 57.172 0.567 19783 1391 1 3 . 1 1 66 66 SER CB C 66 64.876 64.876 66.132 -1.256 19783 1392 1 3 . 1 1 66 66 SER H H 66 8.522 8.522 8.833 -0.311 19783 1393 1 3 . 1 1 67 67 THR N N 67 115.663 115.663 119.562 -3.899 19783 1394 1 3 . 1 1 67 67 THR HA H 67 5.608 5.608 4.781 0.827 19783 1395 1 3 . 1 1 67 67 THR C C 67 175.102 175.102 173.039 2.063 19783 1396 1 3 . 1 1 67 67 THR CA C 67 60.739 60.739 61.743 -1.004 19783 1397 1 3 . 1 1 67 67 THR CB C 67 72.013 72.013 70.417 1.596 19783 1398 1 3 . 1 1 67 67 THR H H 67 8.354 8.354 8.907 -0.553 19783 1399 1 3 . 1 1 68 68 ILE N N 68 127.394 127.394 128.902 -1.508 19783 1400 1 3 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.413 -0.110 19783 1401 1 3 . 1 1 68 68 ILE C C 68 173.519 173.519 174.114 -0.595 19783 1402 1 3 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.152 2.124 19783 1403 1 3 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.329 1.798 19783 1404 1 3 . 1 1 68 68 ILE H H 68 9.529 9.529 8.998 0.531 19783 1405 1 3 . 1 1 69 69 VAL N N 69 125.903 125.903 127.002 -1.099 19783 1406 1 3 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.349 0.508 19783 1407 1 3 . 1 1 69 69 VAL C C 69 174.917 174.917 175.188 -0.271 19783 1408 1 3 . 1 1 69 69 VAL CA C 69 61.241 61.241 61.194 0.047 19783 1409 1 3 . 1 1 69 69 VAL CB C 69 34.136 34.136 33.448 0.688 19783 1410 1 3 . 1 1 69 69 VAL H H 69 7.253 7.253 8.710 -1.457 19783 1411 1 3 . 1 1 70 70 SER N N 70 121.681 121.681 123.803 -2.122 19783 1412 1 3 . 1 1 70 70 SER HA H 70 5.397 5.397 5.673 -0.276 19783 1413 1 3 . 1 1 70 70 SER C C 70 173.047 173.047 172.877 0.170 19783 1414 1 3 . 1 1 70 70 SER CA C 70 56.407 56.407 57.383 -0.976 19783 1415 1 3 . 1 1 70 70 SER CB C 70 64.832 64.832 65.072 -0.240 19783 1416 1 3 . 1 1 70 70 SER H H 70 9.302 9.302 9.415 -0.113 19783 1417 1 3 . 1 1 71 71 LYS N N 71 127.421 127.421 127.514 -0.093 19783 1418 1 3 . 1 1 71 71 LYS HA H 71 5.360 5.360 4.934 0.426 19783 1419 1 3 . 1 1 71 71 LYS C C 71 173.603 173.603 173.702 -0.099 19783 1420 1 3 . 1 1 71 71 LYS CA C 71 54.771 54.771 54.864 -0.093 19783 1421 1 3 . 1 1 71 71 LYS CB C 71 36.108 36.108 36.000 0.108 19783 1422 1 3 . 1 1 71 71 LYS H H 71 9.029 9.029 9.043 -0.014 19783 1423 1 3 . 1 1 72 72 LEU N N 72 124.252 124.252 125.078 -0.826 19783 1424 1 3 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.662 -0.380 19783 1425 1 3 . 1 1 72 72 LEU C C 72 174.075 174.075 175.091 -1.016 19783 1426 1 3 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.449 0.551 19783 1427 1 3 . 1 1 72 72 LEU CB C 72 41.516 41.516 44.249 -2.733 19783 1428 1 3 . 1 1 72 72 LEU H H 72 8.407 8.407 8.920 -0.513 19783 1429 1 3 . 1 1 73 73 LYS N N 73 128.141 128.141 128.386 -0.245 19783 1430 1 3 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.282 0.496 19783 1431 1 3 . 1 1 73 73 LYS C C 73 176.331 176.331 174.636 1.695 19783 1432 1 3 . 1 1 73 73 LYS CA C 73 55.250 55.250 55.958 -0.708 19783 1433 1 3 . 1 1 73 73 LYS CB C 73 33.333 33.333 32.609 0.724 19783 1434 1 3 . 1 1 73 73 LYS H H 73 8.090 8.090 8.779 -0.689 19783 1435 1 3 . 1 1 74 74 VAL N N 74 121.453 121.453 119.420 2.033 19783 1436 1 3 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.479 0.153 19783 1437 1 3 . 1 1 74 74 VAL C C 74 175.590 175.590 174.427 1.163 19783 1438 1 3 . 1 1 74 74 VAL CA C 74 58.455 58.455 59.397 -0.942 19783 1439 1 3 . 1 1 74 74 VAL CB C 74 35.744 35.744 35.190 0.554 19783 1440 1 3 . 1 1 74 74 VAL H H 74 8.730 8.730 7.894 0.836 19783 1441 1 3 . 1 1 75 75 MET N N 75 119.151 119.151 119.441 -0.290 19783 1442 1 3 . 1 1 75 75 MET HA H 75 4.560 4.560 4.566 -0.006 19783 1443 1 3 . 1 1 75 75 MET CA C 75 55.753 55.753 55.829 -0.076 19783 1444 1 3 . 1 1 75 75 MET CB C 75 32.563 32.563 32.682 -0.119 19783 1445 1 3 . 1 1 75 75 MET H H 75 8.724 8.724 8.492 0.232 19783 1446 1 3 . 1 1 76 76 ALA N N 76 127.351 127.351 129.394 -2.043 19783 1447 1 3 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.064 -0.322 19783 1448 1 3 . 1 1 76 76 ALA C C 76 178.487 178.487 179.328 -0.841 19783 1449 1 3 . 1 1 76 76 ALA CA C 76 55.953 55.953 56.315 -0.362 19783 1450 1 3 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.274 -0.280 19783 1451 1 3 . 1 1 76 76 ALA H H 76 8.460 8.460 8.445 0.015 19783 1452 1 3 . 1 1 77 77 SER N N 77 110.202 110.202 113.681 -3.479 19783 1453 1 3 . 1 1 77 77 SER HA H 77 4.149 4.149 4.181 -0.032 19783 1454 1 3 . 1 1 77 77 SER C C 77 176.550 176.550 176.262 0.288 19783 1455 1 3 . 1 1 77 77 SER CA C 77 60.894 60.894 61.550 -0.656 19783 1456 1 3 . 1 1 77 77 SER CB C 77 61.996 61.996 62.647 -0.651 19783 1457 1 3 . 1 1 77 77 SER H H 77 8.460 8.460 8.413 0.047 19783 1458 1 3 . 1 1 78 78 GLU N N 78 124.828 124.828 122.036 2.792 19783 1459 1 3 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.250 -0.101 19783 1460 1 3 . 1 1 78 78 GLU C C 78 179.599 179.599 178.016 1.583 19783 1461 1 3 . 1 1 78 78 GLU CA C 78 59.118 59.118 58.746 0.372 19783 1462 1 3 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.555 1.817 19783 1463 1 3 . 1 1 78 78 GLU H H 78 7.336 7.336 7.681 -0.345 19783 1464 1 3 . 1 1 79 79 TRP N N 79 123.252 123.252 120.849 2.403 19783 1465 1 3 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.631 0.003 19783 1466 1 3 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.905 0.889 19783 1467 1 3 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.741 -0.273 19783 1468 1 3 . 1 1 79 79 TRP H H 79 7.469 7.469 8.413 -0.944 19783 1469 1 3 . 1 1 80 80 ASP N N 80 116.114 116.114 119.510 -3.396 19783 1470 1 3 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.355 -0.062 19783 1471 1 3 . 1 1 80 80 ASP C C 80 177.174 177.174 177.714 -0.540 19783 1472 1 3 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.133 0.474 19783 1473 1 3 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.594 0.740 19783 1474 1 3 . 1 1 80 80 ASP H H 80 8.816 8.816 8.335 0.481 19783 1475 1 3 . 1 1 81 81 SER N N 81 112.692 112.692 113.443 -0.751 19783 1476 1 3 . 1 1 81 81 SER HA H 81 4.338 4.338 4.381 -0.043 19783 1477 1 3 . 1 1 81 81 SER C C 81 175.203 175.203 175.558 -0.355 19783 1478 1 3 . 1 1 81 81 SER CA C 81 59.645 59.645 58.676 0.969 19783 1479 1 3 . 1 1 81 81 SER CB C 81 64.055 64.055 63.943 0.112 19783 1480 1 3 . 1 1 81 81 SER H H 81 7.393 7.393 7.595 -0.202 19783 1481 1 3 . 1 1 82 82 GLY N N 82 108.811 108.811 110.689 -1.878 19783 1482 1 3 . 1 1 82 82 GLY C C 82 173.687 173.687 174.703 -1.016 19783 1483 1 3 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.615 0.605 19783 1484 1 3 . 1 1 82 82 GLY H H 82 7.587 7.587 7.669 -0.082 19783 1485 1 3 . 1 1 83 83 THR N N 83 116.253 116.253 114.953 1.300 19783 1486 1 3 . 1 1 83 83 THR HA H 83 3.668 3.668 4.228 -0.560 19783 1487 1 3 . 1 1 83 83 THR C C 83 170.908 170.908 174.122 -3.214 19783 1488 1 3 . 1 1 83 83 THR CA C 83 63.674 63.674 62.309 1.365 19783 1489 1 3 . 1 1 83 83 THR CB C 83 70.037 70.037 70.272 -0.235 19783 1490 1 3 . 1 1 83 83 THR H H 83 6.788 6.788 7.280 -0.492 19783 1491 1 3 . 1 1 84 84 GLU N N 84 124.967 124.967 124.125 0.842 19783 1492 1 3 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.641 0.036 19783 1493 1 3 . 1 1 84 84 GLU C C 84 174.462 174.462 175.487 -1.025 19783 1494 1 3 . 1 1 84 84 GLU CA C 84 55.508 55.508 55.810 -0.302 19783 1495 1 3 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.338 1.706 19783 1496 1 3 . 1 1 84 84 GLU H H 84 8.006 8.006 8.389 -0.383 19783 1497 1 3 . 1 1 85 85 TYR N N 85 127.327 127.327 122.057 5.270 19783 1498 1 3 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.196 -0.247 19783 1499 1 3 . 1 1 85 85 TYR C C 85 174.563 174.563 175.021 -0.458 19783 1500 1 3 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.053 1.396 19783 1501 1 3 . 1 1 85 85 TYR CB C 85 41.291 41.291 41.065 0.226 19783 1502 1 3 . 1 1 85 85 TYR H H 85 8.993 8.993 8.536 0.457 19783 1503 1 3 . 1 1 86 86 VAL N N 86 121.985 121.985 123.362 -1.377 19783 1504 1 3 . 1 1 86 86 VAL HA H 86 4.884 4.884 4.906 -0.022 19783 1505 1 3 . 1 1 86 86 VAL C C 86 173.822 173.822 173.792 0.030 19783 1506 1 3 . 1 1 86 86 VAL CA C 86 60.701 60.701 60.588 0.113 19783 1507 1 3 . 1 1 86 86 VAL CB C 86 35.536 35.536 34.797 0.739 19783 1508 1 3 . 1 1 86 86 VAL H H 86 8.873 8.873 8.419 0.454 19783 1509 1 3 . 1 1 87 87 CYS N N 87 127.376 127.376 127.286 0.090 19783 1510 1 3 . 1 1 87 87 CYS HA H 87 3.909 3.909 5.164 -1.255 19783 1511 1 3 . 1 1 87 87 CYS C C 87 171.211 171.211 173.221 -2.010 19783 1512 1 3 . 1 1 87 87 CYS CA C 87 52.879 52.879 55.369 -2.490 19783 1513 1 3 . 1 1 87 87 CYS CB C 87 44.008 44.008 27.642 16.366 19783 1514 1 3 . 1 1 87 87 CYS H H 87 8.312 8.312 8.883 -0.571 19783 1515 1 3 . 1 1 88 88 LEU N N 88 127.118 127.118 126.771 0.347 19783 1516 1 3 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.574 -0.628 19783 1517 1 3 . 1 1 88 88 LEU C C 88 173.957 173.957 174.277 -0.320 19783 1518 1 3 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.290 1.214 19783 1519 1 3 . 1 1 88 88 LEU CB C 88 45.537 45.537 46.142 -0.605 19783 1520 1 3 . 1 1 88 88 LEU H H 88 8.837 8.837 8.643 0.194 19783 1521 1 3 . 1 1 89 89 VAL N N 89 120.421 120.421 120.351 0.070 19783 1522 1 3 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.951 -0.087 19783 1523 1 3 . 1 1 89 89 VAL C C 89 174.580 174.580 174.416 0.164 19783 1524 1 3 . 1 1 89 89 VAL CA C 89 60.421 60.421 61.525 -1.104 19783 1525 1 3 . 1 1 89 89 VAL CB C 89 34.505 34.505 35.892 -1.387 19783 1526 1 3 . 1 1 89 89 VAL H H 89 8.687 8.687 8.982 -0.295 19783 1527 1 3 . 1 1 90 90 GLU N N 90 122.482 122.482 126.672 -4.190 19783 1528 1 3 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.747 0.076 19783 1529 1 3 . 1 1 90 90 GLU C C 90 174.664 174.664 173.877 0.787 19783 1530 1 3 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.550 -0.348 19783 1531 1 3 . 1 1 90 90 GLU CB C 90 34.685 34.685 33.945 0.740 19783 1532 1 3 . 1 1 90 90 GLU H H 90 8.551 8.551 8.788 -0.237 19783 1533 1 3 . 1 1 91 91 ASP N N 91 119.348 119.348 123.714 -4.366 19783 1534 1 3 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.872 -0.128 19783 1535 1 3 . 1 1 91 91 ASP C C 91 176.921 176.921 176.675 0.246 19783 1536 1 3 . 1 1 91 91 ASP CA C 91 54.603 54.603 53.240 1.363 19783 1537 1 3 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.571 3.987 19783 1538 1 3 . 1 1 91 91 ASP H H 91 7.980 7.980 8.462 -0.482 19783 1539 1 3 . 1 1 92 92 SER N N 92 121.504 121.504 118.727 2.777 19783 1540 1 3 . 1 1 92 92 SER HA H 92 4.158 4.158 4.273 -0.115 19783 1541 1 3 . 1 1 92 92 SER C C 92 175.574 175.574 175.420 0.154 19783 1542 1 3 . 1 1 92 92 SER CA C 92 61.803 61.803 60.827 0.976 19783 1543 1 3 . 1 1 92 92 SER CB C 92 62.911 62.911 63.183 -0.272 19783 1544 1 3 . 1 1 92 92 SER H H 92 7.973 7.973 8.907 -0.934 19783 1545 1 3 . 1 1 93 93 GLU N N 93 121.008 121.008 118.430 2.578 19783 1546 1 3 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.405 -0.116 19783 1547 1 3 . 1 1 93 93 GLU C C 93 176.517 176.517 175.741 0.776 19783 1548 1 3 . 1 1 93 93 GLU CA C 93 56.610 56.610 55.899 0.711 19783 1549 1 3 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.386 -0.411 19783 1550 1 3 . 1 1 93 93 GLU H H 93 9.782 9.782 8.672 1.110 19783 1551 1 3 . 1 1 94 94 LEU N N 94 121.375 121.375 121.343 0.032 19783 1552 1 3 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.503 0.282 19783 1553 1 3 . 1 1 94 94 LEU CA C 94 51.759 51.759 52.705 -0.946 19783 1554 1 3 . 1 1 94 94 LEU CB C 94 42.854 42.854 42.154 0.700 19783 1555 1 3 . 1 1 94 94 LEU H H 94 7.802 7.802 7.445 0.357 19783 1556 1 3 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.563 -0.279 19783 1557 1 3 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.436 1.371 19783 1558 1 3 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.205 0.095 19783 1559 1 3 . 1 1 96 96 THR N N 96 109.657 109.657 110.710 -1.053 19783 1560 1 3 . 1 1 96 96 THR HA H 96 4.499 4.499 4.668 -0.169 19783 1561 1 3 . 1 1 96 96 THR CA C 96 58.673 58.673 58.808 -0.135 19783 1562 1 3 . 1 1 96 96 THR CB C 96 70.994 70.994 70.323 0.671 19783 1563 1 3 . 1 1 96 96 THR H H 96 7.094 7.094 7.529 -0.435 19783 1564 1 3 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.704 0.042 19783 1565 1 3 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.390 0.904 19783 1566 1 3 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.329 0.640 19783 1567 1 3 . 1 1 98 98 VAL N N 98 122.997 122.997 122.967 0.030 19783 1568 1 3 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.328 -0.120 19783 1569 1 3 . 1 1 98 98 VAL C C 98 173.923 173.923 175.132 -1.209 19783 1570 1 3 . 1 1 98 98 VAL CA C 98 61.972 61.972 61.578 0.394 19783 1571 1 3 . 1 1 98 98 VAL CB C 98 33.468 33.468 32.082 1.386 19783 1572 1 3 . 1 1 98 98 VAL H H 98 8.358 8.358 9.049 -0.691 19783 1573 1 3 . 1 1 99 99 LYS N N 99 122.194 122.194 126.645 -4.451 19783 1574 1 3 . 1 1 99 99 LYS HA H 99 5.482 5.482 4.926 0.556 19783 1575 1 3 . 1 1 99 99 LYS C C 99 174.984 174.984 175.080 -0.096 19783 1576 1 3 . 1 1 99 99 LYS CA C 99 54.322 54.322 53.977 0.345 19783 1577 1 3 . 1 1 99 99 LYS CB C 99 37.320 37.320 34.935 2.385 19783 1578 1 3 . 1 1 99 99 LYS H H 99 8.340 8.340 8.469 -0.129 19783 1579 1 3 . 1 1 100 100 ALA N N 100 123.875 123.875 124.468 -0.593 19783 1580 1 3 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.554 0.084 19783 1581 1 3 . 1 1 100 100 ALA C C 100 174.243 174.243 174.980 -0.737 19783 1582 1 3 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.438 -0.046 19783 1583 1 3 . 1 1 100 100 ALA CB C 100 23.012 23.012 21.112 1.900 19783 1584 1 3 . 1 1 100 100 ALA H H 100 8.600 8.600 8.490 0.110 19783 1585 1 3 . 1 1 101 101 SER N N 101 114.189 114.189 118.005 -3.816 19783 1586 1 3 . 1 1 101 101 SER HA H 101 5.761 5.761 5.649 0.112 19783 1587 1 3 . 1 1 101 101 SER C C 101 173.519 173.519 174.078 -0.559 19783 1588 1 3 . 1 1 101 101 SER CA C 101 56.346 56.346 56.318 0.028 19783 1589 1 3 . 1 1 101 101 SER CB C 101 67.504 67.504 64.902 2.602 19783 1590 1 3 . 1 1 101 101 SER H H 101 8.367 8.367 8.498 -0.131 19783 1591 1 3 . 1 1 102 102 ILE N N 102 121.742 121.742 123.611 -1.869 19783 1592 1 3 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.703 0.075 19783 1593 1 3 . 1 1 102 102 ILE C C 102 170.824 170.824 173.207 -2.383 19783 1594 1 3 . 1 1 102 102 ILE CA C 102 61.198 61.198 60.196 1.002 19783 1595 1 3 . 1 1 102 102 ILE CB C 102 41.820 41.820 41.934 -0.114 19783 1596 1 3 . 1 1 102 102 ILE H H 102 9.317 9.317 9.065 0.252 19783 1597 1 3 . 1 1 103 103 ARG N N 103 120.111 120.111 125.299 -5.188 19783 1598 1 3 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.838 -0.257 19783 1599 1 3 . 1 1 103 103 ARG C C 103 174.411 174.411 174.793 -0.382 19783 1600 1 3 . 1 1 103 103 ARG CA C 103 54.474 54.474 53.759 0.715 19783 1601 1 3 . 1 1 103 103 ARG CB C 103 34.589 34.589 33.326 1.263 19783 1602 1 3 . 1 1 103 103 ARG H H 103 7.525 7.525 8.384 -0.859 19783 1603 1 3 . 1 1 104 104 LYS N N 104 126.177 126.177 122.168 4.009 19783 1604 1 3 . 1 1 104 104 LYS HA H 104 3.614 3.614 3.691 -0.077 19783 1605 1 3 . 1 1 104 104 LYS C C 104 175.287 175.287 175.100 0.187 19783 1606 1 3 . 1 1 104 104 LYS CA C 104 58.288 58.288 56.667 1.621 19783 1607 1 3 . 1 1 104 104 LYS CB C 104 32.169 32.169 31.219 0.950 19783 1608 1 3 . 1 1 104 104 LYS H H 104 9.077 9.077 8.233 0.844 19783 1609 1 4 . 1 1 2 2 GLY CA C 2 43.533 43.533 45.257 -1.724 19783 1610 1 4 . 1 1 3 3 ARG HA H 3 4.368 4.368 4.401 -0.033 19783 1611 1 4 . 1 1 3 3 ARG CA C 3 56.394 56.394 57.677 -1.283 19783 1612 1 4 . 1 1 3 3 ARG CB C 3 31.358 31.358 30.846 0.512 19783 1613 1 4 . 1 1 4 4 GLN N N 4 122.771 122.771 113.268 9.503 19783 1614 1 4 . 1 1 4 4 GLN HA H 4 4.393 4.393 4.314 0.079 19783 1615 1 4 . 1 1 4 4 GLN C C 4 175.843 175.843 174.321 1.522 19783 1616 1 4 . 1 1 4 4 GLN CA C 4 56.155 56.155 55.908 0.247 19783 1617 1 4 . 1 1 4 4 GLN CB C 4 29.413 29.413 29.324 0.089 19783 1618 1 4 . 1 1 4 4 GLN H H 4 8.899 8.899 7.898 1.001 19783 1619 1 4 . 1 1 5 5 THR N N 5 115.866 115.866 118.617 -2.751 19783 1620 1 4 . 1 1 5 5 THR HA H 5 4.276 4.276 4.474 -0.198 19783 1621 1 4 . 1 1 5 5 THR C C 5 173.957 173.957 173.593 0.364 19783 1622 1 4 . 1 1 5 5 THR CA C 5 62.295 62.295 61.881 0.414 19783 1623 1 4 . 1 1 5 5 THR CB C 5 69.957 69.957 67.878 2.079 19783 1624 1 4 . 1 1 5 5 THR H H 5 8.063 8.063 8.183 -0.120 19783 1625 1 4 . 1 1 6 6 ASP N N 6 124.653 124.653 130.486 -5.833 19783 1626 1 4 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.845 -0.095 19783 1627 1 4 . 1 1 6 6 ASP C C 6 174.159 174.159 174.226 -0.067 19783 1628 1 4 . 1 1 6 6 ASP CA C 6 54.022 54.022 53.775 0.247 19783 1629 1 4 . 1 1 6 6 ASP CB C 6 41.741 41.741 41.958 -0.216 19783 1630 1 4 . 1 1 6 6 ASP H H 6 8.499 8.499 8.102 0.397 19783 1631 1 4 . 1 1 7 7 ILE N N 7 119.741 119.741 125.640 -5.899 19783 1632 1 4 . 1 1 7 7 ILE HA H 7 4.992 4.992 4.729 0.263 19783 1633 1 4 . 1 1 7 7 ILE C C 7 173.334 173.334 174.427 -1.093 19783 1634 1 4 . 1 1 7 7 ILE CA C 7 60.213 60.213 59.878 0.335 19783 1635 1 4 . 1 1 7 7 ILE CB C 7 40.206 40.206 40.253 -0.047 19783 1636 1 4 . 1 1 7 7 ILE H H 7 7.799 7.799 8.252 -0.453 19783 1637 1 4 . 1 1 8 8 SER N N 8 121.920 121.920 126.540 -4.620 19783 1638 1 4 . 1 1 8 8 SER HA H 8 4.694 4.694 4.834 -0.140 19783 1639 1 4 . 1 1 8 8 SER C C 8 172.508 172.508 172.150 0.358 19783 1640 1 4 . 1 1 8 8 SER CA C 8 56.801 56.801 57.031 -0.230 19783 1641 1 4 . 1 1 8 8 SER CB C 8 65.356 65.356 65.305 0.051 19783 1642 1 4 . 1 1 8 8 SER H H 8 8.850 8.850 9.197 -0.347 19783 1643 1 4 . 1 1 9 9 VAL N N 9 125.845 125.845 126.436 -0.591 19783 1644 1 4 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.241 0.368 19783 1645 1 4 . 1 1 9 9 VAL C C 9 174.647 174.647 174.591 0.056 19783 1646 1 4 . 1 1 9 9 VAL CA C 9 61.730 61.730 60.870 0.860 19783 1647 1 4 . 1 1 9 9 VAL CB C 9 34.372 34.372 33.917 0.455 19783 1648 1 4 . 1 1 9 9 VAL H H 9 8.452 8.452 8.575 -0.123 19783 1649 1 4 . 1 1 10 10 SER N N 10 121.312 121.312 126.116 -4.804 19783 1650 1 4 . 1 1 10 10 SER HA H 10 4.725 4.725 4.813 -0.088 19783 1651 1 4 . 1 1 10 10 SER C C 10 171.784 171.784 172.984 -1.200 19783 1652 1 4 . 1 1 10 10 SER CA C 10 57.060 57.060 57.228 -0.168 19783 1653 1 4 . 1 1 10 10 SER CB C 10 65.764 65.764 64.383 1.381 19783 1654 1 4 . 1 1 10 10 SER H H 10 8.624 8.624 8.733 -0.109 19783 1655 1 4 . 1 1 11 11 LEU N N 11 124.101 124.101 127.565 -3.464 19783 1656 1 4 . 1 1 11 11 LEU HA H 11 5.475 5.475 4.898 0.577 19783 1657 1 4 . 1 1 11 11 LEU C C 11 175.894 175.894 176.099 -0.205 19783 1658 1 4 . 1 1 11 11 LEU CA C 11 53.556 53.556 53.993 -0.437 19783 1659 1 4 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.265 3.140 19783 1660 1 4 . 1 1 11 11 LEU H H 11 8.443 8.443 8.795 -0.352 19783 1661 1 4 . 1 1 12 12 LEU N N 12 124.363 124.363 128.055 -3.692 19783 1662 1 4 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.755 -0.176 19783 1663 1 4 . 1 1 12 12 LEU C C 12 175.708 175.708 174.762 0.946 19783 1664 1 4 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.275 0.389 19783 1665 1 4 . 1 1 12 12 LEU CB C 12 43.727 43.727 44.635 -0.908 19783 1666 1 4 . 1 1 12 12 LEU H H 12 8.977 8.977 9.231 -0.254 19783 1667 1 4 . 1 1 13 13 LYS N N 13 121.228 121.228 126.423 -5.195 19783 1668 1 4 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.371 -0.355 19783 1669 1 4 . 1 1 13 13 LYS CA C 13 54.332 54.332 53.844 0.488 19783 1670 1 4 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.533 0.254 19783 1671 1 4 . 1 1 13 13 LYS H H 13 8.151 8.151 8.497 -0.346 19783 1672 1 4 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.320 0.103 19783 1673 1 4 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.101 0.304 19783 1674 1 4 . 1 1 15 15 PRO CB C 15 31.948 31.948 32.818 -0.870 19783 1675 1 4 . 1 1 16 16 PHE N N 16 123.773 123.773 116.934 6.839 19783 1676 1 4 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.807 -0.740 19783 1677 1 4 . 1 1 16 16 PHE CA C 16 60.874 60.874 57.127 3.747 19783 1678 1 4 . 1 1 16 16 PHE CB C 16 39.063 39.063 38.477 0.586 19783 1679 1 4 . 1 1 16 16 PHE H H 16 8.348 8.348 8.392 -0.044 19783 1680 1 4 . 1 1 19 19 ILE HA H 19 3.764 3.764 3.830 -0.066 19783 1681 1 4 . 1 1 19 19 ILE CA C 19 64.709 64.709 60.931 3.778 19783 1682 1 4 . 1 1 19 19 ILE CB C 19 38.630 38.630 38.015 0.615 19783 1683 1 4 . 1 1 19 19 ILE H H 19 8.268 8.268 7.619 0.649 19783 1684 1 4 . 1 1 20 20 TRP N N 20 119.035 119.035 122.257 -3.222 19783 1685 1 4 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.695 0.247 19783 1686 1 4 . 1 1 20 20 TRP C C 20 173.974 173.974 175.880 -1.906 19783 1687 1 4 . 1 1 20 20 TRP CA C 20 55.508 55.508 55.479 0.029 19783 1688 1 4 . 1 1 20 20 TRP CB C 20 29.892 29.892 28.849 1.042 19783 1689 1 4 . 1 1 20 20 TRP H H 20 8.275 8.275 7.144 1.131 19783 1690 1 4 . 1 1 21 21 THR N N 21 122.056 122.056 115.253 6.803 19783 1691 1 4 . 1 1 21 21 THR HA H 21 4.585 4.585 4.272 0.313 19783 1692 1 4 . 1 1 21 21 THR CB C 21 70.303 70.303 68.949 1.354 19783 1693 1 4 . 1 1 21 21 THR H H 21 8.470 8.470 8.516 -0.046 19783 1694 1 4 . 1 1 23 23 GLN N N 23 123.024 123.024 123.677 -0.653 19783 1695 1 4 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.645 -0.496 19783 1696 1 4 . 1 1 23 23 GLN CA C 23 58.179 58.179 54.636 3.543 19783 1697 1 4 . 1 1 23 23 GLN CB C 23 26.860 26.860 31.149 -4.289 19783 1698 1 4 . 1 1 23 23 GLN H H 23 8.638 8.638 8.225 0.413 19783 1699 1 4 . 1 1 24 24 THR N N 24 110.779 110.779 108.871 1.908 19783 1700 1 4 . 1 1 24 24 THR HA H 24 4.785 4.785 4.688 0.097 19783 1701 1 4 . 1 1 24 24 THR CA C 24 60.278 60.278 60.189 0.089 19783 1702 1 4 . 1 1 24 24 THR CB C 24 72.143 72.143 70.534 1.609 19783 1703 1 4 . 1 1 24 24 THR H H 24 7.402 7.402 7.968 -0.566 19783 1704 1 4 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.201 -0.108 19783 1705 1 4 . 1 1 25 25 ALA CA C 25 53.882 53.882 51.218 2.664 19783 1706 1 4 . 1 1 25 25 ALA CB C 25 19.459 19.459 17.970 1.489 19783 1707 1 4 . 1 1 26 26 THR N N 26 116.103 116.103 115.823 0.280 19783 1708 1 4 . 1 1 26 26 THR CB C 26 69.894 69.894 69.209 0.685 19783 1709 1 4 . 1 1 26 26 THR H H 26 7.874 7.874 7.302 0.572 19783 1710 1 4 . 1 1 27 27 ILE HA H 27 3.717 3.717 3.864 -0.147 19783 1711 1 4 . 1 1 27 27 ILE CA C 27 60.996 60.996 60.482 0.514 19783 1712 1 4 . 1 1 27 27 ILE CB C 27 39.127 39.127 39.470 -0.343 19783 1713 1 4 . 1 1 27 27 ILE H H 27 8.853 8.853 8.266 0.587 19783 1714 1 4 . 1 1 28 28 VAL N N 28 125.545 125.545 123.345 2.200 19783 1715 1 4 . 1 1 28 28 VAL HA H 28 4.651 4.651 4.682 -0.031 19783 1716 1 4 . 1 1 28 28 VAL C C 28 173.536 173.536 173.909 -0.373 19783 1717 1 4 . 1 1 28 28 VAL CA C 28 62.257 62.257 61.319 0.938 19783 1718 1 4 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.177 -0.991 19783 1719 1 4 . 1 1 28 28 VAL H H 28 7.502 7.502 8.426 -0.924 19783 1720 1 4 . 1 1 29 29 CYS N N 29 128.977 128.977 128.832 0.145 19783 1721 1 4 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.381 -0.199 19783 1722 1 4 . 1 1 29 29 CYS C C 29 172.070 172.070 173.035 -0.965 19783 1723 1 4 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.279 -2.898 19783 1724 1 4 . 1 1 29 29 CYS CB C 29 43.709 43.709 28.619 15.090 19783 1725 1 4 . 1 1 29 29 CYS H H 29 9.907 9.907 9.507 0.400 19783 1726 1 4 . 1 1 30 30 GLU N N 30 126.688 126.688 130.428 -3.740 19783 1727 1 4 . 1 1 30 30 GLU HA H 30 4.852 4.852 5.167 -0.315 19783 1728 1 4 . 1 1 30 30 GLU CA C 30 55.742 55.742 54.773 0.969 19783 1729 1 4 . 1 1 30 30 GLU CB C 30 32.387 32.387 32.717 -0.330 19783 1730 1 4 . 1 1 30 30 GLU H H 30 9.217 9.217 9.135 0.082 19783 1731 1 4 . 1 1 31 31 ILE N N 31 130.021 130.021 126.199 3.822 19783 1732 1 4 . 1 1 31 31 ILE HA H 31 4.944 4.944 4.719 0.225 19783 1733 1 4 . 1 1 31 31 ILE C C 31 174.580 174.580 173.865 0.715 19783 1734 1 4 . 1 1 31 31 ILE CA C 31 60.795 60.795 59.678 1.117 19783 1735 1 4 . 1 1 31 31 ILE CB C 31 40.658 40.658 40.523 0.135 19783 1736 1 4 . 1 1 31 31 ILE H H 31 9.119 9.119 9.185 -0.066 19783 1737 1 4 . 1 1 32 32 VAL N N 32 127.671 127.671 124.813 2.858 19783 1738 1 4 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.704 0.520 19783 1739 1 4 . 1 1 32 32 VAL C C 32 176.331 176.331 174.717 1.614 19783 1740 1 4 . 1 1 32 32 VAL CA C 32 61.204 61.204 59.679 1.525 19783 1741 1 4 . 1 1 32 32 VAL CB C 32 34.236 34.236 32.986 1.250 19783 1742 1 4 . 1 1 32 32 VAL H H 32 8.723 8.723 8.696 0.027 19783 1743 1 4 . 1 1 33 33 TYR N N 33 125.563 125.563 122.126 3.437 19783 1744 1 4 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.634 -0.249 19783 1745 1 4 . 1 1 33 33 TYR C C 33 172.424 172.424 173.585 -1.161 19783 1746 1 4 . 1 1 33 33 TYR CA C 33 56.468 56.468 55.000 1.468 19783 1747 1 4 . 1 1 33 33 TYR CB C 33 41.612 41.612 40.676 0.936 19783 1748 1 4 . 1 1 33 33 TYR H H 33 9.114 9.114 9.011 0.103 19783 1749 1 4 . 1 1 34 34 SER N N 34 111.556 111.556 115.094 -3.538 19783 1750 1 4 . 1 1 34 34 SER HA H 34 4.749 4.749 4.905 -0.157 19783 1751 1 4 . 1 1 34 34 SER C C 34 174.108 174.108 173.594 0.514 19783 1752 1 4 . 1 1 34 34 SER CA C 34 57.900 57.900 56.992 0.908 19783 1753 1 4 . 1 1 34 34 SER CB C 34 65.956 65.956 64.934 1.022 19783 1754 1 4 . 1 1 34 34 SER H H 34 8.342 8.342 8.092 0.250 19783 1755 1 4 . 1 1 35 35 ASP N N 35 118.304 118.304 122.529 -4.225 19783 1756 1 4 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.372 -0.007 19783 1757 1 4 . 1 1 35 35 ASP C C 35 175.018 175.018 174.654 0.364 19783 1758 1 4 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.509 1.292 19783 1759 1 4 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.554 -0.197 19783 1760 1 4 . 1 1 35 35 ASP H H 35 8.672 8.672 8.881 -0.209 19783 1761 1 4 . 1 1 36 36 LEU N N 36 117.764 117.764 118.591 -0.827 19783 1762 1 4 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.330 0.194 19783 1763 1 4 . 1 1 36 36 LEU C C 36 177.157 177.157 176.937 0.220 19783 1764 1 4 . 1 1 36 36 LEU CA C 36 55.171 55.171 54.009 1.162 19783 1765 1 4 . 1 1 36 36 LEU CB C 36 43.283 43.283 42.994 0.289 19783 1766 1 4 . 1 1 36 36 LEU H H 36 7.357 7.357 7.665 -0.308 19783 1767 1 4 . 1 1 37 37 GLU N N 37 120.855 120.855 120.370 0.485 19783 1768 1 4 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.347 0.115 19783 1769 1 4 . 1 1 37 37 GLU C C 37 176.584 176.584 175.487 1.097 19783 1770 1 4 . 1 1 37 37 GLU CA C 37 57.020 57.020 55.001 2.019 19783 1771 1 4 . 1 1 37 37 GLU CB C 37 32.512 32.512 31.249 1.263 19783 1772 1 4 . 1 1 37 37 GLU H H 37 9.557 9.557 8.577 0.980 19783 1773 1 4 . 1 1 38 38 ASN N N 38 122.459 122.459 117.902 4.557 19783 1774 1 4 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.468 0.466 19783 1775 1 4 . 1 1 38 38 ASN C C 38 174.192 174.192 175.293 -1.101 19783 1776 1 4 . 1 1 38 38 ASN CA C 38 52.794 52.794 53.658 -0.864 19783 1777 1 4 . 1 1 38 38 ASN CB C 38 40.087 40.087 37.887 2.200 19783 1778 1 4 . 1 1 38 38 ASN H H 38 9.124 9.124 8.456 0.668 19783 1779 1 4 . 1 1 39 39 ILE N N 39 119.708 119.708 122.989 -3.281 19783 1780 1 4 . 1 1 39 39 ILE HA H 39 4.160 4.160 3.895 0.265 19783 1781 1 4 . 1 1 39 39 ILE C C 39 176.416 176.416 176.286 0.130 19783 1782 1 4 . 1 1 39 39 ILE CA C 39 62.166 62.166 61.730 0.436 19783 1783 1 4 . 1 1 39 39 ILE CB C 39 38.218 38.218 38.382 -0.164 19783 1784 1 4 . 1 1 39 39 ILE H H 39 7.252 7.252 8.004 -0.752 19783 1785 1 4 . 1 1 40 40 LYS N N 40 128.321 128.321 127.139 1.182 19783 1786 1 4 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.761 -0.358 19783 1787 1 4 . 1 1 40 40 LYS C C 40 173.755 173.755 174.639 -0.884 19783 1788 1 4 . 1 1 40 40 LYS CA C 40 55.056 55.056 55.294 -0.238 19783 1789 1 4 . 1 1 40 40 LYS CB C 40 36.010 36.010 35.154 0.856 19783 1790 1 4 . 1 1 40 40 LYS H H 40 8.760 8.760 8.482 0.278 19783 1791 1 4 . 1 1 41 41 VAL N N 41 121.679 121.679 125.160 -3.481 19783 1792 1 4 . 1 1 41 41 VAL HA H 41 4.760 4.760 5.098 -0.338 19783 1793 1 4 . 1 1 41 41 VAL C C 41 175.405 175.405 175.313 0.092 19783 1794 1 4 . 1 1 41 41 VAL CA C 41 60.873 60.873 61.188 -0.314 19783 1795 1 4 . 1 1 41 41 VAL CB C 41 33.886 33.886 33.713 0.173 19783 1796 1 4 . 1 1 41 41 VAL H H 41 7.902 7.902 8.446 -0.544 19783 1797 1 4 . 1 1 42 42 PHE N N 42 126.800 126.800 126.592 0.208 19783 1798 1 4 . 1 1 42 42 PHE HA H 42 4.869 4.869 4.940 -0.071 19783 1799 1 4 . 1 1 42 42 PHE C C 42 172.340 172.340 173.881 -1.541 19783 1800 1 4 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.454 -0.364 19783 1801 1 4 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.631 -1.641 19783 1802 1 4 . 1 1 42 42 PHE H H 42 9.352 9.352 9.279 0.073 19783 1803 1 4 . 1 1 43 43 TRP N N 43 119.314 119.314 123.173 -3.859 19783 1804 1 4 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.475 0.260 19783 1805 1 4 . 1 1 43 43 TRP C C 43 177.393 177.393 174.171 3.222 19783 1806 1 4 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.450 0.445 19783 1807 1 4 . 1 1 43 43 TRP CB C 43 32.055 32.055 32.555 -0.500 19783 1808 1 4 . 1 1 43 43 TRP H H 43 8.847 8.847 7.946 0.901 19783 1809 1 4 . 1 1 44 44 GLN N N 44 118.782 118.782 121.602 -2.820 19783 1810 1 4 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.598 0.406 19783 1811 1 4 . 1 1 44 44 GLN C C 44 175.035 175.035 174.001 1.034 19783 1812 1 4 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.552 -0.389 19783 1813 1 4 . 1 1 44 44 GLN CB C 44 33.065 33.065 33.053 0.012 19783 1814 1 4 . 1 1 44 44 GLN H H 44 9.376 9.376 8.288 1.088 19783 1815 1 4 . 1 1 45 45 VAL N N 45 121.659 121.659 126.201 -4.542 19783 1816 1 4 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.444 -0.038 19783 1817 1 4 . 1 1 45 45 VAL C C 45 176.921 176.921 175.713 1.208 19783 1818 1 4 . 1 1 45 45 VAL CA C 45 61.827 61.827 59.861 1.966 19783 1819 1 4 . 1 1 45 45 VAL CB C 45 34.260 34.260 31.882 2.378 19783 1820 1 4 . 1 1 45 45 VAL H H 45 8.796 8.796 8.924 -0.128 19783 1821 1 4 . 1 1 46 46 ASN N N 46 128.796 128.796 125.317 3.479 19783 1822 1 4 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.567 -0.184 19783 1823 1 4 . 1 1 46 46 ASN C C 46 175.523 175.523 175.668 -0.145 19783 1824 1 4 . 1 1 46 46 ASN CA C 46 54.279 54.279 53.904 0.376 19783 1825 1 4 . 1 1 46 46 ASN CB C 46 37.485 37.485 38.295 -0.810 19783 1826 1 4 . 1 1 46 46 ASN H H 46 9.628 9.628 8.951 0.677 19783 1827 1 4 . 1 1 47 47 GLY N N 47 102.032 102.032 102.483 -0.451 19783 1828 1 4 . 1 1 47 47 GLY C C 47 173.519 173.519 174.097 -0.578 19783 1829 1 4 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.442 0.031 19783 1830 1 4 . 1 1 47 47 GLY H H 47 8.820 8.820 8.157 0.663 19783 1831 1 4 . 1 1 48 48 VAL N N 48 120.265 120.265 122.839 -2.574 19783 1832 1 4 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.167 0.088 19783 1833 1 4 . 1 1 48 48 VAL C C 48 175.691 175.691 175.159 0.532 19783 1834 1 4 . 1 1 48 48 VAL CA C 48 61.080 61.080 61.087 -0.007 19783 1835 1 4 . 1 1 48 48 VAL CB C 48 34.420 34.420 33.107 1.313 19783 1836 1 4 . 1 1 48 48 VAL H H 48 7.529 7.529 7.684 -0.155 19783 1837 1 4 . 1 1 49 49 GLU N N 49 128.059 128.059 127.518 0.541 19783 1838 1 4 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.014 0.723 19783 1839 1 4 . 1 1 49 49 GLU C C 49 175.927 175.927 175.721 0.206 19783 1840 1 4 . 1 1 49 49 GLU CA C 49 57.835 57.835 57.418 0.417 19783 1841 1 4 . 1 1 49 49 GLU CB C 49 29.551 29.551 30.605 -1.054 19783 1842 1 4 . 1 1 49 49 GLU H H 49 8.851 8.851 8.889 -0.038 19783 1843 1 4 . 1 1 50 50 ARG N N 50 128.391 128.391 126.329 2.062 19783 1844 1 4 . 1 1 50 50 ARG CA C 50 54.280 54.280 54.993 -0.713 19783 1845 1 4 . 1 1 50 50 ARG CB C 50 32.304 32.304 31.124 1.180 19783 1846 1 4 . 1 1 50 50 ARG H H 50 8.704 8.704 7.692 1.012 19783 1847 1 4 . 1 1 51 51 LYS N N 51 124.441 124.441 124.697 -0.256 19783 1848 1 4 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.244 0.285 19783 1849 1 4 . 1 1 51 51 LYS CA C 51 56.868 56.868 56.184 0.684 19783 1850 1 4 . 1 1 51 51 LYS CB C 51 34.604 34.604 32.690 1.914 19783 1851 1 4 . 1 1 51 51 LYS H H 51 8.772 8.772 8.377 0.395 19783 1852 1 4 . 1 1 52 52 LYS N N 52 122.374 122.374 120.705 1.669 19783 1853 1 4 . 1 1 52 52 LYS HA H 52 4.197 4.197 3.978 0.219 19783 1854 1 4 . 1 1 52 52 LYS C C 52 176.921 176.921 177.027 -0.106 19783 1855 1 4 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.625 -0.146 19783 1856 1 4 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.764 0.278 19783 1857 1 4 . 1 1 52 52 LYS H H 52 7.752 7.752 8.572 -0.820 19783 1858 1 4 . 1 1 53 53 GLY N N 53 112.970 112.970 104.548 8.422 19783 1859 1 4 . 1 1 53 53 GLY C C 53 173.872 173.872 172.865 1.007 19783 1860 1 4 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.951 0.705 19783 1861 1 4 . 1 1 53 53 GLY H H 53 8.832 8.832 8.290 0.542 19783 1862 1 4 . 1 1 54 54 VAL N N 54 120.474 120.474 121.358 -0.884 19783 1863 1 4 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.776 -0.293 19783 1864 1 4 . 1 1 54 54 VAL C C 54 176.870 176.870 174.699 2.171 19783 1865 1 4 . 1 1 54 54 VAL CA C 54 62.101 62.101 60.847 1.254 19783 1866 1 4 . 1 1 54 54 VAL CB C 54 33.587 33.587 33.597 -0.010 19783 1867 1 4 . 1 1 54 54 VAL H H 54 7.004 7.004 7.600 -0.596 19783 1868 1 4 . 1 1 55 55 GLU N N 55 129.276 129.276 130.048 -0.772 19783 1869 1 4 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.732 -0.015 19783 1870 1 4 . 1 1 55 55 GLU C C 55 175.068 175.068 174.948 0.120 19783 1871 1 4 . 1 1 55 55 GLU CA C 55 55.831 55.831 54.666 1.165 19783 1872 1 4 . 1 1 55 55 GLU CB C 55 32.917 32.917 32.228 0.689 19783 1873 1 4 . 1 1 55 55 GLU H H 55 9.091 9.091 9.080 0.011 19783 1874 1 4 . 1 1 56 56 THR N N 56 126.675 126.675 119.493 7.182 19783 1875 1 4 . 1 1 56 56 THR HA H 56 4.881 4.881 4.972 -0.091 19783 1876 1 4 . 1 1 56 56 THR CA C 56 62.268 62.268 61.143 1.125 19783 1877 1 4 . 1 1 56 56 THR CB C 56 69.679 69.679 69.564 0.115 19783 1878 1 4 . 1 1 56 56 THR H H 56 9.162 9.162 8.649 0.513 19783 1879 1 4 . 1 1 57 57 GLN N N 57 127.368 127.368 125.757 1.611 19783 1880 1 4 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.462 -0.073 19783 1881 1 4 . 1 1 57 57 GLN C C 57 175.254 175.254 175.775 -0.521 19783 1882 1 4 . 1 1 57 57 GLN CA C 57 55.285 55.285 54.923 0.362 19783 1883 1 4 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.901 -0.396 19783 1884 1 4 . 1 1 57 57 GLN H H 57 8.638 8.638 8.880 -0.242 19783 1885 1 4 . 1 1 58 58 ASN N N 58 118.031 118.031 120.624 -2.593 19783 1886 1 4 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.793 0.047 19783 1887 1 4 . 1 1 58 58 ASN CA C 58 52.081 52.081 51.170 0.911 19783 1888 1 4 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.944 -1.651 19783 1889 1 4 . 1 1 58 58 ASN H H 58 8.398 8.398 8.592 -0.194 19783 1890 1 4 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.969 -0.354 19783 1891 1 4 . 1 1 59 59 PRO CA C 59 63.453 63.453 63.545 -0.092 19783 1892 1 4 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.674 -0.412 19783 1893 1 4 . 1 1 60 60 GLU N N 60 122.445 122.445 123.468 -1.023 19783 1894 1 4 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.610 0.028 19783 1895 1 4 . 1 1 60 60 GLU C C 60 175.574 175.574 174.570 1.004 19783 1896 1 4 . 1 1 60 60 GLU CA C 60 54.797 54.797 56.475 -1.678 19783 1897 1 4 . 1 1 60 60 GLU CB C 60 32.614 32.614 31.394 1.220 19783 1898 1 4 . 1 1 60 60 GLU H H 60 8.704 8.704 8.396 0.308 19783 1899 1 4 . 1 1 61 61 TRP N N 61 125.833 125.833 125.013 0.820 19783 1900 1 4 . 1 1 61 61 TRP HA H 61 5.060 5.060 4.863 0.197 19783 1901 1 4 . 1 1 61 61 TRP C C 61 176.651 176.651 174.924 1.727 19783 1902 1 4 . 1 1 61 61 TRP CA C 61 57.163 57.163 56.394 0.769 19783 1903 1 4 . 1 1 61 61 TRP CB C 61 30.886 30.886 32.733 -1.847 19783 1904 1 4 . 1 1 61 61 TRP H H 61 8.817 8.817 8.323 0.494 19783 1905 1 4 . 1 1 62 62 SER N N 62 120.682 120.682 116.672 4.010 19783 1906 1 4 . 1 1 62 62 SER HA H 62 4.424 4.424 4.251 0.173 19783 1907 1 4 . 1 1 62 62 SER C C 62 174.614 174.614 176.251 -1.637 19783 1908 1 4 . 1 1 62 62 SER CA C 62 57.422 57.422 58.818 -1.396 19783 1909 1 4 . 1 1 62 62 SER CB C 62 64.113 64.113 63.441 0.671 19783 1910 1 4 . 1 1 62 62 SER H H 62 8.551 8.551 7.681 0.870 19783 1911 1 4 . 1 1 63 63 GLY N N 63 112.655 112.655 110.350 2.305 19783 1912 1 4 . 1 1 63 63 GLY CA C 63 46.488 46.488 46.729 -0.241 19783 1913 1 4 . 1 1 63 63 GLY H H 63 6.895 6.895 8.695 -1.800 19783 1914 1 4 . 1 1 64 64 SER HA H 64 4.347 4.347 4.393 -0.046 19783 1915 1 4 . 1 1 64 64 SER CA C 64 59.027 59.027 59.976 -0.949 19783 1916 1 4 . 1 1 64 64 SER CB C 64 63.975 63.975 63.515 0.460 19783 1917 1 4 . 1 1 65 65 LYS N N 65 120.463 120.463 121.347 -0.884 19783 1918 1 4 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.602 -0.119 19783 1919 1 4 . 1 1 65 65 LYS C C 65 174.816 174.816 175.121 -0.305 19783 1920 1 4 . 1 1 65 65 LYS CA C 65 54.862 54.862 55.918 -1.056 19783 1921 1 4 . 1 1 65 65 LYS CB C 65 35.788 35.788 36.900 -1.112 19783 1922 1 4 . 1 1 65 65 LYS H H 65 7.441 7.441 8.167 -0.726 19783 1923 1 4 . 1 1 66 66 SER N N 66 117.984 117.984 116.349 1.635 19783 1924 1 4 . 1 1 66 66 SER HA H 66 4.999 4.999 5.016 -0.017 19783 1925 1 4 . 1 1 66 66 SER C C 66 172.205 172.205 173.040 -0.835 19783 1926 1 4 . 1 1 66 66 SER CA C 66 57.739 57.739 56.908 0.831 19783 1927 1 4 . 1 1 66 66 SER CB C 66 64.876 64.876 66.587 -1.711 19783 1928 1 4 . 1 1 66 66 SER H H 66 8.522 8.522 9.293 -0.771 19783 1929 1 4 . 1 1 67 67 THR N N 67 115.663 115.663 119.180 -3.517 19783 1930 1 4 . 1 1 67 67 THR HA H 67 5.608 5.608 4.810 0.798 19783 1931 1 4 . 1 1 67 67 THR C C 67 175.102 175.102 173.096 2.006 19783 1932 1 4 . 1 1 67 67 THR CA C 67 60.739 60.739 61.684 -0.946 19783 1933 1 4 . 1 1 67 67 THR CB C 67 72.013 72.013 71.054 0.959 19783 1934 1 4 . 1 1 67 67 THR H H 67 8.354 8.354 8.678 -0.324 19783 1935 1 4 . 1 1 68 68 ILE N N 68 127.394 127.394 129.055 -1.661 19783 1936 1 4 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.392 -0.089 19783 1937 1 4 . 1 1 68 68 ILE C C 68 173.519 173.519 174.135 -0.616 19783 1938 1 4 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.507 1.769 19783 1939 1 4 . 1 1 68 68 ILE CB C 68 43.127 43.127 40.573 2.554 19783 1940 1 4 . 1 1 68 68 ILE H H 68 9.529 9.529 9.011 0.518 19783 1941 1 4 . 1 1 69 69 VAL N N 69 125.903 125.903 129.112 -3.209 19783 1942 1 4 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.306 0.551 19783 1943 1 4 . 1 1 69 69 VAL C C 69 174.917 174.917 175.136 -0.219 19783 1944 1 4 . 1 1 69 69 VAL CA C 69 61.241 61.241 61.968 -0.727 19783 1945 1 4 . 1 1 69 69 VAL CB C 69 34.136 34.136 32.794 1.342 19783 1946 1 4 . 1 1 69 69 VAL H H 69 7.253 7.253 8.443 -1.190 19783 1947 1 4 . 1 1 70 70 SER N N 70 121.681 121.681 124.433 -2.752 19783 1948 1 4 . 1 1 70 70 SER HA H 70 5.397 5.397 5.802 -0.405 19783 1949 1 4 . 1 1 70 70 SER C C 70 173.047 173.047 173.690 -0.643 19783 1950 1 4 . 1 1 70 70 SER CA C 70 56.407 56.407 57.246 -0.839 19783 1951 1 4 . 1 1 70 70 SER CB C 70 64.832 64.832 65.932 -1.100 19783 1952 1 4 . 1 1 70 70 SER H H 70 9.302 9.302 9.347 -0.045 19783 1953 1 4 . 1 1 71 71 LYS N N 71 127.421 127.421 125.154 2.267 19783 1954 1 4 . 1 1 71 71 LYS HA H 71 5.360 5.360 4.895 0.465 19783 1955 1 4 . 1 1 71 71 LYS C C 71 173.603 173.603 174.510 -0.907 19783 1956 1 4 . 1 1 71 71 LYS CA C 71 54.771 54.771 55.204 -0.433 19783 1957 1 4 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.470 0.638 19783 1958 1 4 . 1 1 71 71 LYS H H 71 9.029 9.029 9.124 -0.095 19783 1959 1 4 . 1 1 72 72 LEU N N 72 124.252 124.252 122.895 1.357 19783 1960 1 4 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.650 -0.368 19783 1961 1 4 . 1 1 72 72 LEU C C 72 174.075 174.075 175.261 -1.186 19783 1962 1 4 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.685 0.315 19783 1963 1 4 . 1 1 72 72 LEU CB C 72 41.516 41.516 43.808 -2.292 19783 1964 1 4 . 1 1 72 72 LEU H H 72 8.407 8.407 8.912 -0.505 19783 1965 1 4 . 1 1 73 73 LYS N N 73 128.141 128.141 128.440 -0.299 19783 1966 1 4 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.328 0.450 19783 1967 1 4 . 1 1 73 73 LYS C C 73 176.331 176.331 174.700 1.631 19783 1968 1 4 . 1 1 73 73 LYS CA C 73 55.250 55.250 55.504 -0.254 19783 1969 1 4 . 1 1 73 73 LYS CB C 73 33.333 33.333 32.863 0.470 19783 1970 1 4 . 1 1 73 73 LYS H H 73 8.090 8.090 8.775 -0.685 19783 1971 1 4 . 1 1 74 74 VAL N N 74 121.453 121.453 120.243 1.210 19783 1972 1 4 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.392 0.240 19783 1973 1 4 . 1 1 74 74 VAL C C 74 175.590 175.590 174.479 1.111 19783 1974 1 4 . 1 1 74 74 VAL CA C 74 58.455 58.455 59.212 -0.757 19783 1975 1 4 . 1 1 74 74 VAL CB C 74 35.744 35.744 35.041 0.703 19783 1976 1 4 . 1 1 74 74 VAL H H 74 8.730 8.730 7.939 0.791 19783 1977 1 4 . 1 1 75 75 MET N N 75 119.151 119.151 119.931 -0.780 19783 1978 1 4 . 1 1 75 75 MET HA H 75 4.560 4.560 4.510 0.050 19783 1979 1 4 . 1 1 75 75 MET CA C 75 55.753 55.753 55.627 0.126 19783 1980 1 4 . 1 1 75 75 MET CB C 75 32.563 32.563 32.765 -0.202 19783 1981 1 4 . 1 1 75 75 MET H H 75 8.724 8.724 9.084 -0.360 19783 1982 1 4 . 1 1 76 76 ALA N N 76 127.351 127.351 128.025 -0.674 19783 1983 1 4 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.079 -0.337 19783 1984 1 4 . 1 1 76 76 ALA C C 76 178.487 178.487 180.036 -1.549 19783 1985 1 4 . 1 1 76 76 ALA CA C 76 55.953 55.953 55.521 0.432 19783 1986 1 4 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.318 -0.324 19783 1987 1 4 . 1 1 76 76 ALA H H 76 8.460 8.460 8.869 -0.409 19783 1988 1 4 . 1 1 77 77 SER N N 77 110.202 110.202 112.538 -2.336 19783 1989 1 4 . 1 1 77 77 SER HA H 77 4.149 4.149 4.333 -0.184 19783 1990 1 4 . 1 1 77 77 SER C C 77 176.550 176.550 176.671 -0.121 19783 1991 1 4 . 1 1 77 77 SER CA C 77 60.894 60.894 60.884 0.010 19783 1992 1 4 . 1 1 77 77 SER CB C 77 61.996 61.996 62.710 -0.714 19783 1993 1 4 . 1 1 77 77 SER H H 77 8.460 8.460 8.484 -0.024 19783 1994 1 4 . 1 1 78 78 GLU N N 78 124.828 124.828 122.847 1.981 19783 1995 1 4 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.146 0.004 19783 1996 1 4 . 1 1 78 78 GLU C C 78 179.599 179.599 178.573 1.026 19783 1997 1 4 . 1 1 78 78 GLU CA C 78 59.118 59.118 59.376 -0.258 19783 1998 1 4 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.605 1.767 19783 1999 1 4 . 1 1 78 78 GLU H H 78 7.336 7.336 7.866 -0.530 19783 2000 1 4 . 1 1 79 79 TRP N N 79 123.252 123.252 121.182 2.070 19783 2001 1 4 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.418 0.216 19783 2002 1 4 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.501 1.293 19783 2003 1 4 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.810 -0.342 19783 2004 1 4 . 1 1 79 79 TRP H H 79 7.469 7.469 8.343 -0.874 19783 2005 1 4 . 1 1 80 80 ASP N N 80 116.114 116.114 119.819 -3.705 19783 2006 1 4 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.446 -0.153 19783 2007 1 4 . 1 1 80 80 ASP C C 80 177.174 177.174 177.814 -0.640 19783 2008 1 4 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.547 0.060 19783 2009 1 4 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.642 0.692 19783 2010 1 4 . 1 1 80 80 ASP H H 80 8.816 8.816 8.029 0.787 19783 2011 1 4 . 1 1 81 81 SER N N 81 112.692 112.692 112.868 -0.176 19783 2012 1 4 . 1 1 81 81 SER HA H 81 4.338 4.338 4.459 -0.121 19783 2013 1 4 . 1 1 81 81 SER C C 81 175.203 175.203 174.956 0.247 19783 2014 1 4 . 1 1 81 81 SER CA C 81 59.645 59.645 57.719 1.925 19783 2015 1 4 . 1 1 81 81 SER CB C 81 64.055 64.055 63.818 0.237 19783 2016 1 4 . 1 1 81 81 SER H H 81 7.393 7.393 7.511 -0.118 19783 2017 1 4 . 1 1 82 82 GLY N N 82 108.811 108.811 110.025 -1.214 19783 2018 1 4 . 1 1 82 82 GLY C C 82 173.687 173.687 175.043 -1.356 19783 2019 1 4 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.726 0.494 19783 2020 1 4 . 1 1 82 82 GLY H H 82 7.587 7.587 7.567 0.020 19783 2021 1 4 . 1 1 83 83 THR N N 83 116.253 116.253 114.590 1.663 19783 2022 1 4 . 1 1 83 83 THR HA H 83 3.668 3.668 4.245 -0.577 19783 2023 1 4 . 1 1 83 83 THR C C 83 170.908 170.908 174.514 -3.606 19783 2024 1 4 . 1 1 83 83 THR CA C 83 63.674 63.674 62.193 1.481 19783 2025 1 4 . 1 1 83 83 THR CB C 83 70.037 70.037 70.177 -0.140 19783 2026 1 4 . 1 1 83 83 THR H H 83 6.788 6.788 7.543 -0.755 19783 2027 1 4 . 1 1 84 84 GLU N N 84 124.967 124.967 123.966 1.001 19783 2028 1 4 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.359 0.318 19783 2029 1 4 . 1 1 84 84 GLU C C 84 174.462 174.462 175.677 -1.215 19783 2030 1 4 . 1 1 84 84 GLU CA C 84 55.508 55.508 56.934 -1.426 19783 2031 1 4 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.228 1.816 19783 2032 1 4 . 1 1 84 84 GLU H H 84 8.006 8.006 8.432 -0.426 19783 2033 1 4 . 1 1 85 85 TYR N N 85 127.327 127.327 123.705 3.622 19783 2034 1 4 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.039 -0.090 19783 2035 1 4 . 1 1 85 85 TYR C C 85 174.563 174.563 174.243 0.320 19783 2036 1 4 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.562 0.887 19783 2037 1 4 . 1 1 85 85 TYR CB C 85 41.291 41.291 41.828 -0.537 19783 2038 1 4 . 1 1 85 85 TYR H H 85 8.993 8.993 8.282 0.711 19783 2039 1 4 . 1 1 86 86 VAL N N 86 121.985 121.985 122.469 -0.484 19783 2040 1 4 . 1 1 86 86 VAL HA H 86 4.884 4.884 4.778 0.106 19783 2041 1 4 . 1 1 86 86 VAL C C 86 173.822 173.822 173.757 0.065 19783 2042 1 4 . 1 1 86 86 VAL CA C 86 60.701 60.701 60.276 0.425 19783 2043 1 4 . 1 1 86 86 VAL CB C 86 35.536 35.536 34.787 0.749 19783 2044 1 4 . 1 1 86 86 VAL H H 86 8.873 8.873 8.350 0.523 19783 2045 1 4 . 1 1 87 87 CYS N N 87 127.376 127.376 126.840 0.536 19783 2046 1 4 . 1 1 87 87 CYS HA H 87 3.909 3.909 4.939 -1.030 19783 2047 1 4 . 1 1 87 87 CYS C C 87 171.211 171.211 172.822 -1.611 19783 2048 1 4 . 1 1 87 87 CYS CA C 87 52.879 52.879 55.499 -2.620 19783 2049 1 4 . 1 1 87 87 CYS CB C 87 44.008 44.008 28.232 15.776 19783 2050 1 4 . 1 1 87 87 CYS H H 87 8.312 8.312 8.919 -0.607 19783 2051 1 4 . 1 1 88 88 LEU N N 88 127.118 127.118 128.828 -1.710 19783 2052 1 4 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.481 -0.535 19783 2053 1 4 . 1 1 88 88 LEU C C 88 173.957 173.957 173.938 0.019 19783 2054 1 4 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.880 0.624 19783 2055 1 4 . 1 1 88 88 LEU CB C 88 45.537 45.537 46.547 -1.010 19783 2056 1 4 . 1 1 88 88 LEU H H 88 8.837 8.837 8.788 0.049 19783 2057 1 4 . 1 1 89 89 VAL N N 89 120.421 120.421 123.127 -2.706 19783 2058 1 4 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.910 -0.046 19783 2059 1 4 . 1 1 89 89 VAL C C 89 174.580 174.580 174.470 0.110 19783 2060 1 4 . 1 1 89 89 VAL CA C 89 60.421 60.421 61.033 -0.612 19783 2061 1 4 . 1 1 89 89 VAL CB C 89 34.505 34.505 34.797 -0.292 19783 2062 1 4 . 1 1 89 89 VAL H H 89 8.687 8.687 9.100 -0.413 19783 2063 1 4 . 1 1 90 90 GLU N N 90 122.482 122.482 125.942 -3.460 19783 2064 1 4 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.751 0.072 19783 2065 1 4 . 1 1 90 90 GLU C C 90 174.664 174.664 173.793 0.871 19783 2066 1 4 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.282 -0.080 19783 2067 1 4 . 1 1 90 90 GLU CB C 90 34.685 34.685 32.837 1.848 19783 2068 1 4 . 1 1 90 90 GLU H H 90 8.551 8.551 9.010 -0.459 19783 2069 1 4 . 1 1 91 91 ASP N N 91 119.348 119.348 122.132 -2.784 19783 2070 1 4 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.915 -0.171 19783 2071 1 4 . 1 1 91 91 ASP C C 91 176.921 176.921 176.924 -0.003 19783 2072 1 4 . 1 1 91 91 ASP CA C 91 54.603 54.603 52.915 1.688 19783 2073 1 4 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.892 3.666 19783 2074 1 4 . 1 1 91 91 ASP H H 91 7.980 7.980 8.374 -0.394 19783 2075 1 4 . 1 1 92 92 SER N N 92 121.504 121.504 119.722 1.782 19783 2076 1 4 . 1 1 92 92 SER HA H 92 4.158 4.158 4.131 0.027 19783 2077 1 4 . 1 1 92 92 SER C C 92 175.574 175.574 175.497 0.077 19783 2078 1 4 . 1 1 92 92 SER CA C 92 61.803 61.803 61.884 -0.081 19783 2079 1 4 . 1 1 92 92 SER CB C 92 62.911 62.911 63.410 -0.499 19783 2080 1 4 . 1 1 92 92 SER H H 92 7.973 7.973 8.960 -0.987 19783 2081 1 4 . 1 1 93 93 GLU N N 93 121.008 121.008 119.969 1.039 19783 2082 1 4 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.310 -0.021 19783 2083 1 4 . 1 1 93 93 GLU C C 93 176.517 176.517 176.245 0.272 19783 2084 1 4 . 1 1 93 93 GLU CA C 93 56.610 56.610 56.192 0.418 19783 2085 1 4 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.172 -0.197 19783 2086 1 4 . 1 1 93 93 GLU H H 93 9.782 9.782 8.128 1.654 19783 2087 1 4 . 1 1 94 94 LEU N N 94 121.375 121.375 118.391 2.984 19783 2088 1 4 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.721 0.064 19783 2089 1 4 . 1 1 94 94 LEU CA C 94 51.759 51.759 51.602 0.157 19783 2090 1 4 . 1 1 94 94 LEU CB C 94 42.854 42.854 41.518 1.336 19783 2091 1 4 . 1 1 94 94 LEU H H 94 7.802 7.802 7.398 0.404 19783 2092 1 4 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.425 -0.141 19783 2093 1 4 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.858 0.949 19783 2094 1 4 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.270 0.030 19783 2095 1 4 . 1 1 96 96 THR N N 96 109.657 109.657 109.370 0.287 19783 2096 1 4 . 1 1 96 96 THR HA H 96 4.499 4.499 4.754 -0.255 19783 2097 1 4 . 1 1 96 96 THR CA C 96 58.673 58.673 58.960 -0.287 19783 2098 1 4 . 1 1 96 96 THR CB C 96 70.994 70.994 70.650 0.344 19783 2099 1 4 . 1 1 96 96 THR H H 96 7.094 7.094 7.503 -0.409 19783 2100 1 4 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.625 0.121 19783 2101 1 4 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.862 0.432 19783 2102 1 4 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.349 0.620 19783 2103 1 4 . 1 1 98 98 VAL N N 98 122.997 122.997 123.817 -0.820 19783 2104 1 4 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.303 -0.095 19783 2105 1 4 . 1 1 98 98 VAL C C 98 173.923 173.923 175.090 -1.167 19783 2106 1 4 . 1 1 98 98 VAL CA C 98 61.972 61.972 61.599 0.373 19783 2107 1 4 . 1 1 98 98 VAL CB C 98 33.468 33.468 31.799 1.669 19783 2108 1 4 . 1 1 98 98 VAL H H 98 8.358 8.358 8.809 -0.451 19783 2109 1 4 . 1 1 99 99 LYS N N 99 122.194 122.194 126.937 -4.743 19783 2110 1 4 . 1 1 99 99 LYS HA H 99 5.482 5.482 4.846 0.636 19783 2111 1 4 . 1 1 99 99 LYS C C 99 174.984 174.984 175.164 -0.180 19783 2112 1 4 . 1 1 99 99 LYS CA C 99 54.322 54.322 54.170 0.152 19783 2113 1 4 . 1 1 99 99 LYS CB C 99 37.320 37.320 34.878 2.442 19783 2114 1 4 . 1 1 99 99 LYS H H 99 8.340 8.340 8.386 -0.046 19783 2115 1 4 . 1 1 100 100 ALA N N 100 123.875 123.875 124.211 -0.336 19783 2116 1 4 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.534 0.104 19783 2117 1 4 . 1 1 100 100 ALA C C 100 174.243 174.243 174.937 -0.694 19783 2118 1 4 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.507 -0.115 19783 2119 1 4 . 1 1 100 100 ALA CB C 100 23.012 23.012 20.906 2.106 19783 2120 1 4 . 1 1 100 100 ALA H H 100 8.600 8.600 8.534 0.066 19783 2121 1 4 . 1 1 101 101 SER N N 101 114.189 114.189 117.419 -3.230 19783 2122 1 4 . 1 1 101 101 SER HA H 101 5.761 5.761 5.603 0.158 19783 2123 1 4 . 1 1 101 101 SER C C 101 173.519 173.519 173.419 0.100 19783 2124 1 4 . 1 1 101 101 SER CA C 101 56.346 56.346 56.301 0.045 19783 2125 1 4 . 1 1 101 101 SER CB C 101 67.504 67.504 65.377 2.127 19783 2126 1 4 . 1 1 101 101 SER H H 101 8.367 8.367 8.384 -0.017 19783 2127 1 4 . 1 1 102 102 ILE N N 102 121.742 121.742 122.290 -0.548 19783 2128 1 4 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.654 0.124 19783 2129 1 4 . 1 1 102 102 ILE C C 102 170.824 170.824 173.615 -2.791 19783 2130 1 4 . 1 1 102 102 ILE CA C 102 61.198 61.198 59.480 1.718 19783 2131 1 4 . 1 1 102 102 ILE CB C 102 41.820 41.820 41.860 -0.040 19783 2132 1 4 . 1 1 102 102 ILE H H 102 9.317 9.317 9.170 0.147 19783 2133 1 4 . 1 1 103 103 ARG N N 103 120.111 120.111 125.792 -5.681 19783 2134 1 4 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.759 -0.178 19783 2135 1 4 . 1 1 103 103 ARG C C 103 174.411 174.411 174.726 -0.315 19783 2136 1 4 . 1 1 103 103 ARG CA C 103 54.474 54.474 54.012 0.462 19783 2137 1 4 . 1 1 103 103 ARG CB C 103 34.589 34.589 32.020 2.569 19783 2138 1 4 . 1 1 103 103 ARG H H 103 7.525 7.525 8.375 -0.850 19783 2139 1 4 . 1 1 104 104 LYS N N 104 126.177 126.177 122.159 4.018 19783 2140 1 4 . 1 1 104 104 LYS HA H 104 3.614 3.614 3.943 -0.329 19783 2141 1 4 . 1 1 104 104 LYS C C 104 175.287 175.287 175.291 -0.004 19783 2142 1 4 . 1 1 104 104 LYS CA C 104 58.288 58.288 56.332 1.956 19783 2143 1 4 . 1 1 104 104 LYS CB C 104 32.169 32.169 32.176 -0.007 19783 2144 1 4 . 1 1 104 104 LYS H H 104 9.077 9.077 8.339 0.738 19783 2145 1 5 . 1 1 2 2 GLY CA C 2 43.533 43.533 44.699 -1.165 19783 2146 1 5 . 1 1 3 3 ARG HA H 3 4.368 4.368 4.472 -0.104 19783 2147 1 5 . 1 1 3 3 ARG CA C 3 56.394 56.394 55.617 0.777 19783 2148 1 5 . 1 1 3 3 ARG CB C 3 31.358 31.358 29.759 1.599 19783 2149 1 5 . 1 1 4 4 GLN N N 4 122.771 122.771 118.706 4.065 19783 2150 1 5 . 1 1 4 4 GLN HA H 4 4.393 4.393 4.150 0.243 19783 2151 1 5 . 1 1 4 4 GLN C C 4 175.843 175.843 176.035 -0.192 19783 2152 1 5 . 1 1 4 4 GLN CA C 4 56.155 56.155 57.647 -1.492 19783 2153 1 5 . 1 1 4 4 GLN CB C 4 29.413 29.413 27.995 1.418 19783 2154 1 5 . 1 1 4 4 GLN H H 4 8.899 8.899 8.030 0.869 19783 2155 1 5 . 1 1 5 5 THR N N 5 115.866 115.866 117.978 -2.112 19783 2156 1 5 . 1 1 5 5 THR HA H 5 4.276 4.276 4.362 -0.086 19783 2157 1 5 . 1 1 5 5 THR C C 5 173.957 173.957 173.469 0.488 19783 2158 1 5 . 1 1 5 5 THR CA C 5 62.295 62.295 62.661 -0.366 19783 2159 1 5 . 1 1 5 5 THR CB C 5 69.957 69.957 68.504 1.453 19783 2160 1 5 . 1 1 5 5 THR H H 5 8.063 8.063 7.946 0.117 19783 2161 1 5 . 1 1 6 6 ASP N N 6 124.653 124.653 129.183 -4.530 19783 2162 1 5 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.861 -0.111 19783 2163 1 5 . 1 1 6 6 ASP C C 6 174.159 174.159 174.050 0.109 19783 2164 1 5 . 1 1 6 6 ASP CA C 6 54.022 54.022 53.677 0.345 19783 2165 1 5 . 1 1 6 6 ASP CB C 6 41.741 41.741 43.344 -1.603 19783 2166 1 5 . 1 1 6 6 ASP H H 6 8.499 8.499 8.133 0.366 19783 2167 1 5 . 1 1 7 7 ILE N N 7 119.741 119.741 126.015 -6.274 19783 2168 1 5 . 1 1 7 7 ILE HA H 7 4.992 4.992 5.049 -0.057 19783 2169 1 5 . 1 1 7 7 ILE C C 7 173.334 173.334 174.672 -1.338 19783 2170 1 5 . 1 1 7 7 ILE CA C 7 60.213 60.213 59.573 0.640 19783 2171 1 5 . 1 1 7 7 ILE CB C 7 40.206 40.206 39.414 0.792 19783 2172 1 5 . 1 1 7 7 ILE H H 7 7.799 7.799 8.561 -0.762 19783 2173 1 5 . 1 1 8 8 SER N N 8 121.920 121.920 126.579 -4.659 19783 2174 1 5 . 1 1 8 8 SER HA H 8 4.694 4.694 4.752 -0.058 19783 2175 1 5 . 1 1 8 8 SER C C 8 172.508 172.508 172.715 -0.207 19783 2176 1 5 . 1 1 8 8 SER CA C 8 56.801 56.801 57.378 -0.577 19783 2177 1 5 . 1 1 8 8 SER CB C 8 65.356 65.356 64.722 0.634 19783 2178 1 5 . 1 1 8 8 SER H H 8 8.850 8.850 9.002 -0.152 19783 2179 1 5 . 1 1 9 9 VAL N N 9 125.845 125.845 127.803 -1.958 19783 2180 1 5 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.391 0.218 19783 2181 1 5 . 1 1 9 9 VAL C C 9 174.647 174.647 175.711 -1.064 19783 2182 1 5 . 1 1 9 9 VAL CA C 9 61.730 61.730 61.808 -0.078 19783 2183 1 5 . 1 1 9 9 VAL CB C 9 34.372 34.372 32.436 1.936 19783 2184 1 5 . 1 1 9 9 VAL H H 9 8.452 8.452 8.739 -0.287 19783 2185 1 5 . 1 1 10 10 SER N N 10 121.312 121.312 125.768 -4.456 19783 2186 1 5 . 1 1 10 10 SER HA H 10 4.725 4.725 4.718 0.007 19783 2187 1 5 . 1 1 10 10 SER C C 10 171.784 171.784 172.515 -0.731 19783 2188 1 5 . 1 1 10 10 SER CA C 10 57.060 57.060 57.022 0.038 19783 2189 1 5 . 1 1 10 10 SER CB C 10 65.764 65.764 63.691 2.073 19783 2190 1 5 . 1 1 10 10 SER H H 10 8.624 8.624 9.165 -0.541 19783 2191 1 5 . 1 1 11 11 LEU N N 11 124.101 124.101 129.305 -5.204 19783 2192 1 5 . 1 1 11 11 LEU HA H 11 5.475 5.475 4.942 0.533 19783 2193 1 5 . 1 1 11 11 LEU C C 11 175.894 175.894 175.408 0.486 19783 2194 1 5 . 1 1 11 11 LEU CA C 11 53.556 53.556 54.220 -0.664 19783 2195 1 5 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.733 2.672 19783 2196 1 5 . 1 1 11 11 LEU H H 11 8.443 8.443 8.747 -0.304 19783 2197 1 5 . 1 1 12 12 LEU N N 12 124.363 124.363 129.953 -5.590 19783 2198 1 5 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.840 -0.261 19783 2199 1 5 . 1 1 12 12 LEU C C 12 175.708 175.708 174.449 1.259 19783 2200 1 5 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.365 0.299 19783 2201 1 5 . 1 1 12 12 LEU CB C 12 43.727 43.727 45.669 -1.942 19783 2202 1 5 . 1 1 12 12 LEU H H 12 8.977 8.977 9.294 -0.317 19783 2203 1 5 . 1 1 13 13 LYS N N 13 121.228 121.228 126.657 -5.429 19783 2204 1 5 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.475 -0.459 19783 2205 1 5 . 1 1 13 13 LYS CA C 13 54.332 54.332 53.636 0.696 19783 2206 1 5 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.922 -0.135 19783 2207 1 5 . 1 1 13 13 LYS H H 13 8.151 8.151 8.440 -0.289 19783 2208 1 5 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.460 -0.037 19783 2209 1 5 . 1 1 15 15 PRO CA C 15 62.405 62.405 63.302 -0.897 19783 2210 1 5 . 1 1 15 15 PRO CB C 15 31.948 31.948 31.919 0.029 19783 2211 1 5 . 1 1 16 16 PHE N N 16 123.773 123.773 126.584 -2.811 19783 2212 1 5 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.558 -0.491 19783 2213 1 5 . 1 1 16 16 PHE CA C 16 60.874 60.874 57.409 3.465 19783 2214 1 5 . 1 1 16 16 PHE CB C 16 39.063 39.063 38.764 0.298 19783 2215 1 5 . 1 1 16 16 PHE H H 16 8.348 8.348 8.811 -0.463 19783 2216 1 5 . 1 1 19 19 ILE HA H 19 3.764 3.764 3.930 -0.166 19783 2217 1 5 . 1 1 19 19 ILE CA C 19 64.709 64.709 62.521 2.188 19783 2218 1 5 . 1 1 19 19 ILE CB C 19 38.630 38.630 38.250 0.380 19783 2219 1 5 . 1 1 19 19 ILE H H 19 8.268 8.268 8.052 0.216 19783 2220 1 5 . 1 1 20 20 TRP N N 20 119.035 119.035 121.831 -2.796 19783 2221 1 5 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.673 0.269 19783 2222 1 5 . 1 1 20 20 TRP C C 20 173.974 173.974 175.866 -1.892 19783 2223 1 5 . 1 1 20 20 TRP CA C 20 55.508 55.508 55.832 -0.324 19783 2224 1 5 . 1 1 20 20 TRP CB C 20 29.892 29.892 29.695 0.197 19783 2225 1 5 . 1 1 20 20 TRP H H 20 8.275 8.275 7.704 0.571 19783 2226 1 5 . 1 1 21 21 THR N N 21 122.056 122.056 116.661 5.395 19783 2227 1 5 . 1 1 21 21 THR HA H 21 4.585 4.585 4.267 0.318 19783 2228 1 5 . 1 1 21 21 THR CB C 21 70.303 70.303 69.545 0.758 19783 2229 1 5 . 1 1 21 21 THR H H 21 8.470 8.470 8.507 -0.037 19783 2230 1 5 . 1 1 23 23 GLN N N 23 123.024 123.024 117.618 5.406 19783 2231 1 5 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.589 -0.440 19783 2232 1 5 . 1 1 23 23 GLN CA C 23 58.179 58.179 54.540 3.639 19783 2233 1 5 . 1 1 23 23 GLN CB C 23 26.860 26.860 31.220 -4.360 19783 2234 1 5 . 1 1 23 23 GLN H H 23 8.638 8.638 7.906 0.732 19783 2235 1 5 . 1 1 24 24 THR N N 24 110.779 110.779 110.899 -0.120 19783 2236 1 5 . 1 1 24 24 THR HA H 24 4.785 4.785 4.467 0.318 19783 2237 1 5 . 1 1 24 24 THR CA C 24 60.278 60.278 61.153 -0.875 19783 2238 1 5 . 1 1 24 24 THR CB C 24 72.143 72.143 69.488 2.655 19783 2239 1 5 . 1 1 24 24 THR H H 24 7.402 7.402 8.159 -0.757 19783 2240 1 5 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.542 -0.449 19783 2241 1 5 . 1 1 25 25 ALA CA C 25 53.882 53.882 51.561 2.321 19783 2242 1 5 . 1 1 25 25 ALA CB C 25 19.459 19.459 18.693 0.766 19783 2243 1 5 . 1 1 26 26 THR N N 26 116.103 116.103 111.728 4.375 19783 2244 1 5 . 1 1 26 26 THR CB C 26 69.894 69.894 69.224 0.670 19783 2245 1 5 . 1 1 26 26 THR H H 26 7.874 7.874 7.147 0.727 19783 2246 1 5 . 1 1 27 27 ILE HA H 27 3.717 3.717 3.824 -0.107 19783 2247 1 5 . 1 1 27 27 ILE CA C 27 60.996 60.996 58.478 2.518 19783 2248 1 5 . 1 1 27 27 ILE CB C 27 39.127 39.127 37.986 1.141 19783 2249 1 5 . 1 1 27 27 ILE H H 27 8.853 8.853 7.921 0.932 19783 2250 1 5 . 1 1 28 28 VAL N N 28 125.545 125.545 124.275 1.270 19783 2251 1 5 . 1 1 28 28 VAL HA H 28 4.651 4.651 4.641 0.010 19783 2252 1 5 . 1 1 28 28 VAL C C 28 173.536 173.536 173.844 -0.308 19783 2253 1 5 . 1 1 28 28 VAL CA C 28 62.257 62.257 61.492 0.765 19783 2254 1 5 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.334 -1.148 19783 2255 1 5 . 1 1 28 28 VAL H H 28 7.502 7.502 8.512 -1.010 19783 2256 1 5 . 1 1 29 29 CYS N N 29 128.977 128.977 128.732 0.245 19783 2257 1 5 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.334 -0.152 19783 2258 1 5 . 1 1 29 29 CYS C C 29 172.070 172.070 173.273 -1.203 19783 2259 1 5 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.096 -2.715 19783 2260 1 5 . 1 1 29 29 CYS CB C 29 43.709 43.709 28.613 15.096 19783 2261 1 5 . 1 1 29 29 CYS H H 29 9.907 9.907 9.687 0.220 19783 2262 1 5 . 1 1 30 30 GLU N N 30 126.688 126.688 129.686 -2.998 19783 2263 1 5 . 1 1 30 30 GLU HA H 30 4.852 4.852 5.355 -0.503 19783 2264 1 5 . 1 1 30 30 GLU CA C 30 55.742 55.742 54.578 1.165 19783 2265 1 5 . 1 1 30 30 GLU CB C 30 32.387 32.387 31.955 0.432 19783 2266 1 5 . 1 1 30 30 GLU H H 30 9.217 9.217 9.218 -0.001 19783 2267 1 5 . 1 1 31 31 ILE N N 31 130.021 130.021 120.718 9.303 19783 2268 1 5 . 1 1 31 31 ILE HA H 31 4.944 4.944 5.185 -0.241 19783 2269 1 5 . 1 1 31 31 ILE C C 31 174.580 174.580 173.781 0.799 19783 2270 1 5 . 1 1 31 31 ILE CA C 31 60.795 60.795 58.128 2.667 19783 2271 1 5 . 1 1 31 31 ILE CB C 31 40.658 40.658 39.891 0.767 19783 2272 1 5 . 1 1 31 31 ILE H H 31 9.119 9.119 9.252 -0.133 19783 2273 1 5 . 1 1 32 32 VAL N N 32 127.671 127.671 126.463 1.208 19783 2274 1 5 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.614 0.610 19783 2275 1 5 . 1 1 32 32 VAL C C 32 176.331 176.331 174.740 1.591 19783 2276 1 5 . 1 1 32 32 VAL CA C 32 61.204 61.204 60.508 0.696 19783 2277 1 5 . 1 1 32 32 VAL CB C 32 34.236 34.236 32.826 1.410 19783 2278 1 5 . 1 1 32 32 VAL H H 32 8.723 8.723 8.513 0.210 19783 2279 1 5 . 1 1 33 33 TYR N N 33 125.563 125.563 122.420 3.143 19783 2280 1 5 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.829 -0.444 19783 2281 1 5 . 1 1 33 33 TYR C C 33 172.424 172.424 173.899 -1.475 19783 2282 1 5 . 1 1 33 33 TYR CA C 33 56.468 56.468 55.171 1.297 19783 2283 1 5 . 1 1 33 33 TYR CB C 33 41.612 41.612 41.064 0.548 19783 2284 1 5 . 1 1 33 33 TYR H H 33 9.114 9.114 9.006 0.108 19783 2285 1 5 . 1 1 34 34 SER N N 34 111.556 111.556 115.584 -4.028 19783 2286 1 5 . 1 1 34 34 SER HA H 34 4.749 4.749 4.834 -0.085 19783 2287 1 5 . 1 1 34 34 SER C C 34 174.108 174.108 173.844 0.264 19783 2288 1 5 . 1 1 34 34 SER CA C 34 57.900 57.900 57.054 0.846 19783 2289 1 5 . 1 1 34 34 SER CB C 34 65.956 65.956 65.283 0.673 19783 2290 1 5 . 1 1 34 34 SER H H 34 8.342 8.342 8.521 -0.179 19783 2291 1 5 . 1 1 35 35 ASP N N 35 118.304 118.304 120.368 -2.064 19783 2292 1 5 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.393 -0.028 19783 2293 1 5 . 1 1 35 35 ASP C C 35 175.018 175.018 174.837 0.181 19783 2294 1 5 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.725 1.076 19783 2295 1 5 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.453 -0.096 19783 2296 1 5 . 1 1 35 35 ASP H H 35 8.672 8.672 8.687 -0.015 19783 2297 1 5 . 1 1 36 36 LEU N N 36 117.764 117.764 117.398 0.366 19783 2298 1 5 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.370 0.154 19783 2299 1 5 . 1 1 36 36 LEU C C 36 177.157 177.157 176.732 0.425 19783 2300 1 5 . 1 1 36 36 LEU CA C 36 55.171 55.171 53.554 1.617 19783 2301 1 5 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.247 0.036 19783 2302 1 5 . 1 1 36 36 LEU H H 36 7.357 7.357 7.564 -0.207 19783 2303 1 5 . 1 1 37 37 GLU N N 37 120.855 120.855 120.218 0.637 19783 2304 1 5 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.377 0.085 19783 2305 1 5 . 1 1 37 37 GLU C C 37 176.584 176.584 175.378 1.206 19783 2306 1 5 . 1 1 37 37 GLU CA C 37 57.020 57.020 54.892 2.128 19783 2307 1 5 . 1 1 37 37 GLU CB C 37 32.512 32.512 32.080 0.432 19783 2308 1 5 . 1 1 37 37 GLU H H 37 9.557 9.557 8.538 1.019 19783 2309 1 5 . 1 1 38 38 ASN N N 38 122.459 122.459 118.375 4.084 19783 2310 1 5 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.513 0.421 19783 2311 1 5 . 1 1 38 38 ASN C C 38 174.192 174.192 175.216 -1.024 19783 2312 1 5 . 1 1 38 38 ASN CA C 38 52.794 52.794 53.640 -0.846 19783 2313 1 5 . 1 1 38 38 ASN CB C 38 40.087 40.087 37.895 2.192 19783 2314 1 5 . 1 1 38 38 ASN H H 38 9.124 9.124 8.367 0.757 19783 2315 1 5 . 1 1 39 39 ILE N N 39 119.708 119.708 121.968 -2.260 19783 2316 1 5 . 1 1 39 39 ILE HA H 39 4.160 4.160 4.082 0.078 19783 2317 1 5 . 1 1 39 39 ILE C C 39 176.416 176.416 176.496 -0.080 19783 2318 1 5 . 1 1 39 39 ILE CA C 39 62.166 62.166 61.632 0.534 19783 2319 1 5 . 1 1 39 39 ILE CB C 39 38.218 38.218 38.531 -0.313 19783 2320 1 5 . 1 1 39 39 ILE H H 39 7.252 7.252 7.975 -0.723 19783 2321 1 5 . 1 1 40 40 LYS N N 40 128.321 128.321 127.728 0.593 19783 2322 1 5 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.731 -0.328 19783 2323 1 5 . 1 1 40 40 LYS C C 40 173.755 173.755 174.743 -0.988 19783 2324 1 5 . 1 1 40 40 LYS CA C 40 55.056 55.056 55.151 -0.095 19783 2325 1 5 . 1 1 40 40 LYS CB C 40 36.010 36.010 33.976 2.034 19783 2326 1 5 . 1 1 40 40 LYS H H 40 8.760 8.760 8.723 0.037 19783 2327 1 5 . 1 1 41 41 VAL N N 41 121.679 121.679 126.418 -4.739 19783 2328 1 5 . 1 1 41 41 VAL HA H 41 4.760 4.760 5.004 -0.244 19783 2329 1 5 . 1 1 41 41 VAL C C 41 175.405 175.405 175.415 -0.010 19783 2330 1 5 . 1 1 41 41 VAL CA C 41 60.873 60.873 61.511 -0.638 19783 2331 1 5 . 1 1 41 41 VAL CB C 41 33.886 33.886 33.382 0.504 19783 2332 1 5 . 1 1 41 41 VAL H H 41 7.902 7.902 8.474 -0.572 19783 2333 1 5 . 1 1 42 42 PHE N N 42 126.800 126.800 126.491 0.309 19783 2334 1 5 . 1 1 42 42 PHE HA H 42 4.869 4.869 5.014 -0.145 19783 2335 1 5 . 1 1 42 42 PHE C C 42 172.340 172.340 173.715 -1.375 19783 2336 1 5 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.749 -0.659 19783 2337 1 5 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.544 -1.554 19783 2338 1 5 . 1 1 42 42 PHE H H 42 9.352 9.352 9.042 0.310 19783 2339 1 5 . 1 1 43 43 TRP N N 43 119.314 119.314 124.638 -5.324 19783 2340 1 5 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.583 0.152 19783 2341 1 5 . 1 1 43 43 TRP C C 43 177.393 177.393 174.115 3.278 19783 2342 1 5 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.359 0.536 19783 2343 1 5 . 1 1 43 43 TRP CB C 43 32.055 32.055 33.019 -0.964 19783 2344 1 5 . 1 1 43 43 TRP H H 43 8.847 8.847 7.985 0.862 19783 2345 1 5 . 1 1 44 44 GLN N N 44 118.782 118.782 121.070 -2.288 19783 2346 1 5 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.581 0.423 19783 2347 1 5 . 1 1 44 44 GLN C C 44 175.035 175.035 174.008 1.027 19783 2348 1 5 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.604 -0.441 19783 2349 1 5 . 1 1 44 44 GLN CB C 44 33.065 33.065 33.023 0.042 19783 2350 1 5 . 1 1 44 44 GLN H H 44 9.376 9.376 8.538 0.838 19783 2351 1 5 . 1 1 45 45 VAL N N 45 121.659 121.659 126.474 -4.815 19783 2352 1 5 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.751 -0.345 19783 2353 1 5 . 1 1 45 45 VAL C C 45 176.921 176.921 175.672 1.249 19783 2354 1 5 . 1 1 45 45 VAL CA C 45 61.827 61.827 59.871 1.956 19783 2355 1 5 . 1 1 45 45 VAL CB C 45 34.260 34.260 32.493 1.766 19783 2356 1 5 . 1 1 45 45 VAL H H 45 8.796 8.796 8.961 -0.165 19783 2357 1 5 . 1 1 46 46 ASN N N 46 128.796 128.796 126.427 2.369 19783 2358 1 5 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.321 0.062 19783 2359 1 5 . 1 1 46 46 ASN C C 46 175.523 175.523 175.583 -0.060 19783 2360 1 5 . 1 1 46 46 ASN CA C 46 54.279 54.279 54.053 0.226 19783 2361 1 5 . 1 1 46 46 ASN CB C 46 37.485 37.485 36.958 0.527 19783 2362 1 5 . 1 1 46 46 ASN H H 46 9.628 9.628 9.043 0.585 19783 2363 1 5 . 1 1 47 47 GLY N N 47 102.032 102.032 102.047 -0.015 19783 2364 1 5 . 1 1 47 47 GLY C C 47 173.519 173.519 174.266 -0.747 19783 2365 1 5 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.510 -0.037 19783 2366 1 5 . 1 1 47 47 GLY H H 47 8.820 8.820 8.475 0.345 19783 2367 1 5 . 1 1 48 48 VAL N N 48 120.265 120.265 122.948 -2.683 19783 2368 1 5 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.223 0.032 19783 2369 1 5 . 1 1 48 48 VAL C C 48 175.691 175.691 175.476 0.215 19783 2370 1 5 . 1 1 48 48 VAL CA C 48 61.080 61.080 61.188 -0.108 19783 2371 1 5 . 1 1 48 48 VAL CB C 48 34.420 34.420 33.066 1.355 19783 2372 1 5 . 1 1 48 48 VAL H H 48 7.529 7.529 7.608 -0.079 19783 2373 1 5 . 1 1 49 49 GLU N N 49 128.059 128.059 125.705 2.354 19783 2374 1 5 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.221 0.516 19783 2375 1 5 . 1 1 49 49 GLU C C 49 175.927 175.927 176.396 -0.469 19783 2376 1 5 . 1 1 49 49 GLU CA C 49 57.835 57.835 57.847 -0.012 19783 2377 1 5 . 1 1 49 49 GLU CB C 49 29.551 29.551 30.448 -0.897 19783 2378 1 5 . 1 1 49 49 GLU H H 49 8.851 8.851 8.837 0.014 19783 2379 1 5 . 1 1 50 50 ARG N N 50 128.391 128.391 126.418 1.973 19783 2380 1 5 . 1 1 50 50 ARG CA C 50 54.280 54.280 55.383 -1.103 19783 2381 1 5 . 1 1 50 50 ARG CB C 50 32.304 32.304 30.213 2.091 19783 2382 1 5 . 1 1 50 50 ARG H H 50 8.704 8.704 7.964 0.740 19783 2383 1 5 . 1 1 51 51 LYS N N 51 124.441 124.441 127.160 -2.719 19783 2384 1 5 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.219 0.310 19783 2385 1 5 . 1 1 51 51 LYS CA C 51 56.868 56.868 56.622 0.246 19783 2386 1 5 . 1 1 51 51 LYS CB C 51 34.604 34.604 33.061 1.543 19783 2387 1 5 . 1 1 51 51 LYS H H 51 8.772 8.772 8.478 0.294 19783 2388 1 5 . 1 1 52 52 LYS N N 52 122.374 122.374 119.862 2.512 19783 2389 1 5 . 1 1 52 52 LYS HA H 52 4.197 4.197 3.984 0.213 19783 2390 1 5 . 1 1 52 52 LYS C C 52 176.921 176.921 177.341 -0.420 19783 2391 1 5 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.685 -0.206 19783 2392 1 5 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.563 0.479 19783 2393 1 5 . 1 1 52 52 LYS H H 52 7.752 7.752 8.323 -0.571 19783 2394 1 5 . 1 1 53 53 GLY N N 53 112.970 112.970 105.834 7.136 19783 2395 1 5 . 1 1 53 53 GLY C C 53 173.872 173.872 172.764 1.108 19783 2396 1 5 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.769 0.887 19783 2397 1 5 . 1 1 53 53 GLY H H 53 8.832 8.832 8.408 0.424 19783 2398 1 5 . 1 1 54 54 VAL N N 54 120.474 120.474 121.893 -1.419 19783 2399 1 5 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.723 -0.240 19783 2400 1 5 . 1 1 54 54 VAL C C 54 176.870 176.870 174.781 2.089 19783 2401 1 5 . 1 1 54 54 VAL CA C 54 62.101 62.101 61.568 0.533 19783 2402 1 5 . 1 1 54 54 VAL CB C 54 33.587 33.587 32.796 0.791 19783 2403 1 5 . 1 1 54 54 VAL H H 54 7.004 7.004 7.640 -0.636 19783 2404 1 5 . 1 1 55 55 GLU N N 55 129.276 129.276 130.019 -0.743 19783 2405 1 5 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.711 0.006 19783 2406 1 5 . 1 1 55 55 GLU C C 55 175.068 175.068 175.202 -0.134 19783 2407 1 5 . 1 1 55 55 GLU CA C 55 55.831 55.831 54.805 1.026 19783 2408 1 5 . 1 1 55 55 GLU CB C 55 32.917 32.917 32.072 0.845 19783 2409 1 5 . 1 1 55 55 GLU H H 55 9.091 9.091 8.991 0.100 19783 2410 1 5 . 1 1 56 56 THR N N 56 126.675 126.675 121.571 5.104 19783 2411 1 5 . 1 1 56 56 THR HA H 56 4.881 4.881 4.798 0.083 19783 2412 1 5 . 1 1 56 56 THR CA C 56 62.268 62.268 62.649 -0.381 19783 2413 1 5 . 1 1 56 56 THR CB C 56 69.679 69.679 69.537 0.142 19783 2414 1 5 . 1 1 56 56 THR H H 56 9.162 9.162 8.721 0.441 19783 2415 1 5 . 1 1 57 57 GLN N N 57 127.368 127.368 125.533 1.835 19783 2416 1 5 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.561 -0.172 19783 2417 1 5 . 1 1 57 57 GLN C C 57 175.254 175.254 175.270 -0.016 19783 2418 1 5 . 1 1 57 57 GLN CA C 57 55.285 55.285 54.195 1.090 19783 2419 1 5 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.799 -0.294 19783 2420 1 5 . 1 1 57 57 GLN H H 57 8.638 8.638 9.015 -0.377 19783 2421 1 5 . 1 1 58 58 ASN N N 58 118.031 118.031 119.982 -1.951 19783 2422 1 5 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.856 -0.016 19783 2423 1 5 . 1 1 58 58 ASN CA C 58 52.081 52.081 51.669 0.412 19783 2424 1 5 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.982 -1.689 19783 2425 1 5 . 1 1 58 58 ASN H H 58 8.398 8.398 8.503 -0.105 19783 2426 1 5 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.847 -0.232 19783 2427 1 5 . 1 1 59 59 PRO CA C 59 63.453 63.453 63.621 -0.168 19783 2428 1 5 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.418 -0.156 19783 2429 1 5 . 1 1 60 60 GLU N N 60 122.445 122.445 123.596 -1.151 19783 2430 1 5 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.626 0.012 19783 2431 1 5 . 1 1 60 60 GLU C C 60 175.574 175.574 174.421 1.153 19783 2432 1 5 . 1 1 60 60 GLU CA C 60 54.797 54.797 56.145 -1.348 19783 2433 1 5 . 1 1 60 60 GLU CB C 60 32.614 32.614 31.934 0.680 19783 2434 1 5 . 1 1 60 60 GLU H H 60 8.704 8.704 8.865 -0.161 19783 2435 1 5 . 1 1 61 61 TRP N N 61 125.833 125.833 126.224 -0.391 19783 2436 1 5 . 1 1 61 61 TRP HA H 61 5.060 5.060 4.843 0.217 19783 2437 1 5 . 1 1 61 61 TRP C C 61 176.651 176.651 174.891 1.760 19783 2438 1 5 . 1 1 61 61 TRP CA C 61 57.163 57.163 56.334 0.829 19783 2439 1 5 . 1 1 61 61 TRP CB C 61 30.886 30.886 32.807 -1.921 19783 2440 1 5 . 1 1 61 61 TRP H H 61 8.817 8.817 8.241 0.576 19783 2441 1 5 . 1 1 62 62 SER N N 62 120.682 120.682 116.581 4.101 19783 2442 1 5 . 1 1 62 62 SER HA H 62 4.424 4.424 4.185 0.239 19783 2443 1 5 . 1 1 62 62 SER C C 62 174.614 174.614 175.735 -1.121 19783 2444 1 5 . 1 1 62 62 SER CA C 62 57.422 57.422 59.125 -1.703 19783 2445 1 5 . 1 1 62 62 SER CB C 62 64.113 64.113 63.376 0.737 19783 2446 1 5 . 1 1 62 62 SER H H 62 8.551 8.551 7.563 0.988 19783 2447 1 5 . 1 1 63 63 GLY N N 63 112.655 112.655 111.177 1.478 19783 2448 1 5 . 1 1 63 63 GLY CA C 63 46.488 46.488 45.952 0.536 19783 2449 1 5 . 1 1 63 63 GLY H H 63 6.895 6.895 8.839 -1.944 19783 2450 1 5 . 1 1 64 64 SER HA H 64 4.347 4.347 4.609 -0.262 19783 2451 1 5 . 1 1 64 64 SER CA C 64 59.027 59.027 58.852 0.175 19783 2452 1 5 . 1 1 64 64 SER CB C 64 63.975 63.975 65.728 -1.752 19783 2453 1 5 . 1 1 65 65 LYS N N 65 120.463 120.463 119.525 0.938 19783 2454 1 5 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.574 -0.091 19783 2455 1 5 . 1 1 65 65 LYS C C 65 174.816 174.816 174.533 0.283 19783 2456 1 5 . 1 1 65 65 LYS CA C 65 54.862 54.862 55.345 -0.483 19783 2457 1 5 . 1 1 65 65 LYS CB C 65 35.788 35.788 35.972 -0.184 19783 2458 1 5 . 1 1 65 65 LYS H H 65 7.441 7.441 8.197 -0.756 19783 2459 1 5 . 1 1 66 66 SER N N 66 117.984 117.984 115.444 2.540 19783 2460 1 5 . 1 1 66 66 SER HA H 66 4.999 4.999 4.978 0.021 19783 2461 1 5 . 1 1 66 66 SER C C 66 172.205 172.205 173.350 -1.145 19783 2462 1 5 . 1 1 66 66 SER CA C 66 57.739 57.739 57.107 0.632 19783 2463 1 5 . 1 1 66 66 SER CB C 66 64.876 64.876 66.375 -1.499 19783 2464 1 5 . 1 1 66 66 SER H H 66 8.522 8.522 8.839 -0.317 19783 2465 1 5 . 1 1 67 67 THR N N 67 115.663 115.663 118.745 -3.082 19783 2466 1 5 . 1 1 67 67 THR HA H 67 5.608 5.608 4.883 0.725 19783 2467 1 5 . 1 1 67 67 THR C C 67 175.102 175.102 173.142 1.960 19783 2468 1 5 . 1 1 67 67 THR CA C 67 60.739 60.739 61.713 -0.974 19783 2469 1 5 . 1 1 67 67 THR CB C 67 72.013 72.013 71.493 0.520 19783 2470 1 5 . 1 1 67 67 THR H H 67 8.354 8.354 8.630 -0.276 19783 2471 1 5 . 1 1 68 68 ILE N N 68 127.394 127.394 128.630 -1.236 19783 2472 1 5 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.412 -0.109 19783 2473 1 5 . 1 1 68 68 ILE C C 68 173.519 173.519 173.977 -0.458 19783 2474 1 5 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.389 1.887 19783 2475 1 5 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.043 2.084 19783 2476 1 5 . 1 1 68 68 ILE H H 68 9.529 9.529 9.067 0.462 19783 2477 1 5 . 1 1 69 69 VAL N N 69 125.903 125.903 128.239 -2.336 19783 2478 1 5 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.522 0.335 19783 2479 1 5 . 1 1 69 69 VAL C C 69 174.917 174.917 174.677 0.240 19783 2480 1 5 . 1 1 69 69 VAL CA C 69 61.241 61.241 61.779 -0.538 19783 2481 1 5 . 1 1 69 69 VAL CB C 69 34.136 34.136 33.246 0.890 19783 2482 1 5 . 1 1 69 69 VAL H H 69 7.253 7.253 8.663 -1.410 19783 2483 1 5 . 1 1 70 70 SER N N 70 121.681 121.681 123.523 -1.842 19783 2484 1 5 . 1 1 70 70 SER HA H 70 5.397 5.397 5.600 -0.203 19783 2485 1 5 . 1 1 70 70 SER C C 70 173.047 173.047 173.578 -0.531 19783 2486 1 5 . 1 1 70 70 SER CA C 70 56.407 56.407 56.665 -0.258 19783 2487 1 5 . 1 1 70 70 SER CB C 70 64.832 64.832 65.070 -0.239 19783 2488 1 5 . 1 1 70 70 SER H H 70 9.302 9.302 9.370 -0.068 19783 2489 1 5 . 1 1 71 71 LYS N N 71 127.421 127.421 127.475 -0.054 19783 2490 1 5 . 1 1 71 71 LYS HA H 71 5.360 5.360 5.044 0.316 19783 2491 1 5 . 1 1 71 71 LYS C C 71 173.603 173.603 174.547 -0.944 19783 2492 1 5 . 1 1 71 71 LYS CA C 71 54.771 54.771 54.759 0.012 19783 2493 1 5 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.848 0.260 19783 2494 1 5 . 1 1 71 71 LYS H H 71 9.029 9.029 9.177 -0.148 19783 2495 1 5 . 1 1 72 72 LEU N N 72 124.252 124.252 122.361 1.891 19783 2496 1 5 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.462 -0.180 19783 2497 1 5 . 1 1 72 72 LEU C C 72 174.075 174.075 174.536 -0.461 19783 2498 1 5 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.593 0.407 19783 2499 1 5 . 1 1 72 72 LEU CB C 72 41.516 41.516 43.774 -2.258 19783 2500 1 5 . 1 1 72 72 LEU H H 72 8.407 8.407 8.758 -0.351 19783 2501 1 5 . 1 1 73 73 LYS N N 73 128.141 128.141 127.725 0.416 19783 2502 1 5 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.241 0.537 19783 2503 1 5 . 1 1 73 73 LYS C C 73 176.331 176.331 174.384 1.947 19783 2504 1 5 . 1 1 73 73 LYS CA C 73 55.250 55.250 56.333 -1.083 19783 2505 1 5 . 1 1 73 73 LYS CB C 73 33.333 33.333 32.788 0.545 19783 2506 1 5 . 1 1 73 73 LYS H H 73 8.090 8.090 8.710 -0.620 19783 2507 1 5 . 1 1 74 74 VAL N N 74 121.453 121.453 123.833 -2.380 19783 2508 1 5 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.314 0.318 19783 2509 1 5 . 1 1 74 74 VAL C C 74 175.590 175.590 174.476 1.114 19783 2510 1 5 . 1 1 74 74 VAL CA C 74 58.455 58.455 59.932 -1.477 19783 2511 1 5 . 1 1 74 74 VAL CB C 74 35.744 35.744 35.408 0.336 19783 2512 1 5 . 1 1 74 74 VAL H H 74 8.730 8.730 8.160 0.570 19783 2513 1 5 . 1 1 75 75 MET N N 75 119.151 119.151 123.663 -4.512 19783 2514 1 5 . 1 1 75 75 MET HA H 75 4.560 4.560 4.597 -0.037 19783 2515 1 5 . 1 1 75 75 MET CA C 75 55.753 55.753 55.178 0.575 19783 2516 1 5 . 1 1 75 75 MET CB C 75 32.563 32.563 32.908 -0.345 19783 2517 1 5 . 1 1 75 75 MET H H 75 8.724 8.724 8.586 0.138 19783 2518 1 5 . 1 1 76 76 ALA N N 76 127.351 127.351 128.649 -1.298 19783 2519 1 5 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.033 -0.291 19783 2520 1 5 . 1 1 76 76 ALA C C 76 178.487 178.487 179.733 -1.246 19783 2521 1 5 . 1 1 76 76 ALA CA C 76 55.953 55.953 55.996 -0.043 19783 2522 1 5 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.202 -0.208 19783 2523 1 5 . 1 1 76 76 ALA H H 76 8.460 8.460 8.912 -0.452 19783 2524 1 5 . 1 1 77 77 SER N N 77 110.202 110.202 112.930 -2.728 19783 2525 1 5 . 1 1 77 77 SER HA H 77 4.149 4.149 4.255 -0.106 19783 2526 1 5 . 1 1 77 77 SER C C 77 176.550 176.550 176.710 -0.160 19783 2527 1 5 . 1 1 77 77 SER CA C 77 60.894 60.894 61.244 -0.350 19783 2528 1 5 . 1 1 77 77 SER CB C 77 61.996 61.996 62.850 -0.854 19783 2529 1 5 . 1 1 77 77 SER H H 77 8.460 8.460 8.432 0.028 19783 2530 1 5 . 1 1 78 78 GLU N N 78 124.828 124.828 122.702 2.126 19783 2531 1 5 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.171 -0.021 19783 2532 1 5 . 1 1 78 78 GLU C C 78 179.599 179.599 178.200 1.399 19783 2533 1 5 . 1 1 78 78 GLU CA C 78 59.118 59.118 59.228 -0.110 19783 2534 1 5 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.457 1.915 19783 2535 1 5 . 1 1 78 78 GLU H H 78 7.336 7.336 7.749 -0.413 19783 2536 1 5 . 1 1 79 79 TRP N N 79 123.252 123.252 120.779 2.473 19783 2537 1 5 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.429 0.205 19783 2538 1 5 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.720 1.074 19783 2539 1 5 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.759 -0.291 19783 2540 1 5 . 1 1 79 79 TRP H H 79 7.469 7.469 8.324 -0.855 19783 2541 1 5 . 1 1 80 80 ASP N N 80 116.114 116.114 119.278 -3.164 19783 2542 1 5 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.281 0.012 19783 2543 1 5 . 1 1 80 80 ASP C C 80 177.174 177.174 177.877 -0.703 19783 2544 1 5 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.336 0.271 19783 2545 1 5 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.631 0.703 19783 2546 1 5 . 1 1 80 80 ASP H H 80 8.816 8.816 8.450 0.366 19783 2547 1 5 . 1 1 81 81 SER N N 81 112.692 112.692 114.271 -1.579 19783 2548 1 5 . 1 1 81 81 SER HA H 81 4.338 4.338 4.382 -0.044 19783 2549 1 5 . 1 1 81 81 SER C C 81 175.203 175.203 175.160 0.043 19783 2550 1 5 . 1 1 81 81 SER CA C 81 59.645 59.645 58.310 1.335 19783 2551 1 5 . 1 1 81 81 SER CB C 81 64.055 64.055 63.559 0.496 19783 2552 1 5 . 1 1 81 81 SER H H 81 7.393 7.393 7.478 -0.085 19783 2553 1 5 . 1 1 82 82 GLY N N 82 108.811 108.811 110.046 -1.235 19783 2554 1 5 . 1 1 82 82 GLY C C 82 173.687 173.687 174.508 -0.821 19783 2555 1 5 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.043 1.177 19783 2556 1 5 . 1 1 82 82 GLY H H 82 7.587 7.587 7.647 -0.060 19783 2557 1 5 . 1 1 83 83 THR N N 83 116.253 116.253 115.982 0.271 19783 2558 1 5 . 1 1 83 83 THR HA H 83 3.668 3.668 4.153 -0.485 19783 2559 1 5 . 1 1 83 83 THR C C 83 170.908 170.908 174.866 -3.958 19783 2560 1 5 . 1 1 83 83 THR CA C 83 63.674 63.674 63.914 -0.240 19783 2561 1 5 . 1 1 83 83 THR CB C 83 70.037 70.037 70.106 -0.069 19783 2562 1 5 . 1 1 83 83 THR H H 83 6.788 6.788 7.374 -0.586 19783 2563 1 5 . 1 1 84 84 GLU N N 84 124.967 124.967 126.712 -1.745 19783 2564 1 5 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.575 0.102 19783 2565 1 5 . 1 1 84 84 GLU C C 84 174.462 174.462 175.621 -1.159 19783 2566 1 5 . 1 1 84 84 GLU CA C 84 55.508 55.508 56.411 -0.903 19783 2567 1 5 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.741 1.303 19783 2568 1 5 . 1 1 84 84 GLU H H 84 8.006 8.006 8.252 -0.246 19783 2569 1 5 . 1 1 85 85 TYR N N 85 127.327 127.327 124.196 3.131 19783 2570 1 5 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.335 -0.386 19783 2571 1 5 . 1 1 85 85 TYR C C 85 174.563 174.563 174.177 0.386 19783 2572 1 5 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.348 1.101 19783 2573 1 5 . 1 1 85 85 TYR CB C 85 41.291 41.291 42.367 -1.076 19783 2574 1 5 . 1 1 85 85 TYR H H 85 8.993 8.993 8.304 0.689 19783 2575 1 5 . 1 1 86 86 VAL N N 86 121.985 121.985 123.531 -1.546 19783 2576 1 5 . 1 1 86 86 VAL HA H 86 4.884 4.884 5.104 -0.220 19783 2577 1 5 . 1 1 86 86 VAL C C 86 173.822 173.822 172.972 0.850 19783 2578 1 5 . 1 1 86 86 VAL CA C 86 60.701 60.701 59.273 1.428 19783 2579 1 5 . 1 1 86 86 VAL CB C 86 35.536 35.536 35.620 -0.084 19783 2580 1 5 . 1 1 86 86 VAL H H 86 8.873 8.873 8.428 0.445 19783 2581 1 5 . 1 1 87 87 CYS N N 87 127.376 127.376 126.629 0.747 19783 2582 1 5 . 1 1 87 87 CYS HA H 87 3.909 3.909 4.903 -0.994 19783 2583 1 5 . 1 1 87 87 CYS C C 87 171.211 171.211 173.107 -1.896 19783 2584 1 5 . 1 1 87 87 CYS CA C 87 52.879 52.879 55.486 -2.607 19783 2585 1 5 . 1 1 87 87 CYS CB C 87 44.008 44.008 27.491 16.517 19783 2586 1 5 . 1 1 87 87 CYS H H 87 8.312 8.312 8.816 -0.504 19783 2587 1 5 . 1 1 88 88 LEU N N 88 127.118 127.118 129.547 -2.429 19783 2588 1 5 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.616 -0.670 19783 2589 1 5 . 1 1 88 88 LEU C C 88 173.957 173.957 175.631 -1.674 19783 2590 1 5 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.462 1.042 19783 2591 1 5 . 1 1 88 88 LEU CB C 88 45.537 45.537 45.980 -0.443 19783 2592 1 5 . 1 1 88 88 LEU H H 88 8.837 8.837 9.050 -0.213 19783 2593 1 5 . 1 1 89 89 VAL N N 89 120.421 120.421 121.425 -1.004 19783 2594 1 5 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.892 -0.028 19783 2595 1 5 . 1 1 89 89 VAL C C 89 174.580 174.580 174.303 0.277 19783 2596 1 5 . 1 1 89 89 VAL CA C 89 60.421 60.421 60.934 -0.513 19783 2597 1 5 . 1 1 89 89 VAL CB C 89 34.505 34.505 34.882 -0.377 19783 2598 1 5 . 1 1 89 89 VAL H H 89 8.687 8.687 9.165 -0.478 19783 2599 1 5 . 1 1 90 90 GLU N N 90 122.482 122.482 124.761 -2.279 19783 2600 1 5 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.774 0.049 19783 2601 1 5 . 1 1 90 90 GLU C C 90 174.664 174.664 173.838 0.826 19783 2602 1 5 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.446 -0.244 19783 2603 1 5 . 1 1 90 90 GLU CB C 90 34.685 34.685 33.369 1.316 19783 2604 1 5 . 1 1 90 90 GLU H H 90 8.551 8.551 8.687 -0.136 19783 2605 1 5 . 1 1 91 91 ASP N N 91 119.348 119.348 122.379 -3.031 19783 2606 1 5 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.915 -0.171 19783 2607 1 5 . 1 1 91 91 ASP C C 91 176.921 176.921 176.596 0.325 19783 2608 1 5 . 1 1 91 91 ASP CA C 91 54.603 54.603 53.113 1.490 19783 2609 1 5 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.779 3.779 19783 2610 1 5 . 1 1 91 91 ASP H H 91 7.980 7.980 8.446 -0.466 19783 2611 1 5 . 1 1 92 92 SER N N 92 121.504 121.504 117.816 3.688 19783 2612 1 5 . 1 1 92 92 SER HA H 92 4.158 4.158 4.347 -0.189 19783 2613 1 5 . 1 1 92 92 SER C C 92 175.574 175.574 175.045 0.529 19783 2614 1 5 . 1 1 92 92 SER CA C 92 61.803 61.803 60.406 1.397 19783 2615 1 5 . 1 1 92 92 SER CB C 92 62.911 62.911 63.253 -0.342 19783 2616 1 5 . 1 1 92 92 SER H H 92 7.973 7.973 8.915 -0.942 19783 2617 1 5 . 1 1 93 93 GLU N N 93 121.008 121.008 118.891 2.117 19783 2618 1 5 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.419 -0.130 19783 2619 1 5 . 1 1 93 93 GLU C C 93 176.517 176.517 175.930 0.587 19783 2620 1 5 . 1 1 93 93 GLU CA C 93 56.610 56.610 56.210 0.400 19783 2621 1 5 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.428 -0.453 19783 2622 1 5 . 1 1 93 93 GLU H H 93 9.782 9.782 8.308 1.474 19783 2623 1 5 . 1 1 94 94 LEU N N 94 121.375 121.375 118.815 2.560 19783 2624 1 5 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.856 -0.071 19783 2625 1 5 . 1 1 94 94 LEU CA C 94 51.759 51.759 51.606 0.153 19783 2626 1 5 . 1 1 94 94 LEU CB C 94 42.854 42.854 41.509 1.345 19783 2627 1 5 . 1 1 94 94 LEU H H 94 7.802 7.802 7.502 0.300 19783 2628 1 5 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.635 -0.351 19783 2629 1 5 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.660 1.147 19783 2630 1 5 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.099 0.201 19783 2631 1 5 . 1 1 96 96 THR N N 96 109.657 109.657 112.141 -2.484 19783 2632 1 5 . 1 1 96 96 THR HA H 96 4.499 4.499 4.579 -0.080 19783 2633 1 5 . 1 1 96 96 THR CA C 96 58.673 58.673 59.116 -0.443 19783 2634 1 5 . 1 1 96 96 THR CB C 96 70.994 70.994 70.192 0.802 19783 2635 1 5 . 1 1 96 96 THR H H 96 7.094 7.094 7.575 -0.481 19783 2636 1 5 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.779 -0.033 19783 2637 1 5 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.324 0.970 19783 2638 1 5 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.350 0.619 19783 2639 1 5 . 1 1 98 98 VAL N N 98 122.997 122.997 122.723 0.274 19783 2640 1 5 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.384 -0.176 19783 2641 1 5 . 1 1 98 98 VAL C C 98 173.923 173.923 174.622 -0.699 19783 2642 1 5 . 1 1 98 98 VAL CA C 98 61.972 61.972 61.188 0.784 19783 2643 1 5 . 1 1 98 98 VAL CB C 98 33.468 33.468 33.965 -0.497 19783 2644 1 5 . 1 1 98 98 VAL H H 98 8.358 8.358 8.892 -0.534 19783 2645 1 5 . 1 1 99 99 LYS N N 99 122.194 122.194 123.471 -1.277 19783 2646 1 5 . 1 1 99 99 LYS HA H 99 5.482 5.482 5.632 -0.150 19783 2647 1 5 . 1 1 99 99 LYS C C 99 174.984 174.984 174.781 0.203 19783 2648 1 5 . 1 1 99 99 LYS CA C 99 54.322 54.322 53.864 0.458 19783 2649 1 5 . 1 1 99 99 LYS CB C 99 37.320 37.320 36.502 0.819 19783 2650 1 5 . 1 1 99 99 LYS H H 99 8.340 8.340 8.272 0.068 19783 2651 1 5 . 1 1 100 100 ALA N N 100 123.875 123.875 122.394 1.481 19783 2652 1 5 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.624 0.014 19783 2653 1 5 . 1 1 100 100 ALA C C 100 174.243 174.243 174.828 -0.585 19783 2654 1 5 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.618 -0.226 19783 2655 1 5 . 1 1 100 100 ALA CB C 100 23.012 23.012 21.232 1.780 19783 2656 1 5 . 1 1 100 100 ALA H H 100 8.600 8.600 8.445 0.155 19783 2657 1 5 . 1 1 101 101 SER N N 101 114.189 114.189 117.106 -2.917 19783 2658 1 5 . 1 1 101 101 SER HA H 101 5.761 5.761 5.643 0.118 19783 2659 1 5 . 1 1 101 101 SER C C 101 173.519 173.519 173.620 -0.101 19783 2660 1 5 . 1 1 101 101 SER CA C 101 56.346 56.346 56.837 -0.491 19783 2661 1 5 . 1 1 101 101 SER CB C 101 67.504 67.504 65.833 1.671 19783 2662 1 5 . 1 1 101 101 SER H H 101 8.367 8.367 8.375 -0.008 19783 2663 1 5 . 1 1 102 102 ILE N N 102 121.742 121.742 122.479 -0.737 19783 2664 1 5 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.565 0.213 19783 2665 1 5 . 1 1 102 102 ILE C C 102 170.824 170.824 174.441 -3.617 19783 2666 1 5 . 1 1 102 102 ILE CA C 102 61.198 61.198 59.647 1.551 19783 2667 1 5 . 1 1 102 102 ILE CB C 102 41.820 41.820 42.348 -0.528 19783 2668 1 5 . 1 1 102 102 ILE H H 102 9.317 9.317 9.156 0.161 19783 2669 1 5 . 1 1 103 103 ARG N N 103 120.111 120.111 124.557 -4.446 19783 2670 1 5 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.690 -0.109 19783 2671 1 5 . 1 1 103 103 ARG C C 103 174.411 174.411 174.636 -0.225 19783 2672 1 5 . 1 1 103 103 ARG CA C 103 54.474 54.474 53.873 0.601 19783 2673 1 5 . 1 1 103 103 ARG CB C 103 34.589 34.589 32.441 2.148 19783 2674 1 5 . 1 1 103 103 ARG H H 103 7.525 7.525 8.326 -0.801 19783 2675 1 5 . 1 1 104 104 LYS N N 104 126.177 126.177 121.766 4.411 19783 2676 1 5 . 1 1 104 104 LYS HA H 104 3.614 3.614 3.599 0.015 19783 2677 1 5 . 1 1 104 104 LYS C C 104 175.287 175.287 174.961 0.326 19783 2678 1 5 . 1 1 104 104 LYS CA C 104 58.288 58.288 55.794 2.494 19783 2679 1 5 . 1 1 104 104 LYS CB C 104 32.169 32.169 30.898 1.271 19783 2680 1 5 . 1 1 104 104 LYS H H 104 9.077 9.077 8.260 0.817 19783 2681 1 6 . 1 1 2 2 GLY CA C 2 43.533 43.533 45.262 -1.729 19783 2682 1 6 . 1 1 3 3 ARG HA H 3 4.368 4.368 4.512 -0.144 19783 2683 1 6 . 1 1 3 3 ARG CA C 3 56.394 56.394 54.638 1.756 19783 2684 1 6 . 1 1 3 3 ARG CB C 3 31.358 31.358 31.428 -0.070 19783 2685 1 6 . 1 1 4 4 GLN N N 4 122.771 122.771 119.043 3.728 19783 2686 1 6 . 1 1 4 4 GLN HA H 4 4.393 4.393 3.992 0.401 19783 2687 1 6 . 1 1 4 4 GLN C C 4 175.843 175.843 174.937 0.906 19783 2688 1 6 . 1 1 4 4 GLN CA C 4 56.155 56.155 58.161 -2.006 19783 2689 1 6 . 1 1 4 4 GLN CB C 4 29.413 29.413 27.722 1.691 19783 2690 1 6 . 1 1 4 4 GLN H H 4 8.899 8.899 8.777 0.122 19783 2691 1 6 . 1 1 5 5 THR N N 5 115.866 115.866 118.645 -2.779 19783 2692 1 6 . 1 1 5 5 THR HA H 5 4.276 4.276 4.576 -0.300 19783 2693 1 6 . 1 1 5 5 THR C C 5 173.957 173.957 172.879 1.078 19783 2694 1 6 . 1 1 5 5 THR CA C 5 62.295 62.295 61.784 0.511 19783 2695 1 6 . 1 1 5 5 THR CB C 5 69.957 69.957 69.441 0.516 19783 2696 1 6 . 1 1 5 5 THR H H 5 8.063 8.063 7.980 0.083 19783 2697 1 6 . 1 1 6 6 ASP N N 6 124.653 124.653 128.052 -3.399 19783 2698 1 6 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.952 -0.202 19783 2699 1 6 . 1 1 6 6 ASP C C 6 174.159 174.159 173.777 0.382 19783 2700 1 6 . 1 1 6 6 ASP CA C 6 54.022 54.022 53.532 0.490 19783 2701 1 6 . 1 1 6 6 ASP CB C 6 41.741 41.741 43.165 -1.424 19783 2702 1 6 . 1 1 6 6 ASP H H 6 8.499 8.499 8.338 0.161 19783 2703 1 6 . 1 1 7 7 ILE N N 7 119.741 119.741 125.854 -6.113 19783 2704 1 6 . 1 1 7 7 ILE HA H 7 4.992 4.992 5.202 -0.210 19783 2705 1 6 . 1 1 7 7 ILE C C 7 173.334 173.334 173.834 -0.500 19783 2706 1 6 . 1 1 7 7 ILE CA C 7 60.213 60.213 60.031 0.182 19783 2707 1 6 . 1 1 7 7 ILE CB C 7 40.206 40.206 41.494 -1.288 19783 2708 1 6 . 1 1 7 7 ILE H H 7 7.799 7.799 8.369 -0.570 19783 2709 1 6 . 1 1 8 8 SER N N 8 121.920 121.920 124.320 -2.400 19783 2710 1 6 . 1 1 8 8 SER HA H 8 4.694 4.694 4.822 -0.128 19783 2711 1 6 . 1 1 8 8 SER C C 8 172.508 172.508 173.019 -0.511 19783 2712 1 6 . 1 1 8 8 SER CA C 8 56.801 56.801 56.623 0.178 19783 2713 1 6 . 1 1 8 8 SER CB C 8 65.356 65.356 64.306 1.050 19783 2714 1 6 . 1 1 8 8 SER H H 8 8.850 8.850 9.199 -0.349 19783 2715 1 6 . 1 1 9 9 VAL N N 9 125.845 125.845 128.587 -2.742 19783 2716 1 6 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.975 -0.366 19783 2717 1 6 . 1 1 9 9 VAL C C 9 174.647 174.647 175.303 -0.656 19783 2718 1 6 . 1 1 9 9 VAL CA C 9 61.730 61.730 61.294 0.437 19783 2719 1 6 . 1 1 9 9 VAL CB C 9 34.372 34.372 33.947 0.425 19783 2720 1 6 . 1 1 9 9 VAL H H 9 8.452 8.452 8.601 -0.149 19783 2721 1 6 . 1 1 10 10 SER N N 10 121.312 121.312 123.033 -1.721 19783 2722 1 6 . 1 1 10 10 SER HA H 10 4.725 4.725 4.741 -0.016 19783 2723 1 6 . 1 1 10 10 SER C C 10 171.784 171.784 172.381 -0.597 19783 2724 1 6 . 1 1 10 10 SER CA C 10 57.060 57.060 56.435 0.625 19783 2725 1 6 . 1 1 10 10 SER CB C 10 65.764 65.764 64.917 0.847 19783 2726 1 6 . 1 1 10 10 SER H H 10 8.624 8.624 8.894 -0.270 19783 2727 1 6 . 1 1 11 11 LEU N N 11 124.101 124.101 124.822 -0.721 19783 2728 1 6 . 1 1 11 11 LEU HA H 11 5.475 5.475 5.449 0.026 19783 2729 1 6 . 1 1 11 11 LEU C C 11 175.894 175.894 176.856 -0.962 19783 2730 1 6 . 1 1 11 11 LEU CA C 11 53.556 53.556 53.664 -0.109 19783 2731 1 6 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.172 3.233 19783 2732 1 6 . 1 1 11 11 LEU H H 11 8.443 8.443 8.618 -0.175 19783 2733 1 6 . 1 1 12 12 LEU N N 12 124.363 124.363 125.491 -1.128 19783 2734 1 6 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.722 -0.143 19783 2735 1 6 . 1 1 12 12 LEU C C 12 175.708 175.708 174.964 0.744 19783 2736 1 6 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.394 0.271 19783 2737 1 6 . 1 1 12 12 LEU CB C 12 43.727 43.727 44.422 -0.695 19783 2738 1 6 . 1 1 12 12 LEU H H 12 8.977 8.977 9.323 -0.346 19783 2739 1 6 . 1 1 13 13 LYS N N 13 121.228 121.228 126.471 -5.243 19783 2740 1 6 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.497 -0.481 19783 2741 1 6 . 1 1 13 13 LYS CA C 13 54.332 54.332 53.175 1.157 19783 2742 1 6 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.989 -0.202 19783 2743 1 6 . 1 1 13 13 LYS H H 13 8.151 8.151 8.491 -0.340 19783 2744 1 6 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.434 -0.011 19783 2745 1 6 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.544 -0.140 19783 2746 1 6 . 1 1 15 15 PRO CB C 15 31.948 31.948 32.592 -0.644 19783 2747 1 6 . 1 1 16 16 PHE N N 16 123.773 123.773 113.021 10.752 19783 2748 1 6 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.384 -0.317 19783 2749 1 6 . 1 1 16 16 PHE CA C 16 60.874 60.874 58.673 2.200 19783 2750 1 6 . 1 1 16 16 PHE CB C 16 39.063 39.063 37.208 1.855 19783 2751 1 6 . 1 1 16 16 PHE H H 16 8.348 8.348 8.633 -0.285 19783 2752 1 6 . 1 1 19 19 ILE HA H 19 3.764 3.764 3.894 -0.130 19783 2753 1 6 . 1 1 19 19 ILE CA C 19 64.709 64.709 61.749 2.960 19783 2754 1 6 . 1 1 19 19 ILE CB C 19 38.630 38.630 38.241 0.389 19783 2755 1 6 . 1 1 19 19 ILE H H 19 8.268 8.268 7.943 0.325 19783 2756 1 6 . 1 1 20 20 TRP N N 20 119.035 119.035 121.328 -2.293 19783 2757 1 6 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.933 0.009 19783 2758 1 6 . 1 1 20 20 TRP C C 20 173.974 173.974 175.408 -1.434 19783 2759 1 6 . 1 1 20 20 TRP CA C 20 55.508 55.508 55.426 0.082 19783 2760 1 6 . 1 1 20 20 TRP CB C 20 29.892 29.892 30.897 -1.005 19783 2761 1 6 . 1 1 20 20 TRP H H 20 8.275 8.275 7.360 0.915 19783 2762 1 6 . 1 1 21 21 THR N N 21 122.056 122.056 111.881 10.175 19783 2763 1 6 . 1 1 21 21 THR HA H 21 4.585 4.585 5.316 -0.731 19783 2764 1 6 . 1 1 21 21 THR CB C 21 70.303 70.303 70.995 -0.692 19783 2765 1 6 . 1 1 21 21 THR H H 21 8.470 8.470 8.626 -0.156 19783 2766 1 6 . 1 1 23 23 GLN N N 23 123.024 123.024 117.810 5.214 19783 2767 1 6 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.034 0.115 19783 2768 1 6 . 1 1 23 23 GLN CA C 23 58.179 58.179 57.287 0.892 19783 2769 1 6 . 1 1 23 23 GLN CB C 23 26.860 26.860 27.702 -0.842 19783 2770 1 6 . 1 1 23 23 GLN H H 23 8.638 8.638 8.314 0.324 19783 2771 1 6 . 1 1 24 24 THR N N 24 110.779 110.779 113.549 -2.770 19783 2772 1 6 . 1 1 24 24 THR HA H 24 4.785 4.785 4.545 0.240 19783 2773 1 6 . 1 1 24 24 THR CA C 24 60.278 60.278 60.296 -0.018 19783 2774 1 6 . 1 1 24 24 THR CB C 24 72.143 72.143 69.210 2.933 19783 2775 1 6 . 1 1 24 24 THR H H 24 7.402 7.402 8.263 -0.861 19783 2776 1 6 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.552 -0.459 19783 2777 1 6 . 1 1 25 25 ALA CA C 25 53.882 53.882 52.753 1.129 19783 2778 1 6 . 1 1 25 25 ALA CB C 25 19.459 19.459 20.063 -0.604 19783 2779 1 6 . 1 1 26 26 THR N N 26 116.103 116.103 111.202 4.901 19783 2780 1 6 . 1 1 26 26 THR CB C 26 69.894 69.894 70.741 -0.847 19783 2781 1 6 . 1 1 26 26 THR H H 26 7.874 7.874 7.409 0.465 19783 2782 1 6 . 1 1 27 27 ILE HA H 27 3.717 3.717 4.093 -0.376 19783 2783 1 6 . 1 1 27 27 ILE CA C 27 60.996 60.996 58.788 2.208 19783 2784 1 6 . 1 1 27 27 ILE CB C 27 39.127 39.127 38.811 0.316 19783 2785 1 6 . 1 1 27 27 ILE H H 27 8.853 8.853 8.437 0.416 19783 2786 1 6 . 1 1 28 28 VAL N N 28 125.545 125.545 127.674 -2.129 19783 2787 1 6 . 1 1 28 28 VAL HA H 28 4.651 4.651 4.695 -0.044 19783 2788 1 6 . 1 1 28 28 VAL C C 28 173.536 173.536 174.251 -0.715 19783 2789 1 6 . 1 1 28 28 VAL CA C 28 62.257 62.257 60.739 1.518 19783 2790 1 6 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.079 -0.893 19783 2791 1 6 . 1 1 28 28 VAL H H 28 7.502 7.502 8.806 -1.304 19783 2792 1 6 . 1 1 29 29 CYS N N 29 128.977 128.977 128.815 0.162 19783 2793 1 6 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.278 -0.096 19783 2794 1 6 . 1 1 29 29 CYS C C 29 172.070 172.070 173.682 -1.612 19783 2795 1 6 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.129 -2.748 19783 2796 1 6 . 1 1 29 29 CYS CB C 29 43.709 43.709 28.168 15.541 19783 2797 1 6 . 1 1 29 29 CYS H H 29 9.907 9.907 9.680 0.227 19783 2798 1 6 . 1 1 30 30 GLU N N 30 126.688 126.688 129.755 -3.067 19783 2799 1 6 . 1 1 30 30 GLU HA H 30 4.852 4.852 4.867 -0.015 19783 2800 1 6 . 1 1 30 30 GLU CA C 30 55.742 55.742 55.087 0.655 19783 2801 1 6 . 1 1 30 30 GLU CB C 30 32.387 32.387 31.246 1.141 19783 2802 1 6 . 1 1 30 30 GLU H H 30 9.217 9.217 9.356 -0.139 19783 2803 1 6 . 1 1 31 31 ILE N N 31 130.021 130.021 121.465 8.556 19783 2804 1 6 . 1 1 31 31 ILE HA H 31 4.944 4.944 5.595 -0.651 19783 2805 1 6 . 1 1 31 31 ILE C C 31 174.580 174.580 174.268 0.312 19783 2806 1 6 . 1 1 31 31 ILE CA C 31 60.795 60.795 58.371 2.424 19783 2807 1 6 . 1 1 31 31 ILE CB C 31 40.658 40.658 39.676 0.982 19783 2808 1 6 . 1 1 31 31 ILE H H 31 9.119 9.119 8.931 0.188 19783 2809 1 6 . 1 1 32 32 VAL N N 32 127.671 127.671 127.597 0.074 19783 2810 1 6 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.927 0.297 19783 2811 1 6 . 1 1 32 32 VAL C C 32 176.331 176.331 174.981 1.350 19783 2812 1 6 . 1 1 32 32 VAL CA C 32 61.204 61.204 60.841 0.363 19783 2813 1 6 . 1 1 32 32 VAL CB C 32 34.236 34.236 33.482 0.754 19783 2814 1 6 . 1 1 32 32 VAL H H 32 8.723 8.723 8.626 0.097 19783 2815 1 6 . 1 1 33 33 TYR N N 33 125.563 125.563 124.174 1.389 19783 2816 1 6 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.832 -0.447 19783 2817 1 6 . 1 1 33 33 TYR C C 33 172.424 172.424 173.317 -0.893 19783 2818 1 6 . 1 1 33 33 TYR CA C 33 56.468 56.468 54.997 1.471 19783 2819 1 6 . 1 1 33 33 TYR CB C 33 41.612 41.612 42.088 -0.476 19783 2820 1 6 . 1 1 33 33 TYR H H 33 9.114 9.114 8.906 0.208 19783 2821 1 6 . 1 1 34 34 SER N N 34 111.556 111.556 114.831 -3.275 19783 2822 1 6 . 1 1 34 34 SER HA H 34 4.749 4.749 4.933 -0.184 19783 2823 1 6 . 1 1 34 34 SER C C 34 174.108 174.108 173.695 0.413 19783 2824 1 6 . 1 1 34 34 SER CA C 34 57.900 57.900 57.093 0.807 19783 2825 1 6 . 1 1 34 34 SER CB C 34 65.956 65.956 65.643 0.313 19783 2826 1 6 . 1 1 34 34 SER H H 34 8.342 8.342 8.283 0.059 19783 2827 1 6 . 1 1 35 35 ASP N N 35 118.304 118.304 123.892 -5.588 19783 2828 1 6 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.449 -0.084 19783 2829 1 6 . 1 1 35 35 ASP C C 35 175.018 175.018 174.562 0.456 19783 2830 1 6 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.561 1.240 19783 2831 1 6 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.680 -0.323 19783 2832 1 6 . 1 1 35 35 ASP H H 35 8.672 8.672 8.992 -0.320 19783 2833 1 6 . 1 1 36 36 LEU N N 36 117.764 117.764 118.849 -1.085 19783 2834 1 6 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.434 0.090 19783 2835 1 6 . 1 1 36 36 LEU C C 36 177.157 177.157 176.656 0.501 19783 2836 1 6 . 1 1 36 36 LEU CA C 36 55.171 55.171 53.916 1.255 19783 2837 1 6 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.412 -0.129 19783 2838 1 6 . 1 1 36 36 LEU H H 36 7.357 7.357 7.809 -0.452 19783 2839 1 6 . 1 1 37 37 GLU N N 37 120.855 120.855 120.786 0.069 19783 2840 1 6 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.426 0.036 19783 2841 1 6 . 1 1 37 37 GLU C C 37 176.584 176.584 175.423 1.161 19783 2842 1 6 . 1 1 37 37 GLU CA C 37 57.020 57.020 54.539 2.481 19783 2843 1 6 . 1 1 37 37 GLU CB C 37 32.512 32.512 32.003 0.509 19783 2844 1 6 . 1 1 37 37 GLU H H 37 9.557 9.557 8.767 0.790 19783 2845 1 6 . 1 1 38 38 ASN N N 38 122.459 122.459 118.585 3.874 19783 2846 1 6 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.516 0.418 19783 2847 1 6 . 1 1 38 38 ASN C C 38 174.192 174.192 175.180 -0.988 19783 2848 1 6 . 1 1 38 38 ASN CA C 38 52.794 52.794 54.018 -1.224 19783 2849 1 6 . 1 1 38 38 ASN CB C 38 40.087 40.087 37.949 2.138 19783 2850 1 6 . 1 1 38 38 ASN H H 38 9.124 9.124 8.475 0.649 19783 2851 1 6 . 1 1 39 39 ILE N N 39 119.708 119.708 122.656 -2.948 19783 2852 1 6 . 1 1 39 39 ILE HA H 39 4.160 4.160 4.081 0.079 19783 2853 1 6 . 1 1 39 39 ILE C C 39 176.416 176.416 176.275 0.141 19783 2854 1 6 . 1 1 39 39 ILE CA C 39 62.166 62.166 61.735 0.431 19783 2855 1 6 . 1 1 39 39 ILE CB C 39 38.218 38.218 38.775 -0.557 19783 2856 1 6 . 1 1 39 39 ILE H H 39 7.252 7.252 7.843 -0.591 19783 2857 1 6 . 1 1 40 40 LYS N N 40 128.321 128.321 128.139 0.182 19783 2858 1 6 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.676 -0.273 19783 2859 1 6 . 1 1 40 40 LYS C C 40 173.755 173.755 174.716 -0.961 19783 2860 1 6 . 1 1 40 40 LYS CA C 40 55.056 55.056 54.854 0.202 19783 2861 1 6 . 1 1 40 40 LYS CB C 40 36.010 36.010 33.528 2.482 19783 2862 1 6 . 1 1 40 40 LYS H H 40 8.760 8.760 8.679 0.081 19783 2863 1 6 . 1 1 41 41 VAL N N 41 121.679 121.679 126.661 -4.982 19783 2864 1 6 . 1 1 41 41 VAL HA H 41 4.760 4.760 4.671 0.089 19783 2865 1 6 . 1 1 41 41 VAL C C 41 175.405 175.405 175.439 -0.034 19783 2866 1 6 . 1 1 41 41 VAL CA C 41 60.873 60.873 61.399 -0.526 19783 2867 1 6 . 1 1 41 41 VAL CB C 41 33.886 33.886 32.572 1.314 19783 2868 1 6 . 1 1 41 41 VAL H H 41 7.902 7.902 8.532 -0.630 19783 2869 1 6 . 1 1 42 42 PHE N N 42 126.800 126.800 126.852 -0.052 19783 2870 1 6 . 1 1 42 42 PHE HA H 42 4.869 4.869 4.953 -0.084 19783 2871 1 6 . 1 1 42 42 PHE C C 42 172.340 172.340 173.476 -1.136 19783 2872 1 6 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.683 -0.593 19783 2873 1 6 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.437 -1.447 19783 2874 1 6 . 1 1 42 42 PHE H H 42 9.352 9.352 9.122 0.230 19783 2875 1 6 . 1 1 43 43 TRP N N 43 119.314 119.314 125.637 -6.323 19783 2876 1 6 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.325 0.410 19783 2877 1 6 . 1 1 43 43 TRP C C 43 177.393 177.393 174.087 3.306 19783 2878 1 6 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.458 0.438 19783 2879 1 6 . 1 1 43 43 TRP CB C 43 32.055 32.055 32.874 -0.819 19783 2880 1 6 . 1 1 43 43 TRP H H 43 8.847 8.847 8.143 0.704 19783 2881 1 6 . 1 1 44 44 GLN N N 44 118.782 118.782 121.440 -2.658 19783 2882 1 6 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.622 0.382 19783 2883 1 6 . 1 1 44 44 GLN C C 44 175.035 175.035 173.986 1.049 19783 2884 1 6 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.687 -0.524 19783 2885 1 6 . 1 1 44 44 GLN CB C 44 33.065 33.065 33.033 0.032 19783 2886 1 6 . 1 1 44 44 GLN H H 44 9.376 9.376 8.675 0.701 19783 2887 1 6 . 1 1 45 45 VAL N N 45 121.659 121.659 126.820 -5.161 19783 2888 1 6 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.908 -0.502 19783 2889 1 6 . 1 1 45 45 VAL C C 45 176.921 176.921 175.834 1.087 19783 2890 1 6 . 1 1 45 45 VAL CA C 45 61.827 61.827 59.305 2.522 19783 2891 1 6 . 1 1 45 45 VAL CB C 45 34.260 34.260 32.369 1.891 19783 2892 1 6 . 1 1 45 45 VAL H H 45 8.796 8.796 8.999 -0.203 19783 2893 1 6 . 1 1 46 46 ASN N N 46 128.796 128.796 126.750 2.046 19783 2894 1 6 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.611 -0.228 19783 2895 1 6 . 1 1 46 46 ASN C C 46 175.523 175.523 175.593 -0.070 19783 2896 1 6 . 1 1 46 46 ASN CA C 46 54.279 54.279 53.880 0.399 19783 2897 1 6 . 1 1 46 46 ASN CB C 46 37.485 37.485 37.649 -0.164 19783 2898 1 6 . 1 1 46 46 ASN H H 46 9.628 9.628 8.857 0.771 19783 2899 1 6 . 1 1 47 47 GLY N N 47 102.032 102.032 103.599 -1.567 19783 2900 1 6 . 1 1 47 47 GLY C C 47 173.519 173.519 174.110 -0.591 19783 2901 1 6 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.176 0.297 19783 2902 1 6 . 1 1 47 47 GLY H H 47 8.820 8.820 8.385 0.435 19783 2903 1 6 . 1 1 48 48 VAL N N 48 120.265 120.265 122.736 -2.471 19783 2904 1 6 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.413 -0.158 19783 2905 1 6 . 1 1 48 48 VAL C C 48 175.691 175.691 174.670 1.021 19783 2906 1 6 . 1 1 48 48 VAL CA C 48 61.080 61.080 59.842 1.238 19783 2907 1 6 . 1 1 48 48 VAL CB C 48 34.420 34.420 33.785 0.634 19783 2908 1 6 . 1 1 48 48 VAL H H 48 7.529 7.529 7.653 -0.124 19783 2909 1 6 . 1 1 49 49 GLU N N 49 128.059 128.059 126.437 1.622 19783 2910 1 6 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.227 0.510 19783 2911 1 6 . 1 1 49 49 GLU C C 49 175.927 175.927 176.264 -0.337 19783 2912 1 6 . 1 1 49 49 GLU CA C 49 57.835 57.835 57.962 -0.127 19783 2913 1 6 . 1 1 49 49 GLU CB C 49 29.551 29.551 30.412 -0.861 19783 2914 1 6 . 1 1 49 49 GLU H H 49 8.851 8.851 8.801 0.050 19783 2915 1 6 . 1 1 50 50 ARG N N 50 128.391 128.391 126.006 2.385 19783 2916 1 6 . 1 1 50 50 ARG CA C 50 54.280 54.280 55.492 -1.212 19783 2917 1 6 . 1 1 50 50 ARG CB C 50 32.304 32.304 30.464 1.840 19783 2918 1 6 . 1 1 50 50 ARG H H 50 8.704 8.704 8.083 0.621 19783 2919 1 6 . 1 1 51 51 LYS N N 51 124.441 124.441 126.580 -2.139 19783 2920 1 6 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.181 0.348 19783 2921 1 6 . 1 1 51 51 LYS CA C 51 56.868 56.868 56.298 0.570 19783 2922 1 6 . 1 1 51 51 LYS CB C 51 34.604 34.604 33.669 0.935 19783 2923 1 6 . 1 1 51 51 LYS H H 51 8.772 8.772 8.488 0.284 19783 2924 1 6 . 1 1 52 52 LYS N N 52 122.374 122.374 120.880 1.494 19783 2925 1 6 . 1 1 52 52 LYS HA H 52 4.197 4.197 4.008 0.189 19783 2926 1 6 . 1 1 52 52 LYS C C 52 176.921 176.921 176.814 0.107 19783 2927 1 6 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.706 -0.227 19783 2928 1 6 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.456 0.586 19783 2929 1 6 . 1 1 52 52 LYS H H 52 7.752 7.752 8.255 -0.503 19783 2930 1 6 . 1 1 53 53 GLY N N 53 112.970 112.970 106.029 6.941 19783 2931 1 6 . 1 1 53 53 GLY C C 53 173.872 173.872 172.927 0.945 19783 2932 1 6 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.599 1.057 19783 2933 1 6 . 1 1 53 53 GLY H H 53 8.832 8.832 8.469 0.363 19783 2934 1 6 . 1 1 54 54 VAL N N 54 120.474 120.474 121.827 -1.353 19783 2935 1 6 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.492 -0.009 19783 2936 1 6 . 1 1 54 54 VAL C C 54 176.870 176.870 174.782 2.088 19783 2937 1 6 . 1 1 54 54 VAL CA C 54 62.101 62.101 61.720 0.381 19783 2938 1 6 . 1 1 54 54 VAL CB C 54 33.587 33.587 32.747 0.840 19783 2939 1 6 . 1 1 54 54 VAL H H 54 7.004 7.004 7.591 -0.587 19783 2940 1 6 . 1 1 55 55 GLU N N 55 129.276 129.276 129.291 -0.015 19783 2941 1 6 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.723 -0.006 19783 2942 1 6 . 1 1 55 55 GLU C C 55 175.068 175.068 174.774 0.294 19783 2943 1 6 . 1 1 55 55 GLU CA C 55 55.831 55.831 55.177 0.654 19783 2944 1 6 . 1 1 55 55 GLU CB C 55 32.917 32.917 32.552 0.365 19783 2945 1 6 . 1 1 55 55 GLU H H 55 9.091 9.091 8.797 0.294 19783 2946 1 6 . 1 1 56 56 THR N N 56 126.675 126.675 118.189 8.486 19783 2947 1 6 . 1 1 56 56 THR HA H 56 4.881 4.881 4.980 -0.099 19783 2948 1 6 . 1 1 56 56 THR CA C 56 62.268 62.268 60.846 1.422 19783 2949 1 6 . 1 1 56 56 THR CB C 56 69.679 69.679 69.947 -0.268 19783 2950 1 6 . 1 1 56 56 THR H H 56 9.162 9.162 8.549 0.613 19783 2951 1 6 . 1 1 57 57 GLN N N 57 127.368 127.368 124.184 3.184 19783 2952 1 6 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.473 -0.084 19783 2953 1 6 . 1 1 57 57 GLN C C 57 175.254 175.254 176.340 -1.086 19783 2954 1 6 . 1 1 57 57 GLN CA C 57 55.285 55.285 55.147 0.138 19783 2955 1 6 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.311 0.195 19783 2956 1 6 . 1 1 57 57 GLN H H 57 8.638 8.638 8.902 -0.264 19783 2957 1 6 . 1 1 58 58 ASN N N 58 118.031 118.031 120.817 -2.786 19783 2958 1 6 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.733 0.107 19783 2959 1 6 . 1 1 58 58 ASN CA C 58 52.081 52.081 51.939 0.142 19783 2960 1 6 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.127 -0.834 19783 2961 1 6 . 1 1 58 58 ASN H H 58 8.398 8.398 8.598 -0.200 19783 2962 1 6 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.336 0.279 19783 2963 1 6 . 1 1 59 59 PRO CA C 59 63.453 63.453 63.084 0.368 19783 2964 1 6 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.037 0.225 19783 2965 1 6 . 1 1 60 60 GLU N N 60 122.445 122.445 122.927 -0.482 19783 2966 1 6 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.642 -0.004 19783 2967 1 6 . 1 1 60 60 GLU C C 60 175.574 175.574 175.329 0.245 19783 2968 1 6 . 1 1 60 60 GLU CA C 60 54.797 54.797 54.976 -0.179 19783 2969 1 6 . 1 1 60 60 GLU CB C 60 32.614 32.614 32.226 0.388 19783 2970 1 6 . 1 1 60 60 GLU H H 60 8.704 8.704 8.432 0.272 19783 2971 1 6 . 1 1 61 61 TRP N N 61 125.833 125.833 125.854 -0.021 19783 2972 1 6 . 1 1 61 61 TRP HA H 61 5.060 5.060 5.091 -0.031 19783 2973 1 6 . 1 1 61 61 TRP C C 61 176.651 176.651 176.326 0.325 19783 2974 1 6 . 1 1 61 61 TRP CA C 61 57.163 57.163 56.260 0.903 19783 2975 1 6 . 1 1 61 61 TRP CB C 61 30.886 30.886 30.866 0.020 19783 2976 1 6 . 1 1 61 61 TRP H H 61 8.817 8.817 8.669 0.148 19783 2977 1 6 . 1 1 62 62 SER N N 62 120.682 120.682 120.850 -0.168 19783 2978 1 6 . 1 1 62 62 SER HA H 62 4.424 4.424 4.820 -0.396 19783 2979 1 6 . 1 1 62 62 SER C C 62 174.614 174.614 175.118 -0.504 19783 2980 1 6 . 1 1 62 62 SER CA C 62 57.422 57.422 56.790 0.632 19783 2981 1 6 . 1 1 62 62 SER CB C 62 64.113 64.113 63.192 0.921 19783 2982 1 6 . 1 1 62 62 SER H H 62 8.551 8.551 8.768 -0.217 19783 2983 1 6 . 1 1 63 63 GLY N N 63 112.655 112.655 117.325 -4.670 19783 2984 1 6 . 1 1 63 63 GLY CA C 63 46.488 46.488 46.793 -0.305 19783 2985 1 6 . 1 1 63 63 GLY H H 63 6.895 6.895 8.907 -2.012 19783 2986 1 6 . 1 1 64 64 SER HA H 64 4.347 4.347 4.595 -0.248 19783 2987 1 6 . 1 1 64 64 SER CA C 64 59.027 59.027 58.202 0.825 19783 2988 1 6 . 1 1 64 64 SER CB C 64 63.975 63.975 63.949 0.026 19783 2989 1 6 . 1 1 65 65 LYS N N 65 120.463 120.463 123.519 -3.056 19783 2990 1 6 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.612 -0.129 19783 2991 1 6 . 1 1 65 65 LYS C C 65 174.816 174.816 175.393 -0.577 19783 2992 1 6 . 1 1 65 65 LYS CA C 65 54.862 54.862 54.696 0.166 19783 2993 1 6 . 1 1 65 65 LYS CB C 65 35.788 35.788 33.532 2.256 19783 2994 1 6 . 1 1 65 65 LYS H H 65 7.441 7.441 7.849 -0.408 19783 2995 1 6 . 1 1 66 66 SER N N 66 117.984 117.984 119.671 -1.687 19783 2996 1 6 . 1 1 66 66 SER HA H 66 4.999 4.999 4.630 0.369 19783 2997 1 6 . 1 1 66 66 SER C C 66 172.205 172.205 173.468 -1.263 19783 2998 1 6 . 1 1 66 66 SER CA C 66 57.739 57.739 56.594 1.145 19783 2999 1 6 . 1 1 66 66 SER CB C 66 64.876 64.876 64.338 0.538 19783 3000 1 6 . 1 1 66 66 SER H H 66 8.522 8.522 8.800 -0.278 19783 3001 1 6 . 1 1 67 67 THR N N 67 115.663 115.663 119.952 -4.289 19783 3002 1 6 . 1 1 67 67 THR HA H 67 5.608 5.608 4.705 0.903 19783 3003 1 6 . 1 1 67 67 THR C C 67 175.102 175.102 172.897 2.205 19783 3004 1 6 . 1 1 67 67 THR CA C 67 60.739 60.739 61.865 -1.126 19783 3005 1 6 . 1 1 67 67 THR CB C 67 72.013 72.013 70.630 1.383 19783 3006 1 6 . 1 1 67 67 THR H H 67 8.354 8.354 8.307 0.047 19783 3007 1 6 . 1 1 68 68 ILE N N 68 127.394 127.394 129.449 -2.055 19783 3008 1 6 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.415 -0.112 19783 3009 1 6 . 1 1 68 68 ILE C C 68 173.519 173.519 174.119 -0.600 19783 3010 1 6 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.351 1.925 19783 3011 1 6 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.632 1.495 19783 3012 1 6 . 1 1 68 68 ILE H H 68 9.529 9.529 9.102 0.427 19783 3013 1 6 . 1 1 69 69 VAL N N 69 125.903 125.903 128.164 -2.261 19783 3014 1 6 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.284 0.573 19783 3015 1 6 . 1 1 69 69 VAL C C 69 174.917 174.917 175.168 -0.251 19783 3016 1 6 . 1 1 69 69 VAL CA C 69 61.241 61.241 62.012 -0.771 19783 3017 1 6 . 1 1 69 69 VAL CB C 69 34.136 34.136 32.899 1.237 19783 3018 1 6 . 1 1 69 69 VAL H H 69 7.253 7.253 8.788 -1.535 19783 3019 1 6 . 1 1 70 70 SER N N 70 121.681 121.681 124.769 -3.088 19783 3020 1 6 . 1 1 70 70 SER HA H 70 5.397 5.397 5.247 0.150 19783 3021 1 6 . 1 1 70 70 SER C C 70 173.047 173.047 173.276 -0.229 19783 3022 1 6 . 1 1 70 70 SER CA C 70 56.407 56.407 57.891 -1.484 19783 3023 1 6 . 1 1 70 70 SER CB C 70 64.832 64.832 64.341 0.491 19783 3024 1 6 . 1 1 70 70 SER H H 70 9.302 9.302 9.316 -0.014 19783 3025 1 6 . 1 1 71 71 LYS N N 71 127.421 127.421 125.867 1.554 19783 3026 1 6 . 1 1 71 71 LYS HA H 71 5.360 5.360 4.959 0.401 19783 3027 1 6 . 1 1 71 71 LYS C C 71 173.603 173.603 174.473 -0.870 19783 3028 1 6 . 1 1 71 71 LYS CA C 71 54.771 54.771 54.556 0.215 19783 3029 1 6 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.191 0.917 19783 3030 1 6 . 1 1 71 71 LYS H H 71 9.029 9.029 9.256 -0.227 19783 3031 1 6 . 1 1 72 72 LEU N N 72 124.252 124.252 124.639 -0.387 19783 3032 1 6 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.664 -0.382 19783 3033 1 6 . 1 1 72 72 LEU C C 72 174.075 174.075 175.134 -1.059 19783 3034 1 6 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.347 0.653 19783 3035 1 6 . 1 1 72 72 LEU CB C 72 41.516 41.516 44.475 -2.959 19783 3036 1 6 . 1 1 72 72 LEU H H 72 8.407 8.407 8.834 -0.427 19783 3037 1 6 . 1 1 73 73 LYS N N 73 128.141 128.141 127.362 0.779 19783 3038 1 6 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.266 0.511 19783 3039 1 6 . 1 1 73 73 LYS C C 73 176.331 176.331 175.439 0.892 19783 3040 1 6 . 1 1 73 73 LYS CA C 73 55.250 55.250 55.965 -0.715 19783 3041 1 6 . 1 1 73 73 LYS CB C 73 33.333 33.333 32.484 0.849 19783 3042 1 6 . 1 1 73 73 LYS H H 73 8.090 8.090 8.572 -0.482 19783 3043 1 6 . 1 1 74 74 VAL N N 74 121.453 121.453 118.806 2.647 19783 3044 1 6 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.499 0.133 19783 3045 1 6 . 1 1 74 74 VAL C C 74 175.590 175.590 174.997 0.593 19783 3046 1 6 . 1 1 74 74 VAL CA C 74 58.455 58.455 60.046 -1.591 19783 3047 1 6 . 1 1 74 74 VAL CB C 74 35.744 35.744 35.176 0.568 19783 3048 1 6 . 1 1 74 74 VAL H H 74 8.730 8.730 8.045 0.685 19783 3049 1 6 . 1 1 75 75 MET N N 75 119.151 119.151 122.360 -3.209 19783 3050 1 6 . 1 1 75 75 MET HA H 75 4.560 4.560 4.723 -0.163 19783 3051 1 6 . 1 1 75 75 MET CA C 75 55.753 55.753 55.288 0.465 19783 3052 1 6 . 1 1 75 75 MET CB C 75 32.563 32.563 33.114 -0.551 19783 3053 1 6 . 1 1 75 75 MET H H 75 8.724 8.724 8.882 -0.158 19783 3054 1 6 . 1 1 76 76 ALA N N 76 127.351 127.351 129.683 -2.332 19783 3055 1 6 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.056 -0.314 19783 3056 1 6 . 1 1 76 76 ALA C C 76 178.487 178.487 179.383 -0.896 19783 3057 1 6 . 1 1 76 76 ALA CA C 76 55.953 55.953 55.974 -0.021 19783 3058 1 6 . 1 1 76 76 ALA CB C 76 17.994 17.994 17.879 0.115 19783 3059 1 6 . 1 1 76 76 ALA H H 76 8.460 8.460 9.024 -0.564 19783 3060 1 6 . 1 1 77 77 SER N N 77 110.202 110.202 113.666 -3.464 19783 3061 1 6 . 1 1 77 77 SER HA H 77 4.149 4.149 4.175 -0.026 19783 3062 1 6 . 1 1 77 77 SER C C 77 176.550 176.550 177.047 -0.497 19783 3063 1 6 . 1 1 77 77 SER CA C 77 60.894 60.894 61.982 -1.088 19783 3064 1 6 . 1 1 77 77 SER CB C 77 61.996 61.996 62.634 -0.638 19783 3065 1 6 . 1 1 77 77 SER H H 77 8.460 8.460 8.628 -0.168 19783 3066 1 6 . 1 1 78 78 GLU N N 78 124.828 124.828 122.962 1.866 19783 3067 1 6 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.109 0.041 19783 3068 1 6 . 1 1 78 78 GLU C C 78 179.599 179.599 178.016 1.583 19783 3069 1 6 . 1 1 78 78 GLU CA C 78 59.118 59.118 59.644 -0.526 19783 3070 1 6 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.598 1.774 19783 3071 1 6 . 1 1 78 78 GLU H H 78 7.336 7.336 7.747 -0.411 19783 3072 1 6 . 1 1 79 79 TRP N N 79 123.252 123.252 121.810 1.442 19783 3073 1 6 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.508 0.126 19783 3074 1 6 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.520 1.274 19783 3075 1 6 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.745 -0.277 19783 3076 1 6 . 1 1 79 79 TRP H H 79 7.469 7.469 8.481 -1.012 19783 3077 1 6 . 1 1 80 80 ASP N N 80 116.114 116.114 118.290 -2.176 19783 3078 1 6 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.233 0.060 19783 3079 1 6 . 1 1 80 80 ASP C C 80 177.174 177.174 177.342 -0.168 19783 3080 1 6 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.267 0.340 19783 3081 1 6 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.540 0.794 19783 3082 1 6 . 1 1 80 80 ASP H H 80 8.816 8.816 8.759 0.057 19783 3083 1 6 . 1 1 81 81 SER N N 81 112.692 112.692 111.860 0.832 19783 3084 1 6 . 1 1 81 81 SER HA H 81 4.338 4.338 4.342 -0.004 19783 3085 1 6 . 1 1 81 81 SER C C 81 175.203 175.203 175.203 0.000 19783 3086 1 6 . 1 1 81 81 SER CA C 81 59.645 59.645 58.000 1.645 19783 3087 1 6 . 1 1 81 81 SER CB C 81 64.055 64.055 63.405 0.650 19783 3088 1 6 . 1 1 81 81 SER H H 81 7.393 7.393 7.505 -0.112 19783 3089 1 6 . 1 1 82 82 GLY N N 82 108.811 108.811 109.908 -1.097 19783 3090 1 6 . 1 1 82 82 GLY C C 82 173.687 173.687 174.992 -1.305 19783 3091 1 6 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.687 0.533 19783 3092 1 6 . 1 1 82 82 GLY H H 82 7.587 7.587 7.532 0.055 19783 3093 1 6 . 1 1 83 83 THR N N 83 116.253 116.253 116.055 0.198 19783 3094 1 6 . 1 1 83 83 THR HA H 83 3.668 3.668 4.154 -0.486 19783 3095 1 6 . 1 1 83 83 THR C C 83 170.908 170.908 174.474 -3.566 19783 3096 1 6 . 1 1 83 83 THR CA C 83 63.674 63.674 63.115 0.559 19783 3097 1 6 . 1 1 83 83 THR CB C 83 70.037 70.037 70.133 -0.096 19783 3098 1 6 . 1 1 83 83 THR H H 83 6.788 6.788 7.488 -0.700 19783 3099 1 6 . 1 1 84 84 GLU N N 84 124.967 124.967 125.861 -0.894 19783 3100 1 6 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.350 0.327 19783 3101 1 6 . 1 1 84 84 GLU C C 84 174.462 174.462 175.772 -1.310 19783 3102 1 6 . 1 1 84 84 GLU CA C 84 55.508 55.508 56.776 -1.268 19783 3103 1 6 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.015 2.029 19783 3104 1 6 . 1 1 84 84 GLU H H 84 8.006 8.006 8.367 -0.361 19783 3105 1 6 . 1 1 85 85 TYR N N 85 127.327 127.327 123.612 3.715 19783 3106 1 6 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.272 -0.323 19783 3107 1 6 . 1 1 85 85 TYR C C 85 174.563 174.563 174.662 -0.099 19783 3108 1 6 . 1 1 85 85 TYR CA C 85 58.449 58.449 56.989 1.460 19783 3109 1 6 . 1 1 85 85 TYR CB C 85 41.291 41.291 40.832 0.459 19783 3110 1 6 . 1 1 85 85 TYR H H 85 8.993 8.993 8.462 0.531 19783 3111 1 6 . 1 1 86 86 VAL N N 86 121.985 121.985 122.421 -0.436 19783 3112 1 6 . 1 1 86 86 VAL HA H 86 4.884 4.884 4.835 0.049 19783 3113 1 6 . 1 1 86 86 VAL C C 86 173.822 173.822 174.115 -0.293 19783 3114 1 6 . 1 1 86 86 VAL CA C 86 60.701 60.701 60.268 0.433 19783 3115 1 6 . 1 1 86 86 VAL CB C 86 35.536 35.536 34.437 1.099 19783 3116 1 6 . 1 1 86 86 VAL H H 86 8.873 8.873 8.654 0.219 19783 3117 1 6 . 1 1 87 87 CYS N N 87 127.376 127.376 127.656 -0.280 19783 3118 1 6 . 1 1 87 87 CYS HA H 87 3.909 3.909 4.645 -0.736 19783 3119 1 6 . 1 1 87 87 CYS C C 87 171.211 171.211 173.394 -2.183 19783 3120 1 6 . 1 1 87 87 CYS CA C 87 52.879 52.879 56.123 -3.244 19783 3121 1 6 . 1 1 87 87 CYS CB C 87 44.008 44.008 27.001 17.007 19783 3122 1 6 . 1 1 87 87 CYS H H 87 8.312 8.312 8.939 -0.627 19783 3123 1 6 . 1 1 88 88 LEU N N 88 127.118 127.118 130.295 -3.177 19783 3124 1 6 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.552 -0.606 19783 3125 1 6 . 1 1 88 88 LEU C C 88 173.957 173.957 175.491 -1.534 19783 3126 1 6 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.495 1.009 19783 3127 1 6 . 1 1 88 88 LEU CB C 88 45.537 45.537 45.600 -0.063 19783 3128 1 6 . 1 1 88 88 LEU H H 88 8.837 8.837 9.008 -0.171 19783 3129 1 6 . 1 1 89 89 VAL N N 89 120.421 120.421 121.307 -0.886 19783 3130 1 6 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.763 0.101 19783 3131 1 6 . 1 1 89 89 VAL C C 89 174.580 174.580 174.337 0.243 19783 3132 1 6 . 1 1 89 89 VAL CA C 89 60.421 60.421 60.860 -0.439 19783 3133 1 6 . 1 1 89 89 VAL CB C 89 34.505 34.505 34.566 -0.061 19783 3134 1 6 . 1 1 89 89 VAL H H 89 8.687 8.687 9.129 -0.442 19783 3135 1 6 . 1 1 90 90 GLU N N 90 122.482 122.482 124.787 -2.305 19783 3136 1 6 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.752 0.071 19783 3137 1 6 . 1 1 90 90 GLU C C 90 174.664 174.664 173.951 0.713 19783 3138 1 6 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.358 -0.156 19783 3139 1 6 . 1 1 90 90 GLU CB C 90 34.685 34.685 33.272 1.413 19783 3140 1 6 . 1 1 90 90 GLU H H 90 8.551 8.551 8.633 -0.082 19783 3141 1 6 . 1 1 91 91 ASP N N 91 119.348 119.348 121.410 -2.062 19783 3142 1 6 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.904 -0.160 19783 3143 1 6 . 1 1 91 91 ASP C C 91 176.921 176.921 176.508 0.413 19783 3144 1 6 . 1 1 91 91 ASP CA C 91 54.603 54.603 52.790 1.813 19783 3145 1 6 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.884 3.674 19783 3146 1 6 . 1 1 91 91 ASP H H 91 7.980 7.980 8.488 -0.508 19783 3147 1 6 . 1 1 92 92 SER N N 92 121.504 121.504 117.228 4.276 19783 3148 1 6 . 1 1 92 92 SER HA H 92 4.158 4.158 4.331 -0.173 19783 3149 1 6 . 1 1 92 92 SER C C 92 175.574 175.574 174.695 0.879 19783 3150 1 6 . 1 1 92 92 SER CA C 92 61.803 61.803 60.337 1.466 19783 3151 1 6 . 1 1 92 92 SER CB C 92 62.911 62.911 63.237 -0.326 19783 3152 1 6 . 1 1 92 92 SER H H 92 7.973 7.973 8.812 -0.839 19783 3153 1 6 . 1 1 93 93 GLU N N 93 121.008 121.008 118.166 2.842 19783 3154 1 6 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.458 -0.170 19783 3155 1 6 . 1 1 93 93 GLU C C 93 176.517 176.517 176.035 0.482 19783 3156 1 6 . 1 1 93 93 GLU CA C 93 56.610 56.610 56.134 0.476 19783 3157 1 6 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.149 -0.174 19783 3158 1 6 . 1 1 93 93 GLU H H 93 9.782 9.782 8.250 1.532 19783 3159 1 6 . 1 1 94 94 LEU N N 94 121.375 121.375 119.393 1.982 19783 3160 1 6 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.862 -0.077 19783 3161 1 6 . 1 1 94 94 LEU CA C 94 51.759 51.759 51.539 0.220 19783 3162 1 6 . 1 1 94 94 LEU CB C 94 42.854 42.854 41.390 1.464 19783 3163 1 6 . 1 1 94 94 LEU H H 94 7.802 7.802 7.478 0.324 19783 3164 1 6 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.516 -0.232 19783 3165 1 6 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.801 1.006 19783 3166 1 6 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.159 0.141 19783 3167 1 6 . 1 1 96 96 THR N N 96 109.657 109.657 111.504 -1.847 19783 3168 1 6 . 1 1 96 96 THR HA H 96 4.499 4.499 4.592 -0.093 19783 3169 1 6 . 1 1 96 96 THR CA C 96 58.673 58.673 58.653 0.020 19783 3170 1 6 . 1 1 96 96 THR CB C 96 70.994 70.994 69.690 1.304 19783 3171 1 6 . 1 1 96 96 THR H H 96 7.094 7.094 7.534 -0.440 19783 3172 1 6 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.600 0.146 19783 3173 1 6 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.432 0.862 19783 3174 1 6 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.297 0.672 19783 3175 1 6 . 1 1 98 98 VAL N N 98 122.997 122.997 123.481 -0.484 19783 3176 1 6 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.302 -0.094 19783 3177 1 6 . 1 1 98 98 VAL C C 98 173.923 173.923 174.877 -0.954 19783 3178 1 6 . 1 1 98 98 VAL CA C 98 61.972 61.972 61.846 0.126 19783 3179 1 6 . 1 1 98 98 VAL CB C 98 33.468 33.468 32.315 1.153 19783 3180 1 6 . 1 1 98 98 VAL H H 98 8.358 8.358 8.667 -0.309 19783 3181 1 6 . 1 1 99 99 LYS N N 99 122.194 122.194 126.302 -4.108 19783 3182 1 6 . 1 1 99 99 LYS HA H 99 5.482 5.482 5.571 -0.089 19783 3183 1 6 . 1 1 99 99 LYS C C 99 174.984 174.984 174.843 0.141 19783 3184 1 6 . 1 1 99 99 LYS CA C 99 54.322 54.322 53.678 0.644 19783 3185 1 6 . 1 1 99 99 LYS CB C 99 37.320 37.320 36.797 0.523 19783 3186 1 6 . 1 1 99 99 LYS H H 99 8.340 8.340 8.317 0.023 19783 3187 1 6 . 1 1 100 100 ALA N N 100 123.875 123.875 122.779 1.096 19783 3188 1 6 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.610 0.028 19783 3189 1 6 . 1 1 100 100 ALA C C 100 174.243 174.243 174.915 -0.672 19783 3190 1 6 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.830 -0.438 19783 3191 1 6 . 1 1 100 100 ALA CB C 100 23.012 23.012 21.833 1.179 19783 3192 1 6 . 1 1 100 100 ALA H H 100 8.600 8.600 8.579 0.021 19783 3193 1 6 . 1 1 101 101 SER N N 101 114.189 114.189 116.747 -2.558 19783 3194 1 6 . 1 1 101 101 SER HA H 101 5.761 5.761 5.711 0.050 19783 3195 1 6 . 1 1 101 101 SER C C 101 173.519 173.519 173.881 -0.362 19783 3196 1 6 . 1 1 101 101 SER CA C 101 56.346 56.346 56.260 0.086 19783 3197 1 6 . 1 1 101 101 SER CB C 101 67.504 67.504 65.454 2.050 19783 3198 1 6 . 1 1 101 101 SER H H 101 8.367 8.367 8.391 -0.024 19783 3199 1 6 . 1 1 102 102 ILE N N 102 121.742 121.742 124.416 -2.674 19783 3200 1 6 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.595 0.183 19783 3201 1 6 . 1 1 102 102 ILE C C 102 170.824 170.824 173.991 -3.167 19783 3202 1 6 . 1 1 102 102 ILE CA C 102 61.198 61.198 59.660 1.538 19783 3203 1 6 . 1 1 102 102 ILE CB C 102 41.820 41.820 42.040 -0.220 19783 3204 1 6 . 1 1 102 102 ILE H H 102 9.317 9.317 9.216 0.101 19783 3205 1 6 . 1 1 103 103 ARG N N 103 120.111 120.111 126.158 -6.047 19783 3206 1 6 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.787 -0.206 19783 3207 1 6 . 1 1 103 103 ARG C C 103 174.411 174.411 174.685 -0.274 19783 3208 1 6 . 1 1 103 103 ARG CA C 103 54.474 54.474 54.000 0.474 19783 3209 1 6 . 1 1 103 103 ARG CB C 103 34.589 34.589 32.846 1.743 19783 3210 1 6 . 1 1 103 103 ARG H H 103 7.525 7.525 8.352 -0.827 19783 3211 1 6 . 1 1 104 104 LYS N N 104 126.177 126.177 123.104 3.073 19783 3212 1 6 . 1 1 104 104 LYS HA H 104 3.614 3.614 3.713 -0.099 19783 3213 1 6 . 1 1 104 104 LYS C C 104 175.287 175.287 174.829 0.458 19783 3214 1 6 . 1 1 104 104 LYS CA C 104 58.288 58.288 56.859 1.429 19783 3215 1 6 . 1 1 104 104 LYS CB C 104 32.169 32.169 30.602 1.567 19783 3216 1 6 . 1 1 104 104 LYS H H 104 9.077 9.077 8.222 0.855 19783 3217 1 7 . 1 1 2 2 GLY CA C 2 43.533 43.533 44.843 -1.310 19783 3218 1 7 . 1 1 3 3 ARG HA H 3 4.368 4.368 4.321 0.047 19783 3219 1 7 . 1 1 3 3 ARG CA C 3 56.394 56.394 56.136 0.258 19783 3220 1 7 . 1 1 3 3 ARG CB C 3 31.358 31.358 29.020 2.338 19783 3221 1 7 . 1 1 4 4 GLN N N 4 122.771 122.771 119.571 3.200 19783 3222 1 7 . 1 1 4 4 GLN HA H 4 4.393 4.393 4.352 0.041 19783 3223 1 7 . 1 1 4 4 GLN C C 4 175.843 175.843 176.781 -0.938 19783 3224 1 7 . 1 1 4 4 GLN CA C 4 56.155 56.155 56.412 -0.257 19783 3225 1 7 . 1 1 4 4 GLN CB C 4 29.413 29.413 29.700 -0.287 19783 3226 1 7 . 1 1 4 4 GLN H H 4 8.899 8.899 7.914 0.985 19783 3227 1 7 . 1 1 5 5 THR N N 5 115.866 115.866 118.248 -2.382 19783 3228 1 7 . 1 1 5 5 THR HA H 5 4.276 4.276 4.588 -0.312 19783 3229 1 7 . 1 1 5 5 THR C C 5 173.957 173.957 173.239 0.718 19783 3230 1 7 . 1 1 5 5 THR CA C 5 62.295 62.295 61.771 0.524 19783 3231 1 7 . 1 1 5 5 THR CB C 5 69.957 69.957 69.394 0.563 19783 3232 1 7 . 1 1 5 5 THR H H 5 8.063 8.063 8.065 -0.002 19783 3233 1 7 . 1 1 6 6 ASP N N 6 124.653 124.653 129.524 -4.871 19783 3234 1 7 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.828 -0.078 19783 3235 1 7 . 1 1 6 6 ASP C C 6 174.159 174.159 174.333 -0.174 19783 3236 1 7 . 1 1 6 6 ASP CA C 6 54.022 54.022 54.498 -0.476 19783 3237 1 7 . 1 1 6 6 ASP CB C 6 41.741 41.741 42.066 -0.325 19783 3238 1 7 . 1 1 6 6 ASP H H 6 8.499 8.499 8.612 -0.113 19783 3239 1 7 . 1 1 7 7 ILE N N 7 119.741 119.741 126.698 -6.957 19783 3240 1 7 . 1 1 7 7 ILE HA H 7 4.992 4.992 5.372 -0.380 19783 3241 1 7 . 1 1 7 7 ILE C C 7 173.334 173.334 174.589 -1.255 19783 3242 1 7 . 1 1 7 7 ILE CA C 7 60.213 60.213 59.738 0.475 19783 3243 1 7 . 1 1 7 7 ILE CB C 7 40.206 40.206 39.787 0.419 19783 3244 1 7 . 1 1 7 7 ILE H H 7 7.799 7.799 8.332 -0.533 19783 3245 1 7 . 1 1 8 8 SER N N 8 121.920 121.920 125.003 -3.083 19783 3246 1 7 . 1 1 8 8 SER HA H 8 4.694 4.694 4.819 -0.125 19783 3247 1 7 . 1 1 8 8 SER C C 8 172.508 172.508 172.180 0.328 19783 3248 1 7 . 1 1 8 8 SER CA C 8 56.801 56.801 57.023 -0.222 19783 3249 1 7 . 1 1 8 8 SER CB C 8 65.356 65.356 65.659 -0.303 19783 3250 1 7 . 1 1 8 8 SER H H 8 8.850 8.850 8.867 -0.017 19783 3251 1 7 . 1 1 9 9 VAL N N 9 125.845 125.845 126.371 -0.526 19783 3252 1 7 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.808 -0.199 19783 3253 1 7 . 1 1 9 9 VAL C C 9 174.647 174.647 174.697 -0.050 19783 3254 1 7 . 1 1 9 9 VAL CA C 9 61.730 61.730 59.948 1.782 19783 3255 1 7 . 1 1 9 9 VAL CB C 9 34.372 34.372 33.984 0.388 19783 3256 1 7 . 1 1 9 9 VAL H H 9 8.452 8.452 8.531 -0.079 19783 3257 1 7 . 1 1 10 10 SER N N 10 121.312 121.312 125.885 -4.573 19783 3258 1 7 . 1 1 10 10 SER HA H 10 4.725 4.725 4.793 -0.068 19783 3259 1 7 . 1 1 10 10 SER C C 10 171.784 171.784 173.028 -1.244 19783 3260 1 7 . 1 1 10 10 SER CA C 10 57.060 57.060 56.707 0.353 19783 3261 1 7 . 1 1 10 10 SER CB C 10 65.764 65.764 64.829 0.935 19783 3262 1 7 . 1 1 10 10 SER H H 10 8.624 8.624 9.177 -0.553 19783 3263 1 7 . 1 1 11 11 LEU N N 11 124.101 124.101 126.757 -2.656 19783 3264 1 7 . 1 1 11 11 LEU HA H 11 5.475 5.475 5.010 0.465 19783 3265 1 7 . 1 1 11 11 LEU C C 11 175.894 175.894 176.305 -0.411 19783 3266 1 7 . 1 1 11 11 LEU CA C 11 53.556 53.556 53.861 -0.305 19783 3267 1 7 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.328 3.077 19783 3268 1 7 . 1 1 11 11 LEU H H 11 8.443 8.443 8.813 -0.370 19783 3269 1 7 . 1 1 12 12 LEU N N 12 124.363 124.363 127.876 -3.513 19783 3270 1 7 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.720 -0.141 19783 3271 1 7 . 1 1 12 12 LEU C C 12 175.708 175.708 174.748 0.960 19783 3272 1 7 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.414 0.250 19783 3273 1 7 . 1 1 12 12 LEU CB C 12 43.727 43.727 44.026 -0.299 19783 3274 1 7 . 1 1 12 12 LEU H H 12 8.977 8.977 9.220 -0.243 19783 3275 1 7 . 1 1 13 13 LYS N N 13 121.228 121.228 126.470 -5.242 19783 3276 1 7 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.546 -0.530 19783 3277 1 7 . 1 1 13 13 LYS CA C 13 54.332 54.332 53.059 1.274 19783 3278 1 7 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.881 -0.094 19783 3279 1 7 . 1 1 13 13 LYS H H 13 8.151 8.151 8.436 -0.285 19783 3280 1 7 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.558 -0.135 19783 3281 1 7 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.279 0.126 19783 3282 1 7 . 1 1 15 15 PRO CB C 15 31.948 31.948 29.696 2.252 19783 3283 1 7 . 1 1 16 16 PHE N N 16 123.773 123.773 120.207 3.566 19783 3284 1 7 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.686 -0.619 19783 3285 1 7 . 1 1 16 16 PHE CA C 16 60.874 60.874 60.608 0.266 19783 3286 1 7 . 1 1 16 16 PHE CB C 16 39.063 39.063 40.887 -1.824 19783 3287 1 7 . 1 1 16 16 PHE H H 16 8.348 8.348 8.452 -0.104 19783 3288 1 7 . 1 1 19 19 ILE HA H 19 3.764 3.764 4.049 -0.285 19783 3289 1 7 . 1 1 19 19 ILE CA C 19 64.709 64.709 60.033 4.676 19783 3290 1 7 . 1 1 19 19 ILE CB C 19 38.630 38.630 39.250 -0.620 19783 3291 1 7 . 1 1 19 19 ILE H H 19 8.268 8.268 7.785 0.483 19783 3292 1 7 . 1 1 20 20 TRP N N 20 119.035 119.035 122.414 -3.379 19783 3293 1 7 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.704 0.238 19783 3294 1 7 . 1 1 20 20 TRP C C 20 173.974 173.974 175.074 -1.100 19783 3295 1 7 . 1 1 20 20 TRP CA C 20 55.508 55.508 56.128 -0.620 19783 3296 1 7 . 1 1 20 20 TRP CB C 20 29.892 29.892 29.459 0.433 19783 3297 1 7 . 1 1 20 20 TRP H H 20 8.275 8.275 7.665 0.610 19783 3298 1 7 . 1 1 21 21 THR N N 21 122.056 122.056 120.855 1.201 19783 3299 1 7 . 1 1 21 21 THR HA H 21 4.585 4.585 4.667 -0.082 19783 3300 1 7 . 1 1 21 21 THR CB C 21 70.303 70.303 69.968 0.335 19783 3301 1 7 . 1 1 21 21 THR H H 21 8.470 8.470 8.639 -0.169 19783 3302 1 7 . 1 1 23 23 GLN N N 23 123.024 123.024 120.286 2.738 19783 3303 1 7 . 1 1 23 23 GLN HA H 23 4.149 4.149 3.951 0.198 19783 3304 1 7 . 1 1 23 23 GLN CA C 23 58.179 58.179 58.163 0.016 19783 3305 1 7 . 1 1 23 23 GLN CB C 23 26.860 26.860 27.305 -0.445 19783 3306 1 7 . 1 1 23 23 GLN H H 23 8.638 8.638 8.859 -0.221 19783 3307 1 7 . 1 1 24 24 THR N N 24 110.779 110.779 109.059 1.720 19783 3308 1 7 . 1 1 24 24 THR HA H 24 4.785 4.785 4.666 0.119 19783 3309 1 7 . 1 1 24 24 THR CA C 24 60.278 60.278 60.649 -0.371 19783 3310 1 7 . 1 1 24 24 THR CB C 24 72.143 72.143 71.786 0.357 19783 3311 1 7 . 1 1 24 24 THR H H 24 7.402 7.402 7.810 -0.408 19783 3312 1 7 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.372 -0.279 19783 3313 1 7 . 1 1 25 25 ALA CA C 25 53.882 53.882 51.027 2.855 19783 3314 1 7 . 1 1 25 25 ALA CB C 25 19.459 19.459 18.522 0.937 19783 3315 1 7 . 1 1 26 26 THR N N 26 116.103 116.103 115.157 0.946 19783 3316 1 7 . 1 1 26 26 THR CB C 26 69.894 69.894 69.389 0.505 19783 3317 1 7 . 1 1 26 26 THR H H 26 7.874 7.874 7.334 0.540 19783 3318 1 7 . 1 1 27 27 ILE HA H 27 3.717 3.717 3.921 -0.204 19783 3319 1 7 . 1 1 27 27 ILE CA C 27 60.996 60.996 58.148 2.848 19783 3320 1 7 . 1 1 27 27 ILE CB C 27 39.127 39.127 38.401 0.726 19783 3321 1 7 . 1 1 27 27 ILE H H 27 8.853 8.853 8.276 0.577 19783 3322 1 7 . 1 1 28 28 VAL N N 28 125.545 125.545 124.878 0.667 19783 3323 1 7 . 1 1 28 28 VAL HA H 28 4.651 4.651 4.750 -0.099 19783 3324 1 7 . 1 1 28 28 VAL C C 28 173.536 173.536 174.074 -0.538 19783 3325 1 7 . 1 1 28 28 VAL CA C 28 62.257 62.257 61.233 1.024 19783 3326 1 7 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.147 -0.961 19783 3327 1 7 . 1 1 28 28 VAL H H 28 7.502 7.502 8.474 -0.972 19783 3328 1 7 . 1 1 29 29 CYS N N 29 128.977 128.977 129.083 -0.106 19783 3329 1 7 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.227 -0.045 19783 3330 1 7 . 1 1 29 29 CYS C C 29 172.070 172.070 173.405 -1.335 19783 3331 1 7 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.327 -2.946 19783 3332 1 7 . 1 1 29 29 CYS CB C 29 43.709 43.709 28.392 15.317 19783 3333 1 7 . 1 1 29 29 CYS H H 29 9.907 9.907 9.622 0.285 19783 3334 1 7 . 1 1 30 30 GLU N N 30 126.688 126.688 129.760 -3.072 19783 3335 1 7 . 1 1 30 30 GLU HA H 30 4.852 4.852 5.084 -0.232 19783 3336 1 7 . 1 1 30 30 GLU CA C 30 55.742 55.742 55.058 0.684 19783 3337 1 7 . 1 1 30 30 GLU CB C 30 32.387 32.387 31.566 0.821 19783 3338 1 7 . 1 1 30 30 GLU H H 30 9.217 9.217 9.220 -0.003 19783 3339 1 7 . 1 1 31 31 ILE N N 31 130.021 130.021 124.285 5.736 19783 3340 1 7 . 1 1 31 31 ILE HA H 31 4.944 4.944 4.884 0.060 19783 3341 1 7 . 1 1 31 31 ILE C C 31 174.580 174.580 174.192 0.388 19783 3342 1 7 . 1 1 31 31 ILE CA C 31 60.795 60.795 59.599 1.196 19783 3343 1 7 . 1 1 31 31 ILE CB C 31 40.658 40.658 39.903 0.756 19783 3344 1 7 . 1 1 31 31 ILE H H 31 9.119 9.119 8.961 0.158 19783 3345 1 7 . 1 1 32 32 VAL N N 32 127.671 127.671 126.239 1.432 19783 3346 1 7 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.753 0.471 19783 3347 1 7 . 1 1 32 32 VAL C C 32 176.331 176.331 174.802 1.529 19783 3348 1 7 . 1 1 32 32 VAL CA C 32 61.204 61.204 60.395 0.809 19783 3349 1 7 . 1 1 32 32 VAL CB C 32 34.236 34.236 33.033 1.203 19783 3350 1 7 . 1 1 32 32 VAL H H 32 8.723 8.723 8.750 -0.027 19783 3351 1 7 . 1 1 33 33 TYR N N 33 125.563 125.563 122.939 2.624 19783 3352 1 7 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.858 -0.473 19783 3353 1 7 . 1 1 33 33 TYR C C 33 172.424 172.424 174.102 -1.678 19783 3354 1 7 . 1 1 33 33 TYR CA C 33 56.468 56.468 55.298 1.170 19783 3355 1 7 . 1 1 33 33 TYR CB C 33 41.612 41.612 40.727 0.885 19783 3356 1 7 . 1 1 33 33 TYR H H 33 9.114 9.114 8.896 0.218 19783 3357 1 7 . 1 1 34 34 SER N N 34 111.556 111.556 115.366 -3.810 19783 3358 1 7 . 1 1 34 34 SER HA H 34 4.749 4.749 4.785 -0.036 19783 3359 1 7 . 1 1 34 34 SER C C 34 174.108 174.108 174.408 -0.300 19783 3360 1 7 . 1 1 34 34 SER CA C 34 57.900 57.900 57.446 0.454 19783 3361 1 7 . 1 1 34 34 SER CB C 34 65.956 65.956 64.606 1.350 19783 3362 1 7 . 1 1 34 34 SER H H 34 8.342 8.342 8.382 -0.040 19783 3363 1 7 . 1 1 35 35 ASP N N 35 118.304 118.304 120.267 -1.963 19783 3364 1 7 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.432 -0.067 19783 3365 1 7 . 1 1 35 35 ASP C C 35 175.018 175.018 174.721 0.297 19783 3366 1 7 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.706 1.095 19783 3367 1 7 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.639 -0.282 19783 3368 1 7 . 1 1 35 35 ASP H H 35 8.672 8.672 8.799 -0.127 19783 3369 1 7 . 1 1 36 36 LEU N N 36 117.764 117.764 118.942 -1.178 19783 3370 1 7 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.408 0.116 19783 3371 1 7 . 1 1 36 36 LEU C C 36 177.157 177.157 176.774 0.383 19783 3372 1 7 . 1 1 36 36 LEU CA C 36 55.171 55.171 54.031 1.140 19783 3373 1 7 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.095 0.188 19783 3374 1 7 . 1 1 36 36 LEU H H 36 7.357 7.357 7.750 -0.393 19783 3375 1 7 . 1 1 37 37 GLU N N 37 120.855 120.855 121.239 -0.384 19783 3376 1 7 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.413 0.049 19783 3377 1 7 . 1 1 37 37 GLU C C 37 176.584 176.584 175.532 1.052 19783 3378 1 7 . 1 1 37 37 GLU CA C 37 57.020 57.020 54.743 2.277 19783 3379 1 7 . 1 1 37 37 GLU CB C 37 32.512 32.512 31.168 1.344 19783 3380 1 7 . 1 1 37 37 GLU H H 37 9.557 9.557 8.485 1.072 19783 3381 1 7 . 1 1 38 38 ASN N N 38 122.459 122.459 118.727 3.732 19783 3382 1 7 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.482 0.452 19783 3383 1 7 . 1 1 38 38 ASN C C 38 174.192 174.192 175.301 -1.109 19783 3384 1 7 . 1 1 38 38 ASN CA C 38 52.794 52.794 53.775 -0.981 19783 3385 1 7 . 1 1 38 38 ASN CB C 38 40.087 40.087 38.205 1.882 19783 3386 1 7 . 1 1 38 38 ASN H H 38 9.124 9.124 8.410 0.714 19783 3387 1 7 . 1 1 39 39 ILE N N 39 119.708 119.708 124.456 -4.748 19783 3388 1 7 . 1 1 39 39 ILE HA H 39 4.160 4.160 4.237 -0.077 19783 3389 1 7 . 1 1 39 39 ILE C C 39 176.416 176.416 176.159 0.257 19783 3390 1 7 . 1 1 39 39 ILE CA C 39 62.166 62.166 61.222 0.944 19783 3391 1 7 . 1 1 39 39 ILE CB C 39 38.218 38.218 39.015 -0.797 19783 3392 1 7 . 1 1 39 39 ILE H H 39 7.252 7.252 8.050 -0.798 19783 3393 1 7 . 1 1 40 40 LYS N N 40 128.321 128.321 126.951 1.370 19783 3394 1 7 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.737 -0.334 19783 3395 1 7 . 1 1 40 40 LYS C C 40 173.755 173.755 174.941 -1.186 19783 3396 1 7 . 1 1 40 40 LYS CA C 40 55.056 55.056 55.249 -0.193 19783 3397 1 7 . 1 1 40 40 LYS CB C 40 36.010 36.010 34.569 1.441 19783 3398 1 7 . 1 1 40 40 LYS H H 40 8.760 8.760 8.265 0.495 19783 3399 1 7 . 1 1 41 41 VAL N N 41 121.679 121.679 123.173 -1.494 19783 3400 1 7 . 1 1 41 41 VAL HA H 41 4.760 4.760 4.984 -0.224 19783 3401 1 7 . 1 1 41 41 VAL C C 41 175.405 175.405 175.327 0.078 19783 3402 1 7 . 1 1 41 41 VAL CA C 41 60.873 60.873 61.057 -0.184 19783 3403 1 7 . 1 1 41 41 VAL CB C 41 33.886 33.886 33.612 0.274 19783 3404 1 7 . 1 1 41 41 VAL H H 41 7.902 7.902 8.511 -0.609 19783 3405 1 7 . 1 1 42 42 PHE N N 42 126.800 126.800 128.108 -1.308 19783 3406 1 7 . 1 1 42 42 PHE HA H 42 4.869 4.869 5.065 -0.196 19783 3407 1 7 . 1 1 42 42 PHE C C 42 172.340 172.340 173.516 -1.176 19783 3408 1 7 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.666 -0.576 19783 3409 1 7 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.074 -1.084 19783 3410 1 7 . 1 1 42 42 PHE H H 42 9.352 9.352 9.007 0.345 19783 3411 1 7 . 1 1 43 43 TRP N N 43 119.314 119.314 124.882 -5.568 19783 3412 1 7 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.342 0.393 19783 3413 1 7 . 1 1 43 43 TRP C C 43 177.393 177.393 173.998 3.395 19783 3414 1 7 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.439 0.457 19783 3415 1 7 . 1 1 43 43 TRP CB C 43 32.055 32.055 32.968 -0.913 19783 3416 1 7 . 1 1 43 43 TRP H H 43 8.847 8.847 8.102 0.745 19783 3417 1 7 . 1 1 44 44 GLN N N 44 118.782 118.782 121.130 -2.348 19783 3418 1 7 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.568 0.436 19783 3419 1 7 . 1 1 44 44 GLN C C 44 175.035 175.035 173.946 1.089 19783 3420 1 7 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.511 -0.348 19783 3421 1 7 . 1 1 44 44 GLN CB C 44 33.065 33.065 32.821 0.244 19783 3422 1 7 . 1 1 44 44 GLN H H 44 9.376 9.376 8.204 1.172 19783 3423 1 7 . 1 1 45 45 VAL N N 45 121.659 121.659 126.985 -5.326 19783 3424 1 7 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.621 -0.215 19783 3425 1 7 . 1 1 45 45 VAL C C 45 176.921 176.921 175.325 1.596 19783 3426 1 7 . 1 1 45 45 VAL CA C 45 61.827 61.827 60.394 1.433 19783 3427 1 7 . 1 1 45 45 VAL CB C 45 34.260 34.260 33.461 0.799 19783 3428 1 7 . 1 1 45 45 VAL H H 45 8.796 8.796 8.661 0.135 19783 3429 1 7 . 1 1 46 46 ASN N N 46 128.796 128.796 125.201 3.595 19783 3430 1 7 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.321 0.062 19783 3431 1 7 . 1 1 46 46 ASN C C 46 175.523 175.523 175.754 -0.231 19783 3432 1 7 . 1 1 46 46 ASN CA C 46 54.279 54.279 54.203 0.076 19783 3433 1 7 . 1 1 46 46 ASN CB C 46 37.485 37.485 37.087 0.397 19783 3434 1 7 . 1 1 46 46 ASN H H 46 9.628 9.628 9.259 0.369 19783 3435 1 7 . 1 1 47 47 GLY N N 47 102.032 102.032 103.017 -0.985 19783 3436 1 7 . 1 1 47 47 GLY C C 47 173.519 173.519 174.129 -0.610 19783 3437 1 7 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.280 0.193 19783 3438 1 7 . 1 1 47 47 GLY H H 47 8.820 8.820 8.558 0.262 19783 3439 1 7 . 1 1 48 48 VAL N N 48 120.265 120.265 118.741 1.524 19783 3440 1 7 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.554 -0.299 19783 3441 1 7 . 1 1 48 48 VAL C C 48 175.691 175.691 175.039 0.652 19783 3442 1 7 . 1 1 48 48 VAL CA C 48 61.080 61.080 59.397 1.683 19783 3443 1 7 . 1 1 48 48 VAL CB C 48 34.420 34.420 33.296 1.124 19783 3444 1 7 . 1 1 48 48 VAL H H 48 7.529 7.529 7.553 -0.024 19783 3445 1 7 . 1 1 49 49 GLU N N 49 128.059 128.059 125.666 2.393 19783 3446 1 7 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.263 0.474 19783 3447 1 7 . 1 1 49 49 GLU C C 49 175.927 175.927 176.605 -0.678 19783 3448 1 7 . 1 1 49 49 GLU CA C 49 57.835 57.835 57.609 0.225 19783 3449 1 7 . 1 1 49 49 GLU CB C 49 29.551 29.551 29.879 -0.328 19783 3450 1 7 . 1 1 49 49 GLU H H 49 8.851 8.851 8.707 0.144 19783 3451 1 7 . 1 1 50 50 ARG N N 50 128.391 128.391 123.692 4.699 19783 3452 1 7 . 1 1 50 50 ARG CA C 50 54.280 54.280 55.516 -1.236 19783 3453 1 7 . 1 1 50 50 ARG CB C 50 32.304 32.304 31.099 1.206 19783 3454 1 7 . 1 1 50 50 ARG H H 50 8.704 8.704 8.337 0.367 19783 3455 1 7 . 1 1 51 51 LYS N N 51 124.441 124.441 120.884 3.557 19783 3456 1 7 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.294 0.235 19783 3457 1 7 . 1 1 51 51 LYS CA C 51 56.868 56.868 55.851 1.017 19783 3458 1 7 . 1 1 51 51 LYS CB C 51 34.604 34.604 32.807 1.797 19783 3459 1 7 . 1 1 51 51 LYS H H 51 8.772 8.772 8.395 0.377 19783 3460 1 7 . 1 1 52 52 LYS N N 52 122.374 122.374 119.190 3.184 19783 3461 1 7 . 1 1 52 52 LYS HA H 52 4.197 4.197 3.962 0.235 19783 3462 1 7 . 1 1 52 52 LYS C C 52 176.921 176.921 177.340 -0.419 19783 3463 1 7 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.692 -0.213 19783 3464 1 7 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.510 0.532 19783 3465 1 7 . 1 1 52 52 LYS H H 52 7.752 7.752 8.357 -0.605 19783 3466 1 7 . 1 1 53 53 GLY N N 53 112.970 112.970 107.752 5.218 19783 3467 1 7 . 1 1 53 53 GLY C C 53 173.872 173.872 173.343 0.529 19783 3468 1 7 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.684 0.972 19783 3469 1 7 . 1 1 53 53 GLY H H 53 8.832 8.832 8.244 0.588 19783 3470 1 7 . 1 1 54 54 VAL N N 54 120.474 120.474 122.633 -2.159 19783 3471 1 7 . 1 1 54 54 VAL HA H 54 4.483 4.483 3.983 0.500 19783 3472 1 7 . 1 1 54 54 VAL C C 54 176.870 176.870 174.715 2.155 19783 3473 1 7 . 1 1 54 54 VAL CA C 54 62.101 62.101 62.903 -0.802 19783 3474 1 7 . 1 1 54 54 VAL CB C 54 33.587 33.587 31.651 1.936 19783 3475 1 7 . 1 1 54 54 VAL H H 54 7.004 7.004 7.608 -0.604 19783 3476 1 7 . 1 1 55 55 GLU N N 55 129.276 129.276 129.018 0.258 19783 3477 1 7 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.837 -0.120 19783 3478 1 7 . 1 1 55 55 GLU C C 55 175.068 175.068 174.989 0.079 19783 3479 1 7 . 1 1 55 55 GLU CA C 55 55.831 55.831 53.969 1.862 19783 3480 1 7 . 1 1 55 55 GLU CB C 55 32.917 32.917 33.915 -0.998 19783 3481 1 7 . 1 1 55 55 GLU H H 55 9.091 9.091 8.977 0.114 19783 3482 1 7 . 1 1 56 56 THR N N 56 126.675 126.675 114.127 12.548 19783 3483 1 7 . 1 1 56 56 THR HA H 56 4.881 4.881 5.104 -0.223 19783 3484 1 7 . 1 1 56 56 THR CA C 56 62.268 62.268 60.387 1.881 19783 3485 1 7 . 1 1 56 56 THR CB C 56 69.679 69.679 70.419 -0.740 19783 3486 1 7 . 1 1 56 56 THR H H 56 9.162 9.162 8.429 0.733 19783 3487 1 7 . 1 1 57 57 GLN N N 57 127.368 127.368 124.129 3.239 19783 3488 1 7 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.502 -0.113 19783 3489 1 7 . 1 1 57 57 GLN C C 57 175.254 175.254 176.147 -0.893 19783 3490 1 7 . 1 1 57 57 GLN CA C 57 55.285 55.285 55.362 -0.077 19783 3491 1 7 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.037 0.468 19783 3492 1 7 . 1 1 57 57 GLN H H 57 8.638 8.638 8.898 -0.260 19783 3493 1 7 . 1 1 58 58 ASN N N 58 118.031 118.031 119.324 -1.293 19783 3494 1 7 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.758 0.082 19783 3495 1 7 . 1 1 58 58 ASN CA C 58 52.081 52.081 52.047 0.034 19783 3496 1 7 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.099 -0.806 19783 3497 1 7 . 1 1 58 58 ASN H H 58 8.398 8.398 8.573 -0.175 19783 3498 1 7 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.458 0.157 19783 3499 1 7 . 1 1 59 59 PRO CA C 59 63.453 63.453 63.037 0.416 19783 3500 1 7 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.074 0.188 19783 3501 1 7 . 1 1 60 60 GLU N N 60 122.445 122.445 122.608 -0.163 19783 3502 1 7 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.617 0.021 19783 3503 1 7 . 1 1 60 60 GLU C C 60 175.574 175.574 174.867 0.707 19783 3504 1 7 . 1 1 60 60 GLU CA C 60 54.797 54.797 54.440 0.357 19783 3505 1 7 . 1 1 60 60 GLU CB C 60 32.614 32.614 32.776 -0.162 19783 3506 1 7 . 1 1 60 60 GLU H H 60 8.704 8.704 8.491 0.213 19783 3507 1 7 . 1 1 61 61 TRP N N 61 125.833 125.833 124.665 1.168 19783 3508 1 7 . 1 1 61 61 TRP HA H 61 5.060 5.060 5.381 -0.321 19783 3509 1 7 . 1 1 61 61 TRP C C 61 176.651 176.651 176.546 0.105 19783 3510 1 7 . 1 1 61 61 TRP CA C 61 57.163 57.163 56.056 1.107 19783 3511 1 7 . 1 1 61 61 TRP CB C 61 30.886 30.886 32.305 -1.419 19783 3512 1 7 . 1 1 61 61 TRP H H 61 8.817 8.817 8.585 0.232 19783 3513 1 7 . 1 1 62 62 SER N N 62 120.682 120.682 120.289 0.393 19783 3514 1 7 . 1 1 62 62 SER HA H 62 4.424 4.424 4.823 -0.399 19783 3515 1 7 . 1 1 62 62 SER C C 62 174.614 174.614 174.653 -0.039 19783 3516 1 7 . 1 1 62 62 SER CA C 62 57.422 57.422 57.420 0.002 19783 3517 1 7 . 1 1 62 62 SER CB C 62 64.113 64.113 63.955 0.158 19783 3518 1 7 . 1 1 62 62 SER H H 62 8.551 8.551 8.973 -0.422 19783 3519 1 7 . 1 1 63 63 GLY N N 63 112.655 112.655 116.313 -3.658 19783 3520 1 7 . 1 1 63 63 GLY CA C 63 46.488 46.488 46.860 -0.372 19783 3521 1 7 . 1 1 63 63 GLY H H 63 6.895 6.895 8.820 -1.925 19783 3522 1 7 . 1 1 64 64 SER HA H 64 4.347 4.347 4.830 -0.483 19783 3523 1 7 . 1 1 64 64 SER CA C 64 59.027 59.027 58.132 0.895 19783 3524 1 7 . 1 1 64 64 SER CB C 64 63.975 63.975 63.995 -0.020 19783 3525 1 7 . 1 1 65 65 LYS N N 65 120.463 120.463 122.022 -1.559 19783 3526 1 7 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.701 -0.218 19783 3527 1 7 . 1 1 65 65 LYS C C 65 174.816 174.816 175.332 -0.516 19783 3528 1 7 . 1 1 65 65 LYS CA C 65 54.862 54.862 54.322 0.540 19783 3529 1 7 . 1 1 65 65 LYS CB C 65 35.788 35.788 34.419 1.369 19783 3530 1 7 . 1 1 65 65 LYS H H 65 7.441 7.441 8.174 -0.733 19783 3531 1 7 . 1 1 66 66 SER N N 66 117.984 117.984 115.608 2.376 19783 3532 1 7 . 1 1 66 66 SER HA H 66 4.999 4.999 5.090 -0.091 19783 3533 1 7 . 1 1 66 66 SER C C 66 172.205 172.205 173.683 -1.478 19783 3534 1 7 . 1 1 66 66 SER CA C 66 57.739 57.739 56.775 0.964 19783 3535 1 7 . 1 1 66 66 SER CB C 66 64.876 64.876 65.857 -0.981 19783 3536 1 7 . 1 1 66 66 SER H H 66 8.522 8.522 8.725 -0.202 19783 3537 1 7 . 1 1 67 67 THR N N 67 115.663 115.663 119.344 -3.681 19783 3538 1 7 . 1 1 67 67 THR HA H 67 5.608 5.608 4.751 0.857 19783 3539 1 7 . 1 1 67 67 THR C C 67 175.102 175.102 173.036 2.066 19783 3540 1 7 . 1 1 67 67 THR CA C 67 60.739 60.739 61.882 -1.143 19783 3541 1 7 . 1 1 67 67 THR CB C 67 72.013 72.013 70.726 1.287 19783 3542 1 7 . 1 1 67 67 THR H H 67 8.354 8.354 8.811 -0.457 19783 3543 1 7 . 1 1 68 68 ILE N N 68 127.394 127.394 129.263 -1.869 19783 3544 1 7 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.411 -0.108 19783 3545 1 7 . 1 1 68 68 ILE C C 68 173.519 173.519 174.123 -0.604 19783 3546 1 7 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.246 2.030 19783 3547 1 7 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.405 1.722 19783 3548 1 7 . 1 1 68 68 ILE H H 68 9.529 9.529 8.797 0.732 19783 3549 1 7 . 1 1 69 69 VAL N N 69 125.903 125.903 128.312 -2.409 19783 3550 1 7 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.302 0.555 19783 3551 1 7 . 1 1 69 69 VAL C C 69 174.917 174.917 174.888 0.029 19783 3552 1 7 . 1 1 69 69 VAL CA C 69 61.241 61.241 61.803 -0.562 19783 3553 1 7 . 1 1 69 69 VAL CB C 69 34.136 34.136 33.161 0.975 19783 3554 1 7 . 1 1 69 69 VAL H H 69 7.253 7.253 8.651 -1.398 19783 3555 1 7 . 1 1 70 70 SER N N 70 121.681 121.681 123.511 -1.830 19783 3556 1 7 . 1 1 70 70 SER HA H 70 5.397 5.397 5.527 -0.130 19783 3557 1 7 . 1 1 70 70 SER C C 70 173.047 173.047 173.414 -0.367 19783 3558 1 7 . 1 1 70 70 SER CA C 70 56.407 56.407 56.169 0.238 19783 3559 1 7 . 1 1 70 70 SER CB C 70 64.832 64.832 64.821 0.011 19783 3560 1 7 . 1 1 70 70 SER H H 70 9.302 9.302 9.329 -0.027 19783 3561 1 7 . 1 1 71 71 LYS N N 71 127.421 127.421 127.950 -0.529 19783 3562 1 7 . 1 1 71 71 LYS HA H 71 5.360 5.360 4.894 0.466 19783 3563 1 7 . 1 1 71 71 LYS C C 71 173.603 173.603 174.467 -0.864 19783 3564 1 7 . 1 1 71 71 LYS CA C 71 54.771 54.771 54.956 -0.186 19783 3565 1 7 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.270 0.838 19783 3566 1 7 . 1 1 71 71 LYS H H 71 9.029 9.029 8.903 0.126 19783 3567 1 7 . 1 1 72 72 LEU N N 72 124.252 124.252 123.296 0.956 19783 3568 1 7 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.850 -0.568 19783 3569 1 7 . 1 1 72 72 LEU C C 72 174.075 174.075 175.404 -1.329 19783 3570 1 7 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.403 0.597 19783 3571 1 7 . 1 1 72 72 LEU CB C 72 41.516 41.516 44.096 -2.580 19783 3572 1 7 . 1 1 72 72 LEU H H 72 8.407 8.407 8.909 -0.502 19783 3573 1 7 . 1 1 73 73 LYS N N 73 128.141 128.141 128.532 -0.391 19783 3574 1 7 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.300 0.478 19783 3575 1 7 . 1 1 73 73 LYS C C 73 176.331 176.331 174.659 1.672 19783 3576 1 7 . 1 1 73 73 LYS CA C 73 55.250 55.250 55.304 -0.054 19783 3577 1 7 . 1 1 73 73 LYS CB C 73 33.333 33.333 32.081 1.252 19783 3578 1 7 . 1 1 73 73 LYS H H 73 8.090 8.090 8.607 -0.517 19783 3579 1 7 . 1 1 74 74 VAL N N 74 121.453 121.453 118.390 3.063 19783 3580 1 7 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.522 0.110 19783 3581 1 7 . 1 1 74 74 VAL C C 74 175.590 175.590 174.751 0.839 19783 3582 1 7 . 1 1 74 74 VAL CA C 74 58.455 58.455 59.561 -1.106 19783 3583 1 7 . 1 1 74 74 VAL CB C 74 35.744 35.744 35.083 0.661 19783 3584 1 7 . 1 1 74 74 VAL H H 74 8.730 8.730 7.687 1.043 19783 3585 1 7 . 1 1 75 75 MET N N 75 119.151 119.151 120.326 -1.175 19783 3586 1 7 . 1 1 75 75 MET HA H 75 4.560 4.560 4.613 -0.053 19783 3587 1 7 . 1 1 75 75 MET CA C 75 55.753 55.753 55.559 0.194 19783 3588 1 7 . 1 1 75 75 MET CB C 75 32.563 32.563 32.860 -0.297 19783 3589 1 7 . 1 1 75 75 MET H H 75 8.724 8.724 8.898 -0.174 19783 3590 1 7 . 1 1 76 76 ALA N N 76 127.351 127.351 128.898 -1.547 19783 3591 1 7 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.018 -0.276 19783 3592 1 7 . 1 1 76 76 ALA C C 76 178.487 178.487 179.444 -0.957 19783 3593 1 7 . 1 1 76 76 ALA CA C 76 55.953 55.953 55.756 0.197 19783 3594 1 7 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.111 -0.117 19783 3595 1 7 . 1 1 76 76 ALA H H 76 8.460 8.460 8.948 -0.488 19783 3596 1 7 . 1 1 77 77 SER N N 77 110.202 110.202 113.391 -3.189 19783 3597 1 7 . 1 1 77 77 SER HA H 77 4.149 4.149 4.119 0.030 19783 3598 1 7 . 1 1 77 77 SER C C 77 176.550 176.550 176.605 -0.055 19783 3599 1 7 . 1 1 77 77 SER CA C 77 60.894 60.894 62.067 -1.173 19783 3600 1 7 . 1 1 77 77 SER CB C 77 61.996 61.996 62.538 -0.542 19783 3601 1 7 . 1 1 77 77 SER H H 77 8.460 8.460 8.580 -0.120 19783 3602 1 7 . 1 1 78 78 GLU N N 78 124.828 124.828 123.414 1.414 19783 3603 1 7 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.123 0.027 19783 3604 1 7 . 1 1 78 78 GLU C C 78 179.599 179.599 177.776 1.823 19783 3605 1 7 . 1 1 78 78 GLU CA C 78 59.118 59.118 59.127 -0.009 19783 3606 1 7 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.460 1.911 19783 3607 1 7 . 1 1 78 78 GLU H H 78 7.336 7.336 7.645 -0.309 19783 3608 1 7 . 1 1 79 79 TRP N N 79 123.252 123.252 120.899 2.353 19783 3609 1 7 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.496 0.138 19783 3610 1 7 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.561 1.233 19783 3611 1 7 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.565 -0.097 19783 3612 1 7 . 1 1 79 79 TRP H H 79 7.469 7.469 8.274 -0.805 19783 3613 1 7 . 1 1 80 80 ASP N N 80 116.114 116.114 118.011 -1.897 19783 3614 1 7 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.086 0.207 19783 3615 1 7 . 1 1 80 80 ASP C C 80 177.174 177.174 176.732 0.442 19783 3616 1 7 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.035 0.571 19783 3617 1 7 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.266 1.068 19783 3618 1 7 . 1 1 80 80 ASP H H 80 8.816 8.816 8.401 0.415 19783 3619 1 7 . 1 1 81 81 SER N N 81 112.692 112.692 112.321 0.371 19783 3620 1 7 . 1 1 81 81 SER HA H 81 4.338 4.338 4.334 0.004 19783 3621 1 7 . 1 1 81 81 SER C C 81 175.203 175.203 175.459 -0.256 19783 3622 1 7 . 1 1 81 81 SER CA C 81 59.645 59.645 58.508 1.137 19783 3623 1 7 . 1 1 81 81 SER CB C 81 64.055 64.055 63.685 0.370 19783 3624 1 7 . 1 1 81 81 SER H H 81 7.393 7.393 7.553 -0.160 19783 3625 1 7 . 1 1 82 82 GLY N N 82 108.811 108.811 109.981 -1.170 19783 3626 1 7 . 1 1 82 82 GLY C C 82 173.687 173.687 174.753 -1.066 19783 3627 1 7 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.420 0.800 19783 3628 1 7 . 1 1 82 82 GLY H H 82 7.587 7.587 7.562 0.025 19783 3629 1 7 . 1 1 83 83 THR N N 83 116.253 116.253 115.929 0.324 19783 3630 1 7 . 1 1 83 83 THR HA H 83 3.668 3.668 4.071 -0.403 19783 3631 1 7 . 1 1 83 83 THR C C 83 170.908 170.908 174.876 -3.968 19783 3632 1 7 . 1 1 83 83 THR CA C 83 63.674 63.674 64.620 -0.945 19783 3633 1 7 . 1 1 83 83 THR CB C 83 70.037 70.037 69.581 0.456 19783 3634 1 7 . 1 1 83 83 THR H H 83 6.788 6.788 7.377 -0.589 19783 3635 1 7 . 1 1 84 84 GLU N N 84 124.967 124.967 125.796 -0.829 19783 3636 1 7 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.289 0.388 19783 3637 1 7 . 1 1 84 84 GLU C C 84 174.462 174.462 175.347 -0.885 19783 3638 1 7 . 1 1 84 84 GLU CA C 84 55.508 55.508 57.130 -1.622 19783 3639 1 7 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.268 1.776 19783 3640 1 7 . 1 1 84 84 GLU H H 84 8.006 8.006 8.636 -0.630 19783 3641 1 7 . 1 1 85 85 TYR N N 85 127.327 127.327 123.971 3.356 19783 3642 1 7 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.117 -0.168 19783 3643 1 7 . 1 1 85 85 TYR C C 85 174.563 174.563 174.433 0.130 19783 3644 1 7 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.263 1.186 19783 3645 1 7 . 1 1 85 85 TYR CB C 85 41.291 41.291 40.864 0.427 19783 3646 1 7 . 1 1 85 85 TYR H H 85 8.993 8.993 8.220 0.773 19783 3647 1 7 . 1 1 86 86 VAL N N 86 121.985 121.985 122.361 -0.376 19783 3648 1 7 . 1 1 86 86 VAL HA H 86 4.884 4.884 4.668 0.216 19783 3649 1 7 . 1 1 86 86 VAL C C 86 173.822 173.822 173.781 0.041 19783 3650 1 7 . 1 1 86 86 VAL CA C 86 60.701 60.701 60.146 0.555 19783 3651 1 7 . 1 1 86 86 VAL CB C 86 35.536 35.536 34.601 0.935 19783 3652 1 7 . 1 1 86 86 VAL H H 86 8.873 8.873 8.291 0.582 19783 3653 1 7 . 1 1 87 87 CYS N N 87 127.376 127.376 126.684 0.692 19783 3654 1 7 . 1 1 87 87 CYS HA H 87 3.909 3.909 4.416 -0.507 19783 3655 1 7 . 1 1 87 87 CYS C C 87 171.211 171.211 172.884 -1.673 19783 3656 1 7 . 1 1 87 87 CYS CA C 87 52.879 52.879 55.991 -3.112 19783 3657 1 7 . 1 1 87 87 CYS CB C 87 44.008 44.008 28.419 15.589 19783 3658 1 7 . 1 1 87 87 CYS H H 87 8.312 8.312 8.815 -0.503 19783 3659 1 7 . 1 1 88 88 LEU N N 88 127.118 127.118 128.376 -1.258 19783 3660 1 7 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.694 -0.748 19783 3661 1 7 . 1 1 88 88 LEU C C 88 173.957 173.957 175.410 -1.453 19783 3662 1 7 . 1 1 88 88 LEU CA C 88 54.504 54.504 52.673 1.831 19783 3663 1 7 . 1 1 88 88 LEU CB C 88 45.537 45.537 46.789 -1.252 19783 3664 1 7 . 1 1 88 88 LEU H H 88 8.837 8.837 8.949 -0.112 19783 3665 1 7 . 1 1 89 89 VAL N N 89 120.421 120.421 122.845 -2.424 19783 3666 1 7 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.805 0.059 19783 3667 1 7 . 1 1 89 89 VAL C C 89 174.580 174.580 174.902 -0.322 19783 3668 1 7 . 1 1 89 89 VAL CA C 89 60.421 60.421 60.560 -0.139 19783 3669 1 7 . 1 1 89 89 VAL CB C 89 34.505 34.505 34.441 0.063 19783 3670 1 7 . 1 1 89 89 VAL H H 89 8.687 8.687 8.867 -0.180 19783 3671 1 7 . 1 1 90 90 GLU N N 90 122.482 122.482 127.406 -4.924 19783 3672 1 7 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.737 0.086 19783 3673 1 7 . 1 1 90 90 GLU C C 90 174.664 174.664 173.872 0.792 19783 3674 1 7 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.849 -0.647 19783 3675 1 7 . 1 1 90 90 GLU CB C 90 34.685 34.685 33.196 1.489 19783 3676 1 7 . 1 1 90 90 GLU H H 90 8.551 8.551 8.638 -0.087 19783 3677 1 7 . 1 1 91 91 ASP N N 91 119.348 119.348 122.082 -2.734 19783 3678 1 7 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.824 -0.080 19783 3679 1 7 . 1 1 91 91 ASP C C 91 176.921 176.921 176.204 0.717 19783 3680 1 7 . 1 1 91 91 ASP CA C 91 54.603 54.603 53.286 1.317 19783 3681 1 7 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.247 4.311 19783 3682 1 7 . 1 1 91 91 ASP H H 91 7.980 7.980 8.525 -0.545 19783 3683 1 7 . 1 1 92 92 SER N N 92 121.504 121.504 118.295 3.209 19783 3684 1 7 . 1 1 92 92 SER HA H 92 4.158 4.158 4.289 -0.131 19783 3685 1 7 . 1 1 92 92 SER C C 92 175.574 175.574 175.244 0.330 19783 3686 1 7 . 1 1 92 92 SER CA C 92 61.803 61.803 60.553 1.250 19783 3687 1 7 . 1 1 92 92 SER CB C 92 62.911 62.911 62.736 0.175 19783 3688 1 7 . 1 1 92 92 SER H H 92 7.973 7.973 8.904 -0.931 19783 3689 1 7 . 1 1 93 93 GLU N N 93 121.008 121.008 119.065 1.943 19783 3690 1 7 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.384 -0.095 19783 3691 1 7 . 1 1 93 93 GLU C C 93 176.517 176.517 176.471 0.046 19783 3692 1 7 . 1 1 93 93 GLU CA C 93 56.610 56.610 55.877 0.733 19783 3693 1 7 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.519 -0.544 19783 3694 1 7 . 1 1 93 93 GLU H H 93 9.782 9.782 8.415 1.367 19783 3695 1 7 . 1 1 94 94 LEU N N 94 121.375 121.375 120.012 1.363 19783 3696 1 7 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.762 0.023 19783 3697 1 7 . 1 1 94 94 LEU CA C 94 51.759 51.759 51.913 -0.154 19783 3698 1 7 . 1 1 94 94 LEU CB C 94 42.854 42.854 41.391 1.463 19783 3699 1 7 . 1 1 94 94 LEU H H 94 7.802 7.802 7.435 0.367 19783 3700 1 7 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.515 -0.231 19783 3701 1 7 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.790 1.017 19783 3702 1 7 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.177 0.123 19783 3703 1 7 . 1 1 96 96 THR N N 96 109.657 109.657 111.129 -1.472 19783 3704 1 7 . 1 1 96 96 THR HA H 96 4.499 4.499 4.695 -0.196 19783 3705 1 7 . 1 1 96 96 THR CA C 96 58.673 58.673 58.871 -0.198 19783 3706 1 7 . 1 1 96 96 THR CB C 96 70.994 70.994 70.849 0.145 19783 3707 1 7 . 1 1 96 96 THR H H 96 7.094 7.094 7.847 -0.753 19783 3708 1 7 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.582 0.164 19783 3709 1 7 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.637 0.657 19783 3710 1 7 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.622 0.347 19783 3711 1 7 . 1 1 98 98 VAL N N 98 122.997 122.997 123.220 -0.223 19783 3712 1 7 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.190 0.018 19783 3713 1 7 . 1 1 98 98 VAL C C 98 173.923 173.923 175.237 -1.314 19783 3714 1 7 . 1 1 98 98 VAL CA C 98 61.972 61.972 62.097 -0.125 19783 3715 1 7 . 1 1 98 98 VAL CB C 98 33.468 33.468 31.433 2.035 19783 3716 1 7 . 1 1 98 98 VAL H H 98 8.358 8.358 8.686 -0.328 19783 3717 1 7 . 1 1 99 99 LYS N N 99 122.194 122.194 127.148 -4.954 19783 3718 1 7 . 1 1 99 99 LYS HA H 99 5.482 5.482 5.171 0.311 19783 3719 1 7 . 1 1 99 99 LYS C C 99 174.984 174.984 175.248 -0.264 19783 3720 1 7 . 1 1 99 99 LYS CA C 99 54.322 54.322 54.265 0.057 19783 3721 1 7 . 1 1 99 99 LYS CB C 99 37.320 37.320 34.744 2.576 19783 3722 1 7 . 1 1 99 99 LYS H H 99 8.340 8.340 8.276 0.064 19783 3723 1 7 . 1 1 100 100 ALA N N 100 123.875 123.875 125.660 -1.785 19783 3724 1 7 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.519 0.119 19783 3725 1 7 . 1 1 100 100 ALA C C 100 174.243 174.243 175.041 -0.798 19783 3726 1 7 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.592 -0.200 19783 3727 1 7 . 1 1 100 100 ALA CB C 100 23.012 23.012 20.684 2.328 19783 3728 1 7 . 1 1 100 100 ALA H H 100 8.600 8.600 8.664 -0.064 19783 3729 1 7 . 1 1 101 101 SER N N 101 114.189 114.189 118.255 -4.066 19783 3730 1 7 . 1 1 101 101 SER HA H 101 5.761 5.761 5.508 0.253 19783 3731 1 7 . 1 1 101 101 SER C C 101 173.519 173.519 174.024 -0.505 19783 3732 1 7 . 1 1 101 101 SER CA C 101 56.346 56.346 56.340 0.007 19783 3733 1 7 . 1 1 101 101 SER CB C 101 67.504 67.504 65.237 2.267 19783 3734 1 7 . 1 1 101 101 SER H H 101 8.367 8.367 8.440 -0.073 19783 3735 1 7 . 1 1 102 102 ILE N N 102 121.742 121.742 123.972 -2.230 19783 3736 1 7 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.543 0.235 19783 3737 1 7 . 1 1 102 102 ILE C C 102 170.824 170.824 173.771 -2.947 19783 3738 1 7 . 1 1 102 102 ILE CA C 102 61.198 61.198 60.481 0.717 19783 3739 1 7 . 1 1 102 102 ILE CB C 102 41.820 41.820 40.973 0.847 19783 3740 1 7 . 1 1 102 102 ILE H H 102 9.317 9.317 8.988 0.329 19783 3741 1 7 . 1 1 103 103 ARG N N 103 120.111 120.111 126.445 -6.334 19783 3742 1 7 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.665 -0.084 19783 3743 1 7 . 1 1 103 103 ARG C C 103 174.411 174.411 174.853 -0.442 19783 3744 1 7 . 1 1 103 103 ARG CA C 103 54.474 54.474 54.482 -0.008 19783 3745 1 7 . 1 1 103 103 ARG CB C 103 34.589 34.589 32.814 1.775 19783 3746 1 7 . 1 1 103 103 ARG H H 103 7.525 7.525 8.545 -1.020 19783 3747 1 7 . 1 1 104 104 LYS N N 104 126.177 126.177 123.931 2.246 19783 3748 1 7 . 1 1 104 104 LYS HA H 104 3.614 3.614 4.211 -0.597 19783 3749 1 7 . 1 1 104 104 LYS C C 104 175.287 175.287 176.286 -0.999 19783 3750 1 7 . 1 1 104 104 LYS CA C 104 58.288 58.288 55.620 2.668 19783 3751 1 7 . 1 1 104 104 LYS CB C 104 32.169 32.169 32.890 -0.721 19783 3752 1 7 . 1 1 104 104 LYS H H 104 9.077 9.077 8.132 0.945 19783 3753 1 8 . 1 1 2 2 GLY CA C 2 43.533 43.533 45.311 -1.778 19783 3754 1 8 . 1 1 3 3 ARG HA H 3 4.368 4.368 4.138 0.230 19783 3755 1 8 . 1 1 3 3 ARG CA C 3 56.394 56.394 56.123 0.271 19783 3756 1 8 . 1 1 3 3 ARG CB C 3 31.358 31.358 29.173 2.185 19783 3757 1 8 . 1 1 4 4 GLN N N 4 122.771 122.771 120.368 2.403 19783 3758 1 8 . 1 1 4 4 GLN HA H 4 4.393 4.393 4.119 0.274 19783 3759 1 8 . 1 1 4 4 GLN C C 4 175.843 175.843 176.171 -0.328 19783 3760 1 8 . 1 1 4 4 GLN CA C 4 56.155 56.155 56.438 -0.283 19783 3761 1 8 . 1 1 4 4 GLN CB C 4 29.413 29.413 29.018 0.395 19783 3762 1 8 . 1 1 4 4 GLN H H 4 8.899 8.899 8.193 0.706 19783 3763 1 8 . 1 1 5 5 THR N N 5 115.866 115.866 122.342 -6.476 19783 3764 1 8 . 1 1 5 5 THR HA H 5 4.276 4.276 4.355 -0.079 19783 3765 1 8 . 1 1 5 5 THR C C 5 173.957 173.957 174.008 -0.051 19783 3766 1 8 . 1 1 5 5 THR CA C 5 62.295 62.295 61.325 0.970 19783 3767 1 8 . 1 1 5 5 THR CB C 5 69.957 69.957 68.655 1.302 19783 3768 1 8 . 1 1 5 5 THR H H 5 8.063 8.063 8.364 -0.301 19783 3769 1 8 . 1 1 6 6 ASP N N 6 124.653 124.653 129.007 -4.354 19783 3770 1 8 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.777 -0.027 19783 3771 1 8 . 1 1 6 6 ASP C C 6 174.159 174.159 174.602 -0.443 19783 3772 1 8 . 1 1 6 6 ASP CA C 6 54.022 54.022 53.196 0.826 19783 3773 1 8 . 1 1 6 6 ASP CB C 6 41.741 41.741 41.662 0.079 19783 3774 1 8 . 1 1 6 6 ASP H H 6 8.499 8.499 8.117 0.382 19783 3775 1 8 . 1 1 7 7 ILE N N 7 119.741 119.741 124.297 -4.556 19783 3776 1 8 . 1 1 7 7 ILE HA H 7 4.992 4.992 4.895 0.097 19783 3777 1 8 . 1 1 7 7 ILE C C 7 173.334 173.334 174.300 -0.966 19783 3778 1 8 . 1 1 7 7 ILE CA C 7 60.213 60.213 60.332 -0.119 19783 3779 1 8 . 1 1 7 7 ILE CB C 7 40.206 40.206 40.315 -0.109 19783 3780 1 8 . 1 1 7 7 ILE H H 7 7.799 7.799 8.141 -0.342 19783 3781 1 8 . 1 1 8 8 SER N N 8 121.920 121.920 126.586 -4.666 19783 3782 1 8 . 1 1 8 8 SER HA H 8 4.694 4.694 4.815 -0.121 19783 3783 1 8 . 1 1 8 8 SER C C 8 172.508 172.508 172.676 -0.168 19783 3784 1 8 . 1 1 8 8 SER CA C 8 56.801 56.801 57.593 -0.792 19783 3785 1 8 . 1 1 8 8 SER CB C 8 65.356 65.356 64.581 0.775 19783 3786 1 8 . 1 1 8 8 SER H H 8 8.850 8.850 9.133 -0.283 19783 3787 1 8 . 1 1 9 9 VAL N N 9 125.845 125.845 127.605 -1.760 19783 3788 1 8 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.478 0.131 19783 3789 1 8 . 1 1 9 9 VAL C C 9 174.647 174.647 175.484 -0.837 19783 3790 1 8 . 1 1 9 9 VAL CA C 9 61.730 61.730 61.799 -0.069 19783 3791 1 8 . 1 1 9 9 VAL CB C 9 34.372 34.372 32.714 1.658 19783 3792 1 8 . 1 1 9 9 VAL H H 9 8.452 8.452 8.648 -0.196 19783 3793 1 8 . 1 1 10 10 SER N N 10 121.312 121.312 124.504 -3.192 19783 3794 1 8 . 1 1 10 10 SER HA H 10 4.725 4.725 4.824 -0.099 19783 3795 1 8 . 1 1 10 10 SER C C 10 171.784 171.784 172.620 -0.836 19783 3796 1 8 . 1 1 10 10 SER CA C 10 57.060 57.060 56.699 0.361 19783 3797 1 8 . 1 1 10 10 SER CB C 10 65.764 65.764 65.692 0.072 19783 3798 1 8 . 1 1 10 10 SER H H 10 8.624 8.624 9.016 -0.392 19783 3799 1 8 . 1 1 11 11 LEU N N 11 124.101 124.101 125.321 -1.220 19783 3800 1 8 . 1 1 11 11 LEU HA H 11 5.475 5.475 4.843 0.632 19783 3801 1 8 . 1 1 11 11 LEU C C 11 175.894 175.894 176.228 -0.334 19783 3802 1 8 . 1 1 11 11 LEU CA C 11 53.556 53.556 54.151 -0.595 19783 3803 1 8 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.825 2.580 19783 3804 1 8 . 1 1 11 11 LEU H H 11 8.443 8.443 8.704 -0.261 19783 3805 1 8 . 1 1 12 12 LEU N N 12 124.363 124.363 126.359 -1.996 19783 3806 1 8 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.752 -0.173 19783 3807 1 8 . 1 1 12 12 LEU C C 12 175.708 175.708 175.047 0.661 19783 3808 1 8 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.073 0.591 19783 3809 1 8 . 1 1 12 12 LEU CB C 12 43.727 43.727 44.212 -0.484 19783 3810 1 8 . 1 1 12 12 LEU H H 12 8.977 8.977 9.387 -0.410 19783 3811 1 8 . 1 1 13 13 LYS N N 13 121.228 121.228 125.895 -4.667 19783 3812 1 8 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.293 -0.277 19783 3813 1 8 . 1 1 13 13 LYS CA C 13 54.332 54.332 54.635 -0.302 19783 3814 1 8 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.371 0.416 19783 3815 1 8 . 1 1 13 13 LYS H H 13 8.151 8.151 8.415 -0.264 19783 3816 1 8 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.521 -0.098 19783 3817 1 8 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.719 -0.314 19783 3818 1 8 . 1 1 15 15 PRO CB C 15 31.948 31.948 30.585 1.363 19783 3819 1 8 . 1 1 16 16 PHE N N 16 123.773 123.773 124.253 -0.480 19783 3820 1 8 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.182 -0.115 19783 3821 1 8 . 1 1 16 16 PHE CA C 16 60.874 60.874 60.398 0.476 19783 3822 1 8 . 1 1 16 16 PHE CB C 16 39.063 39.063 39.762 -0.699 19783 3823 1 8 . 1 1 16 16 PHE H H 16 8.348 8.348 7.926 0.422 19783 3824 1 8 . 1 1 19 19 ILE HA H 19 3.764 3.764 3.990 -0.226 19783 3825 1 8 . 1 1 19 19 ILE CA C 19 64.709 64.709 60.529 4.180 19783 3826 1 8 . 1 1 19 19 ILE CB C 19 38.630 38.630 38.113 0.517 19783 3827 1 8 . 1 1 19 19 ILE H H 19 8.268 8.268 7.546 0.722 19783 3828 1 8 . 1 1 20 20 TRP N N 20 119.035 119.035 121.528 -2.493 19783 3829 1 8 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.857 0.085 19783 3830 1 8 . 1 1 20 20 TRP C C 20 173.974 173.974 175.428 -1.454 19783 3831 1 8 . 1 1 20 20 TRP CA C 20 55.508 55.508 55.740 -0.232 19783 3832 1 8 . 1 1 20 20 TRP CB C 20 29.892 29.892 30.479 -0.587 19783 3833 1 8 . 1 1 20 20 TRP H H 20 8.275 8.275 7.539 0.736 19783 3834 1 8 . 1 1 21 21 THR N N 21 122.056 122.056 121.442 0.614 19783 3835 1 8 . 1 1 21 21 THR HA H 21 4.585 4.585 4.744 -0.159 19783 3836 1 8 . 1 1 21 21 THR CB C 21 70.303 70.303 69.398 0.905 19783 3837 1 8 . 1 1 21 21 THR H H 21 8.470 8.470 8.670 -0.200 19783 3838 1 8 . 1 1 23 23 GLN N N 23 123.024 123.024 120.965 2.059 19783 3839 1 8 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.237 -0.088 19783 3840 1 8 . 1 1 23 23 GLN CA C 23 58.179 58.179 56.133 2.046 19783 3841 1 8 . 1 1 23 23 GLN CB C 23 26.860 26.860 29.167 -2.307 19783 3842 1 8 . 1 1 23 23 GLN H H 23 8.638 8.638 8.472 0.166 19783 3843 1 8 . 1 1 24 24 THR N N 24 110.779 110.779 117.216 -6.437 19783 3844 1 8 . 1 1 24 24 THR HA H 24 4.785 4.785 4.410 0.375 19783 3845 1 8 . 1 1 24 24 THR CA C 24 60.278 60.278 62.330 -2.052 19783 3846 1 8 . 1 1 24 24 THR CB C 24 72.143 72.143 69.623 2.520 19783 3847 1 8 . 1 1 24 24 THR H H 24 7.402 7.402 8.328 -0.926 19783 3848 1 8 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.709 -0.616 19783 3849 1 8 . 1 1 25 25 ALA CA C 25 53.882 53.882 52.045 1.837 19783 3850 1 8 . 1 1 25 25 ALA CB C 25 19.459 19.459 21.244 -1.785 19783 3851 1 8 . 1 1 26 26 THR N N 26 116.103 116.103 113.626 2.477 19783 3852 1 8 . 1 1 26 26 THR CB C 26 69.894 69.894 70.139 -0.245 19783 3853 1 8 . 1 1 26 26 THR H H 26 7.874 7.874 7.402 0.472 19783 3854 1 8 . 1 1 27 27 ILE HA H 27 3.717 3.717 4.213 -0.496 19783 3855 1 8 . 1 1 27 27 ILE CA C 27 60.996 60.996 59.508 1.488 19783 3856 1 8 . 1 1 27 27 ILE CB C 27 39.127 39.127 41.410 -2.284 19783 3857 1 8 . 1 1 27 27 ILE H H 27 8.853 8.853 8.616 0.237 19783 3858 1 8 . 1 1 28 28 VAL N N 28 125.545 125.545 122.164 3.381 19783 3859 1 8 . 1 1 28 28 VAL HA H 28 4.651 4.651 5.022 -0.371 19783 3860 1 8 . 1 1 28 28 VAL C C 28 173.536 173.536 174.116 -0.580 19783 3861 1 8 . 1 1 28 28 VAL CA C 28 62.257 62.257 60.264 1.993 19783 3862 1 8 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.385 -1.199 19783 3863 1 8 . 1 1 28 28 VAL H H 28 7.502 7.502 8.651 -1.149 19783 3864 1 8 . 1 1 29 29 CYS N N 29 128.977 128.977 128.194 0.783 19783 3865 1 8 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.054 0.128 19783 3866 1 8 . 1 1 29 29 CYS C C 29 172.070 172.070 173.211 -1.141 19783 3867 1 8 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.729 -3.348 19783 3868 1 8 . 1 1 29 29 CYS CB C 29 43.709 43.709 28.485 15.224 19783 3869 1 8 . 1 1 29 29 CYS H H 29 9.907 9.907 9.674 0.233 19783 3870 1 8 . 1 1 30 30 GLU N N 30 126.688 126.688 130.221 -3.533 19783 3871 1 8 . 1 1 30 30 GLU HA H 30 4.852 4.852 5.231 -0.379 19783 3872 1 8 . 1 1 30 30 GLU CA C 30 55.742 55.742 54.722 1.020 19783 3873 1 8 . 1 1 30 30 GLU CB C 30 32.387 32.387 32.105 0.282 19783 3874 1 8 . 1 1 30 30 GLU H H 30 9.217 9.217 9.348 -0.131 19783 3875 1 8 . 1 1 31 31 ILE N N 31 130.021 130.021 124.252 5.769 19783 3876 1 8 . 1 1 31 31 ILE HA H 31 4.944 4.944 5.245 -0.301 19783 3877 1 8 . 1 1 31 31 ILE C C 31 174.580 174.580 173.383 1.197 19783 3878 1 8 . 1 1 31 31 ILE CA C 31 60.795 60.795 58.305 2.490 19783 3879 1 8 . 1 1 31 31 ILE CB C 31 40.658 40.658 39.783 0.875 19783 3880 1 8 . 1 1 31 31 ILE H H 31 9.119 9.119 9.177 -0.058 19783 3881 1 8 . 1 1 32 32 VAL N N 32 127.671 127.671 125.189 2.482 19783 3882 1 8 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.503 0.721 19783 3883 1 8 . 1 1 32 32 VAL C C 32 176.331 176.331 174.804 1.527 19783 3884 1 8 . 1 1 32 32 VAL CA C 32 61.204 61.204 59.811 1.393 19783 3885 1 8 . 1 1 32 32 VAL CB C 32 34.236 34.236 33.184 1.052 19783 3886 1 8 . 1 1 32 32 VAL H H 32 8.723 8.723 8.687 0.036 19783 3887 1 8 . 1 1 33 33 TYR N N 33 125.563 125.563 122.169 3.394 19783 3888 1 8 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.474 -0.089 19783 3889 1 8 . 1 1 33 33 TYR C C 33 172.424 172.424 173.874 -1.450 19783 3890 1 8 . 1 1 33 33 TYR CA C 33 56.468 56.468 54.949 1.519 19783 3891 1 8 . 1 1 33 33 TYR CB C 33 41.612 41.612 40.785 0.827 19783 3892 1 8 . 1 1 33 33 TYR H H 33 9.114 9.114 8.735 0.380 19783 3893 1 8 . 1 1 34 34 SER N N 34 111.556 111.556 115.681 -4.125 19783 3894 1 8 . 1 1 34 34 SER HA H 34 4.749 4.749 4.714 0.035 19783 3895 1 8 . 1 1 34 34 SER C C 34 174.108 174.108 174.397 -0.289 19783 3896 1 8 . 1 1 34 34 SER CA C 34 57.900 57.900 57.215 0.685 19783 3897 1 8 . 1 1 34 34 SER CB C 34 65.956 65.956 64.686 1.270 19783 3898 1 8 . 1 1 34 34 SER H H 34 8.342 8.342 8.723 -0.381 19783 3899 1 8 . 1 1 35 35 ASP N N 35 118.304 118.304 122.022 -3.718 19783 3900 1 8 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.439 -0.074 19783 3901 1 8 . 1 1 35 35 ASP C C 35 175.018 175.018 174.535 0.483 19783 3902 1 8 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.813 0.988 19783 3903 1 8 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.741 -0.384 19783 3904 1 8 . 1 1 35 35 ASP H H 35 8.672 8.672 8.764 -0.092 19783 3905 1 8 . 1 1 36 36 LEU N N 36 117.764 117.764 118.463 -0.699 19783 3906 1 8 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.463 0.061 19783 3907 1 8 . 1 1 36 36 LEU C C 36 177.157 177.157 175.840 1.317 19783 3908 1 8 . 1 1 36 36 LEU CA C 36 55.171 55.171 54.425 0.746 19783 3909 1 8 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.078 0.205 19783 3910 1 8 . 1 1 36 36 LEU H H 36 7.357 7.357 7.639 -0.282 19783 3911 1 8 . 1 1 37 37 GLU N N 37 120.855 120.855 121.692 -0.837 19783 3912 1 8 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.433 0.029 19783 3913 1 8 . 1 1 37 37 GLU C C 37 176.584 176.584 174.764 1.820 19783 3914 1 8 . 1 1 37 37 GLU CA C 37 57.020 57.020 55.938 1.082 19783 3915 1 8 . 1 1 37 37 GLU CB C 37 32.512 32.512 30.430 2.083 19783 3916 1 8 . 1 1 37 37 GLU H H 37 9.557 9.557 8.553 1.004 19783 3917 1 8 . 1 1 38 38 ASN N N 38 122.459 122.459 123.093 -0.634 19783 3918 1 8 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.953 -0.019 19783 3919 1 8 . 1 1 38 38 ASN C C 38 174.192 174.192 173.003 1.189 19783 3920 1 8 . 1 1 38 38 ASN CA C 38 52.794 52.794 52.862 -0.068 19783 3921 1 8 . 1 1 38 38 ASN CB C 38 40.087 40.087 41.963 -1.876 19783 3922 1 8 . 1 1 38 38 ASN H H 38 9.124 9.124 9.710 -0.586 19783 3923 1 8 . 1 1 39 39 ILE N N 39 119.708 119.708 123.427 -3.719 19783 3924 1 8 . 1 1 39 39 ILE HA H 39 4.160 4.160 5.023 -0.863 19783 3925 1 8 . 1 1 39 39 ILE C C 39 176.416 176.416 175.584 0.832 19783 3926 1 8 . 1 1 39 39 ILE CA C 39 62.166 62.166 59.055 3.111 19783 3927 1 8 . 1 1 39 39 ILE CB C 39 38.218 38.218 38.319 -0.101 19783 3928 1 8 . 1 1 39 39 ILE H H 39 7.252 7.252 8.428 -1.176 19783 3929 1 8 . 1 1 40 40 LYS N N 40 128.321 128.321 129.521 -1.200 19783 3930 1 8 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.758 -0.355 19783 3931 1 8 . 1 1 40 40 LYS C C 40 173.755 173.755 174.402 -0.647 19783 3932 1 8 . 1 1 40 40 LYS CA C 40 55.056 55.056 54.766 0.290 19783 3933 1 8 . 1 1 40 40 LYS CB C 40 36.010 36.010 34.080 1.930 19783 3934 1 8 . 1 1 40 40 LYS H H 40 8.760 8.760 8.672 0.088 19783 3935 1 8 . 1 1 41 41 VAL N N 41 121.679 121.679 126.773 -5.094 19783 3936 1 8 . 1 1 41 41 VAL HA H 41 4.760 4.760 4.961 -0.201 19783 3937 1 8 . 1 1 41 41 VAL C C 41 175.405 175.405 175.310 0.095 19783 3938 1 8 . 1 1 41 41 VAL CA C 41 60.873 60.873 61.447 -0.573 19783 3939 1 8 . 1 1 41 41 VAL CB C 41 33.886 33.886 33.689 0.197 19783 3940 1 8 . 1 1 41 41 VAL H H 41 7.902 7.902 8.508 -0.606 19783 3941 1 8 . 1 1 42 42 PHE N N 42 126.800 126.800 126.149 0.651 19783 3942 1 8 . 1 1 42 42 PHE HA H 42 4.869 4.869 4.998 -0.129 19783 3943 1 8 . 1 1 42 42 PHE C C 42 172.340 172.340 173.757 -1.417 19783 3944 1 8 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.694 -0.604 19783 3945 1 8 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.465 -1.475 19783 3946 1 8 . 1 1 42 42 PHE H H 42 9.352 9.352 9.254 0.098 19783 3947 1 8 . 1 1 43 43 TRP N N 43 119.314 119.314 124.545 -5.231 19783 3948 1 8 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.343 0.392 19783 3949 1 8 . 1 1 43 43 TRP C C 43 177.393 177.393 174.049 3.344 19783 3950 1 8 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.403 0.493 19783 3951 1 8 . 1 1 43 43 TRP CB C 43 32.055 32.055 33.259 -1.204 19783 3952 1 8 . 1 1 43 43 TRP H H 43 8.847 8.847 8.040 0.807 19783 3953 1 8 . 1 1 44 44 GLN N N 44 118.782 118.782 119.456 -0.674 19783 3954 1 8 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.798 0.206 19783 3955 1 8 . 1 1 44 44 GLN C C 44 175.035 175.035 174.296 0.739 19783 3956 1 8 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.244 -0.081 19783 3957 1 8 . 1 1 44 44 GLN CB C 44 33.065 33.065 32.312 0.753 19783 3958 1 8 . 1 1 44 44 GLN H H 44 9.376 9.376 8.913 0.463 19783 3959 1 8 . 1 1 45 45 VAL N N 45 121.659 121.659 124.825 -3.166 19783 3960 1 8 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.653 -0.247 19783 3961 1 8 . 1 1 45 45 VAL C C 45 176.921 176.921 176.052 0.869 19783 3962 1 8 . 1 1 45 45 VAL CA C 45 61.827 61.827 59.538 2.288 19783 3963 1 8 . 1 1 45 45 VAL CB C 45 34.260 34.260 30.613 3.647 19783 3964 1 8 . 1 1 45 45 VAL H H 45 8.796 8.796 8.854 -0.058 19783 3965 1 8 . 1 1 46 46 ASN N N 46 128.796 128.796 128.971 -0.175 19783 3966 1 8 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.342 0.041 19783 3967 1 8 . 1 1 46 46 ASN C C 46 175.523 175.523 175.352 0.171 19783 3968 1 8 . 1 1 46 46 ASN CA C 46 54.279 54.279 54.233 0.045 19783 3969 1 8 . 1 1 46 46 ASN CB C 46 37.485 37.485 37.280 0.205 19783 3970 1 8 . 1 1 46 46 ASN H H 46 9.628 9.628 8.898 0.730 19783 3971 1 8 . 1 1 47 47 GLY N N 47 102.032 102.032 102.297 -0.265 19783 3972 1 8 . 1 1 47 47 GLY C C 47 173.519 173.519 174.410 -0.891 19783 3973 1 8 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.313 0.160 19783 3974 1 8 . 1 1 47 47 GLY H H 47 8.820 8.820 8.479 0.341 19783 3975 1 8 . 1 1 48 48 VAL N N 48 120.265 120.265 122.596 -2.331 19783 3976 1 8 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.338 -0.083 19783 3977 1 8 . 1 1 48 48 VAL C C 48 175.691 175.691 174.827 0.864 19783 3978 1 8 . 1 1 48 48 VAL CA C 48 61.080 61.080 60.224 0.856 19783 3979 1 8 . 1 1 48 48 VAL CB C 48 34.420 34.420 34.087 0.333 19783 3980 1 8 . 1 1 48 48 VAL H H 48 7.529 7.529 7.449 0.080 19783 3981 1 8 . 1 1 49 49 GLU N N 49 128.059 128.059 127.537 0.522 19783 3982 1 8 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.325 0.412 19783 3983 1 8 . 1 1 49 49 GLU C C 49 175.927 175.927 176.313 -0.386 19783 3984 1 8 . 1 1 49 49 GLU CA C 49 57.835 57.835 57.858 -0.023 19783 3985 1 8 . 1 1 49 49 GLU CB C 49 29.551 29.551 30.479 -0.928 19783 3986 1 8 . 1 1 49 49 GLU H H 49 8.851 8.851 8.863 -0.012 19783 3987 1 8 . 1 1 50 50 ARG N N 50 128.391 128.391 125.530 2.861 19783 3988 1 8 . 1 1 50 50 ARG CA C 50 54.280 54.280 55.400 -1.119 19783 3989 1 8 . 1 1 50 50 ARG CB C 50 32.304 32.304 30.568 1.736 19783 3990 1 8 . 1 1 50 50 ARG H H 50 8.704 8.704 7.877 0.827 19783 3991 1 8 . 1 1 51 51 LYS N N 51 124.441 124.441 126.579 -2.138 19783 3992 1 8 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.302 0.227 19783 3993 1 8 . 1 1 51 51 LYS CA C 51 56.868 56.868 56.165 0.703 19783 3994 1 8 . 1 1 51 51 LYS CB C 51 34.604 34.604 32.933 1.671 19783 3995 1 8 . 1 1 51 51 LYS H H 51 8.772 8.772 8.450 0.322 19783 3996 1 8 . 1 1 52 52 LYS N N 52 122.374 122.374 119.926 2.448 19783 3997 1 8 . 1 1 52 52 LYS HA H 52 4.197 4.197 4.019 0.178 19783 3998 1 8 . 1 1 52 52 LYS C C 52 176.921 176.921 177.926 -1.005 19783 3999 1 8 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.331 0.148 19783 4000 1 8 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.480 0.562 19783 4001 1 8 . 1 1 52 52 LYS H H 52 7.752 7.752 8.315 -0.563 19783 4002 1 8 . 1 1 53 53 GLY N N 53 112.970 112.970 106.144 6.826 19783 4003 1 8 . 1 1 53 53 GLY C C 53 173.872 173.872 173.199 0.673 19783 4004 1 8 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.871 0.785 19783 4005 1 8 . 1 1 53 53 GLY H H 53 8.832 8.832 8.520 0.312 19783 4006 1 8 . 1 1 54 54 VAL N N 54 120.474 120.474 122.221 -1.747 19783 4007 1 8 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.580 -0.097 19783 4008 1 8 . 1 1 54 54 VAL C C 54 176.870 176.870 174.909 1.961 19783 4009 1 8 . 1 1 54 54 VAL CA C 54 62.101 62.101 61.008 1.093 19783 4010 1 8 . 1 1 54 54 VAL CB C 54 33.587 33.587 32.451 1.136 19783 4011 1 8 . 1 1 54 54 VAL H H 54 7.004 7.004 7.563 -0.559 19783 4012 1 8 . 1 1 55 55 GLU N N 55 129.276 129.276 129.795 -0.519 19783 4013 1 8 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.712 0.005 19783 4014 1 8 . 1 1 55 55 GLU C C 55 175.068 175.068 175.134 -0.066 19783 4015 1 8 . 1 1 55 55 GLU CA C 55 55.831 55.831 55.026 0.805 19783 4016 1 8 . 1 1 55 55 GLU CB C 55 32.917 32.917 32.850 0.067 19783 4017 1 8 . 1 1 55 55 GLU H H 55 9.091 9.091 9.095 -0.004 19783 4018 1 8 . 1 1 56 56 THR N N 56 126.675 126.675 120.945 5.730 19783 4019 1 8 . 1 1 56 56 THR HA H 56 4.881 4.881 4.565 0.316 19783 4020 1 8 . 1 1 56 56 THR CA C 56 62.268 62.268 63.027 -0.759 19783 4021 1 8 . 1 1 56 56 THR CB C 56 69.679 69.679 69.699 -0.020 19783 4022 1 8 . 1 1 56 56 THR H H 56 9.162 9.162 8.605 0.557 19783 4023 1 8 . 1 1 57 57 GLN N N 57 127.368 127.368 124.902 2.466 19783 4024 1 8 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.656 -0.267 19783 4025 1 8 . 1 1 57 57 GLN C C 57 175.254 175.254 175.219 0.035 19783 4026 1 8 . 1 1 57 57 GLN CA C 57 55.285 55.285 54.312 0.973 19783 4027 1 8 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.943 -0.438 19783 4028 1 8 . 1 1 57 57 GLN H H 57 8.638 8.638 8.669 -0.031 19783 4029 1 8 . 1 1 58 58 ASN N N 58 118.031 118.031 118.711 -0.680 19783 4030 1 8 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.952 -0.112 19783 4031 1 8 . 1 1 58 58 ASN CA C 58 52.081 52.081 51.872 0.209 19783 4032 1 8 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.032 -0.739 19783 4033 1 8 . 1 1 58 58 ASN H H 58 8.398 8.398 8.508 -0.110 19783 4034 1 8 . 1 1 59 59 PRO HA H 59 4.615 4.615 5.102 -0.487 19783 4035 1 8 . 1 1 59 59 PRO CA C 59 63.453 63.453 62.862 0.591 19783 4036 1 8 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.744 -0.482 19783 4037 1 8 . 1 1 60 60 GLU N N 60 122.445 122.445 121.513 0.932 19783 4038 1 8 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.559 0.079 19783 4039 1 8 . 1 1 60 60 GLU C C 60 175.574 175.574 174.638 0.936 19783 4040 1 8 . 1 1 60 60 GLU CA C 60 54.797 54.797 56.447 -1.650 19783 4041 1 8 . 1 1 60 60 GLU CB C 60 32.614 32.614 31.941 0.673 19783 4042 1 8 . 1 1 60 60 GLU H H 60 8.704 8.704 8.553 0.151 19783 4043 1 8 . 1 1 61 61 TRP N N 61 125.833 125.833 125.515 0.318 19783 4044 1 8 . 1 1 61 61 TRP HA H 61 5.060 5.060 4.849 0.211 19783 4045 1 8 . 1 1 61 61 TRP C C 61 176.651 176.651 175.014 1.637 19783 4046 1 8 . 1 1 61 61 TRP CA C 61 57.163 57.163 56.402 0.761 19783 4047 1 8 . 1 1 61 61 TRP CB C 61 30.886 30.886 32.911 -2.025 19783 4048 1 8 . 1 1 61 61 TRP H H 61 8.817 8.817 8.311 0.506 19783 4049 1 8 . 1 1 62 62 SER N N 62 120.682 120.682 116.013 4.669 19783 4050 1 8 . 1 1 62 62 SER HA H 62 4.424 4.424 4.175 0.249 19783 4051 1 8 . 1 1 62 62 SER C C 62 174.614 174.614 176.215 -1.601 19783 4052 1 8 . 1 1 62 62 SER CA C 62 57.422 57.422 58.079 -0.657 19783 4053 1 8 . 1 1 62 62 SER CB C 62 64.113 64.113 64.041 0.072 19783 4054 1 8 . 1 1 62 62 SER H H 62 8.551 8.551 7.480 1.071 19783 4055 1 8 . 1 1 63 63 GLY N N 63 112.655 112.655 110.816 1.839 19783 4056 1 8 . 1 1 63 63 GLY CA C 63 46.488 46.488 45.882 0.606 19783 4057 1 8 . 1 1 63 63 GLY H H 63 6.895 6.895 8.711 -1.816 19783 4058 1 8 . 1 1 64 64 SER HA H 64 4.347 4.347 4.455 -0.108 19783 4059 1 8 . 1 1 64 64 SER CA C 64 59.027 59.027 59.473 -0.446 19783 4060 1 8 . 1 1 64 64 SER CB C 64 63.975 63.975 64.406 -0.431 19783 4061 1 8 . 1 1 65 65 LYS N N 65 120.463 120.463 121.168 -0.705 19783 4062 1 8 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.783 -0.300 19783 4063 1 8 . 1 1 65 65 LYS C C 65 174.816 174.816 175.234 -0.418 19783 4064 1 8 . 1 1 65 65 LYS CA C 65 54.862 54.862 55.620 -0.758 19783 4065 1 8 . 1 1 65 65 LYS CB C 65 35.788 35.788 37.144 -1.356 19783 4066 1 8 . 1 1 65 65 LYS H H 65 7.441 7.441 8.126 -0.685 19783 4067 1 8 . 1 1 66 66 SER N N 66 117.984 117.984 116.192 1.792 19783 4068 1 8 . 1 1 66 66 SER HA H 66 4.999 4.999 4.947 0.052 19783 4069 1 8 . 1 1 66 66 SER C C 66 172.205 172.205 173.278 -1.073 19783 4070 1 8 . 1 1 66 66 SER CA C 66 57.739 57.739 56.847 0.892 19783 4071 1 8 . 1 1 66 66 SER CB C 66 64.876 64.876 66.219 -1.343 19783 4072 1 8 . 1 1 66 66 SER H H 66 8.522 8.522 9.194 -0.672 19783 4073 1 8 . 1 1 67 67 THR N N 67 115.663 115.663 119.319 -3.656 19783 4074 1 8 . 1 1 67 67 THR HA H 67 5.608 5.608 4.618 0.990 19783 4075 1 8 . 1 1 67 67 THR C C 67 175.102 175.102 172.989 2.113 19783 4076 1 8 . 1 1 67 67 THR CA C 67 60.739 60.739 61.978 -1.239 19783 4077 1 8 . 1 1 67 67 THR CB C 67 72.013 72.013 70.858 1.155 19783 4078 1 8 . 1 1 67 67 THR H H 67 8.354 8.354 8.744 -0.390 19783 4079 1 8 . 1 1 68 68 ILE N N 68 127.394 127.394 128.837 -1.443 19783 4080 1 8 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.512 -0.209 19783 4081 1 8 . 1 1 68 68 ILE C C 68 173.519 173.519 173.928 -0.409 19783 4082 1 8 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.510 1.766 19783 4083 1 8 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.068 2.059 19783 4084 1 8 . 1 1 68 68 ILE H H 68 9.529 9.529 9.108 0.421 19783 4085 1 8 . 1 1 69 69 VAL N N 69 125.903 125.903 128.207 -2.304 19783 4086 1 8 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.758 0.099 19783 4087 1 8 . 1 1 69 69 VAL C C 69 174.917 174.917 174.136 0.781 19783 4088 1 8 . 1 1 69 69 VAL CA C 69 61.241 61.241 60.159 1.082 19783 4089 1 8 . 1 1 69 69 VAL CB C 69 34.136 34.136 33.658 0.478 19783 4090 1 8 . 1 1 69 69 VAL H H 69 7.253 7.253 8.759 -1.506 19783 4091 1 8 . 1 1 70 70 SER N N 70 121.681 121.681 125.112 -3.431 19783 4092 1 8 . 1 1 70 70 SER HA H 70 5.397 5.397 5.174 0.223 19783 4093 1 8 . 1 1 70 70 SER C C 70 173.047 173.047 172.693 0.354 19783 4094 1 8 . 1 1 70 70 SER CA C 70 56.407 56.407 57.189 -0.782 19783 4095 1 8 . 1 1 70 70 SER CB C 70 64.832 64.832 65.253 -0.421 19783 4096 1 8 . 1 1 70 70 SER H H 70 9.302 9.302 9.283 0.019 19783 4097 1 8 . 1 1 71 71 LYS N N 71 127.421 127.421 128.757 -1.336 19783 4098 1 8 . 1 1 71 71 LYS HA H 71 5.360 5.360 4.942 0.418 19783 4099 1 8 . 1 1 71 71 LYS C C 71 173.603 173.603 173.920 -0.317 19783 4100 1 8 . 1 1 71 71 LYS CA C 71 54.771 54.771 54.991 -0.220 19783 4101 1 8 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.960 0.148 19783 4102 1 8 . 1 1 71 71 LYS H H 71 9.029 9.029 9.133 -0.104 19783 4103 1 8 . 1 1 72 72 LEU N N 72 124.252 124.252 126.518 -2.266 19783 4104 1 8 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.566 -0.284 19783 4105 1 8 . 1 1 72 72 LEU C C 72 174.075 174.075 174.783 -0.708 19783 4106 1 8 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.321 0.679 19783 4107 1 8 . 1 1 72 72 LEU CB C 72 41.516 41.516 44.609 -3.093 19783 4108 1 8 . 1 1 72 72 LEU H H 72 8.407 8.407 8.953 -0.546 19783 4109 1 8 . 1 1 73 73 LYS N N 73 128.141 128.141 126.925 1.216 19783 4110 1 8 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.718 0.060 19783 4111 1 8 . 1 1 73 73 LYS C C 73 176.331 176.331 175.536 0.795 19783 4112 1 8 . 1 1 73 73 LYS CA C 73 55.250 55.250 54.911 0.339 19783 4113 1 8 . 1 1 73 73 LYS CB C 73 33.333 33.333 31.790 1.544 19783 4114 1 8 . 1 1 73 73 LYS H H 73 8.090 8.090 8.754 -0.664 19783 4115 1 8 . 1 1 74 74 VAL N N 74 121.453 121.453 124.766 -3.313 19783 4116 1 8 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.398 0.234 19783 4117 1 8 . 1 1 74 74 VAL C C 74 175.590 175.590 173.574 2.016 19783 4118 1 8 . 1 1 74 74 VAL CA C 74 58.455 58.455 60.389 -1.934 19783 4119 1 8 . 1 1 74 74 VAL CB C 74 35.744 35.744 36.426 -0.682 19783 4120 1 8 . 1 1 74 74 VAL H H 74 8.730 8.730 8.278 0.452 19783 4121 1 8 . 1 1 75 75 MET N N 75 119.151 119.151 123.500 -4.349 19783 4122 1 8 . 1 1 75 75 MET HA H 75 4.560 4.560 4.985 -0.425 19783 4123 1 8 . 1 1 75 75 MET CA C 75 55.753 55.753 52.999 2.754 19783 4124 1 8 . 1 1 75 75 MET CB C 75 32.563 32.563 33.300 -0.737 19783 4125 1 8 . 1 1 75 75 MET H H 75 8.724 8.724 9.576 -0.852 19783 4126 1 8 . 1 1 76 76 ALA N N 76 127.351 127.351 129.128 -1.777 19783 4127 1 8 . 1 1 76 76 ALA HA H 76 3.742 3.742 3.990 -0.248 19783 4128 1 8 . 1 1 76 76 ALA C C 76 178.487 178.487 179.127 -0.640 19783 4129 1 8 . 1 1 76 76 ALA CA C 76 55.953 55.953 56.348 -0.395 19783 4130 1 8 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.322 -0.328 19783 4131 1 8 . 1 1 76 76 ALA H H 76 8.460 8.460 8.332 0.128 19783 4132 1 8 . 1 1 77 77 SER N N 77 110.202 110.202 115.147 -4.945 19783 4133 1 8 . 1 1 77 77 SER HA H 77 4.149 4.149 4.066 0.083 19783 4134 1 8 . 1 1 77 77 SER C C 77 176.550 176.550 177.017 -0.467 19783 4135 1 8 . 1 1 77 77 SER CA C 77 60.894 60.894 61.898 -1.004 19783 4136 1 8 . 1 1 77 77 SER CB C 77 61.996 61.996 62.655 -0.659 19783 4137 1 8 . 1 1 77 77 SER H H 77 8.460 8.460 8.545 -0.085 19783 4138 1 8 . 1 1 78 78 GLU N N 78 124.828 124.828 123.218 1.610 19783 4139 1 8 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.092 0.058 19783 4140 1 8 . 1 1 78 78 GLU C C 78 179.599 179.599 178.415 1.184 19783 4141 1 8 . 1 1 78 78 GLU CA C 78 59.118 59.118 59.303 -0.185 19783 4142 1 8 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.462 1.909 19783 4143 1 8 . 1 1 78 78 GLU H H 78 7.336 7.336 7.792 -0.456 19783 4144 1 8 . 1 1 79 79 TRP N N 79 123.252 123.252 121.701 1.551 19783 4145 1 8 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.351 0.283 19783 4146 1 8 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.511 1.283 19783 4147 1 8 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.751 -0.283 19783 4148 1 8 . 1 1 79 79 TRP H H 79 7.469 7.469 8.324 -0.855 19783 4149 1 8 . 1 1 80 80 ASP N N 80 116.114 116.114 117.964 -1.850 19783 4150 1 8 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.253 0.040 19783 4151 1 8 . 1 1 80 80 ASP C C 80 177.174 177.174 177.310 -0.136 19783 4152 1 8 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.116 0.491 19783 4153 1 8 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.722 0.612 19783 4154 1 8 . 1 1 80 80 ASP H H 80 8.816 8.816 8.734 0.082 19783 4155 1 8 . 1 1 81 81 SER N N 81 112.692 112.692 112.503 0.189 19783 4156 1 8 . 1 1 81 81 SER HA H 81 4.338 4.338 4.387 -0.049 19783 4157 1 8 . 1 1 81 81 SER C C 81 175.203 175.203 174.811 0.392 19783 4158 1 8 . 1 1 81 81 SER CA C 81 59.645 59.645 58.706 0.939 19783 4159 1 8 . 1 1 81 81 SER CB C 81 64.055 64.055 63.635 0.420 19783 4160 1 8 . 1 1 81 81 SER H H 81 7.393 7.393 7.471 -0.078 19783 4161 1 8 . 1 1 82 82 GLY N N 82 108.811 108.811 110.288 -1.477 19783 4162 1 8 . 1 1 82 82 GLY C C 82 173.687 173.687 174.379 -0.692 19783 4163 1 8 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.582 0.638 19783 4164 1 8 . 1 1 82 82 GLY H H 82 7.587 7.587 7.646 -0.059 19783 4165 1 8 . 1 1 83 83 THR N N 83 116.253 116.253 115.924 0.329 19783 4166 1 8 . 1 1 83 83 THR HA H 83 3.668 3.668 4.248 -0.580 19783 4167 1 8 . 1 1 83 83 THR C C 83 170.908 170.908 174.846 -3.938 19783 4168 1 8 . 1 1 83 83 THR CA C 83 63.674 63.674 63.750 -0.076 19783 4169 1 8 . 1 1 83 83 THR CB C 83 70.037 70.037 69.906 0.131 19783 4170 1 8 . 1 1 83 83 THR H H 83 6.788 6.788 7.421 -0.633 19783 4171 1 8 . 1 1 84 84 GLU N N 84 124.967 124.967 127.787 -2.820 19783 4172 1 8 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.509 0.168 19783 4173 1 8 . 1 1 84 84 GLU C C 84 174.462 174.462 175.627 -1.165 19783 4174 1 8 . 1 1 84 84 GLU CA C 84 55.508 55.508 56.760 -1.252 19783 4175 1 8 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.413 1.631 19783 4176 1 8 . 1 1 84 84 GLU H H 84 8.006 8.006 8.292 -0.286 19783 4177 1 8 . 1 1 85 85 TYR N N 85 127.327 127.327 124.551 2.776 19783 4178 1 8 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.461 -0.512 19783 4179 1 8 . 1 1 85 85 TYR C C 85 174.563 174.563 174.562 0.001 19783 4180 1 8 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.144 1.305 19783 4181 1 8 . 1 1 85 85 TYR CB C 85 41.291 41.291 41.472 -0.181 19783 4182 1 8 . 1 1 85 85 TYR H H 85 8.993 8.993 8.207 0.786 19783 4183 1 8 . 1 1 86 86 VAL N N 86 121.985 121.985 123.366 -1.381 19783 4184 1 8 . 1 1 86 86 VAL HA H 86 4.884 4.884 5.155 -0.271 19783 4185 1 8 . 1 1 86 86 VAL C C 86 173.822 173.822 174.641 -0.819 19783 4186 1 8 . 1 1 86 86 VAL CA C 86 60.701 60.701 59.793 0.908 19783 4187 1 8 . 1 1 86 86 VAL CB C 86 35.536 35.536 34.845 0.691 19783 4188 1 8 . 1 1 86 86 VAL H H 86 8.873 8.873 8.514 0.359 19783 4189 1 8 . 1 1 87 87 CYS N N 87 127.376 127.376 124.096 3.280 19783 4190 1 8 . 1 1 87 87 CYS HA H 87 3.909 3.909 5.119 -1.210 19783 4191 1 8 . 1 1 87 87 CYS C C 87 171.211 171.211 173.689 -2.478 19783 4192 1 8 . 1 1 87 87 CYS CA C 87 52.879 52.879 54.888 -2.009 19783 4193 1 8 . 1 1 87 87 CYS CB C 87 44.008 44.008 28.454 15.554 19783 4194 1 8 . 1 1 87 87 CYS H H 87 8.312 8.312 9.030 -0.718 19783 4195 1 8 . 1 1 88 88 LEU N N 88 127.118 127.118 124.141 2.977 19783 4196 1 8 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.692 -0.746 19783 4197 1 8 . 1 1 88 88 LEU C C 88 173.957 173.957 175.456 -1.499 19783 4198 1 8 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.620 0.884 19783 4199 1 8 . 1 1 88 88 LEU CB C 88 45.537 45.537 46.239 -0.702 19783 4200 1 8 . 1 1 88 88 LEU H H 88 8.837 8.837 8.988 -0.151 19783 4201 1 8 . 1 1 89 89 VAL N N 89 120.421 120.421 121.210 -0.789 19783 4202 1 8 . 1 1 89 89 VAL HA H 89 4.864 4.864 5.149 -0.285 19783 4203 1 8 . 1 1 89 89 VAL C C 89 174.580 174.580 174.190 0.390 19783 4204 1 8 . 1 1 89 89 VAL CA C 89 60.421 60.421 59.845 0.576 19783 4205 1 8 . 1 1 89 89 VAL CB C 89 34.505 34.505 35.556 -1.052 19783 4206 1 8 . 1 1 89 89 VAL H H 89 8.687 8.687 8.674 0.013 19783 4207 1 8 . 1 1 90 90 GLU N N 90 122.482 122.482 128.610 -6.128 19783 4208 1 8 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.695 0.128 19783 4209 1 8 . 1 1 90 90 GLU C C 90 174.664 174.664 174.187 0.477 19783 4210 1 8 . 1 1 90 90 GLU CA C 90 54.202 54.202 55.053 -0.851 19783 4211 1 8 . 1 1 90 90 GLU CB C 90 34.685 34.685 32.897 1.788 19783 4212 1 8 . 1 1 90 90 GLU H H 90 8.551 8.551 9.028 -0.477 19783 4213 1 8 . 1 1 91 91 ASP N N 91 119.348 119.348 120.351 -1.003 19783 4214 1 8 . 1 1 91 91 ASP HA H 91 4.744 4.744 5.479 -0.735 19783 4215 1 8 . 1 1 91 91 ASP C C 91 176.921 176.921 176.916 0.005 19783 4216 1 8 . 1 1 91 91 ASP CA C 91 54.603 54.603 51.980 2.623 19783 4217 1 8 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.791 3.767 19783 4218 1 8 . 1 1 91 91 ASP H H 91 7.980 7.980 8.443 -0.463 19783 4219 1 8 . 1 1 92 92 SER N N 92 121.504 121.504 118.642 2.862 19783 4220 1 8 . 1 1 92 92 SER HA H 92 4.158 4.158 4.232 -0.074 19783 4221 1 8 . 1 1 92 92 SER C C 92 175.574 175.574 175.275 0.299 19783 4222 1 8 . 1 1 92 92 SER CA C 92 61.803 61.803 60.989 0.814 19783 4223 1 8 . 1 1 92 92 SER CB C 92 62.911 62.911 63.194 -0.283 19783 4224 1 8 . 1 1 92 92 SER H H 92 7.973 7.973 8.837 -0.864 19783 4225 1 8 . 1 1 93 93 GLU N N 93 121.008 121.008 118.829 2.179 19783 4226 1 8 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.403 -0.114 19783 4227 1 8 . 1 1 93 93 GLU C C 93 176.517 176.517 176.292 0.225 19783 4228 1 8 . 1 1 93 93 GLU CA C 93 56.610 56.610 55.695 0.915 19783 4229 1 8 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.437 -0.462 19783 4230 1 8 . 1 1 93 93 GLU H H 93 9.782 9.782 8.841 0.941 19783 4231 1 8 . 1 1 94 94 LEU N N 94 121.375 121.375 118.644 2.731 19783 4232 1 8 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.845 -0.060 19783 4233 1 8 . 1 1 94 94 LEU CA C 94 51.759 51.759 51.579 0.180 19783 4234 1 8 . 1 1 94 94 LEU CB C 94 42.854 42.854 41.585 1.269 19783 4235 1 8 . 1 1 94 94 LEU H H 94 7.802 7.802 7.477 0.325 19783 4236 1 8 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.560 -0.276 19783 4237 1 8 . 1 1 95 95 PRO CA C 95 64.807 64.807 64.098 0.709 19783 4238 1 8 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.210 0.090 19783 4239 1 8 . 1 1 96 96 THR N N 96 109.657 109.657 110.474 -0.817 19783 4240 1 8 . 1 1 96 96 THR HA H 96 4.499 4.499 4.657 -0.158 19783 4241 1 8 . 1 1 96 96 THR CA C 96 58.673 58.673 58.323 0.350 19783 4242 1 8 . 1 1 96 96 THR CB C 96 70.994 70.994 70.401 0.593 19783 4243 1 8 . 1 1 96 96 THR H H 96 7.094 7.094 7.591 -0.497 19783 4244 1 8 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.367 0.379 19783 4245 1 8 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.712 0.582 19783 4246 1 8 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.157 0.812 19783 4247 1 8 . 1 1 98 98 VAL N N 98 122.997 122.997 116.332 6.665 19783 4248 1 8 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.706 -0.498 19783 4249 1 8 . 1 1 98 98 VAL C C 98 173.923 173.923 174.338 -0.415 19783 4250 1 8 . 1 1 98 98 VAL CA C 98 61.972 61.972 59.792 2.180 19783 4251 1 8 . 1 1 98 98 VAL CB C 98 33.468 33.468 35.581 -2.113 19783 4252 1 8 . 1 1 98 98 VAL H H 98 8.358 8.358 8.048 0.310 19783 4253 1 8 . 1 1 99 99 LYS N N 99 122.194 122.194 120.452 1.742 19783 4254 1 8 . 1 1 99 99 LYS HA H 99 5.482 5.482 5.655 -0.173 19783 4255 1 8 . 1 1 99 99 LYS C C 99 174.984 174.984 174.900 0.084 19783 4256 1 8 . 1 1 99 99 LYS CA C 99 54.322 54.322 53.959 0.363 19783 4257 1 8 . 1 1 99 99 LYS CB C 99 37.320 37.320 36.439 0.881 19783 4258 1 8 . 1 1 99 99 LYS H H 99 8.340 8.340 8.295 0.045 19783 4259 1 8 . 1 1 100 100 ALA N N 100 123.875 123.875 121.931 1.944 19783 4260 1 8 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.665 -0.027 19783 4261 1 8 . 1 1 100 100 ALA C C 100 174.243 174.243 174.495 -0.252 19783 4262 1 8 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.761 -0.369 19783 4263 1 8 . 1 1 100 100 ALA CB C 100 23.012 23.012 22.034 0.978 19783 4264 1 8 . 1 1 100 100 ALA H H 100 8.600 8.600 8.566 0.034 19783 4265 1 8 . 1 1 101 101 SER N N 101 114.189 114.189 116.488 -2.299 19783 4266 1 8 . 1 1 101 101 SER HA H 101 5.761 5.761 5.787 -0.026 19783 4267 1 8 . 1 1 101 101 SER C C 101 173.519 173.519 173.875 -0.356 19783 4268 1 8 . 1 1 101 101 SER CA C 101 56.346 56.346 56.245 0.102 19783 4269 1 8 . 1 1 101 101 SER CB C 101 67.504 67.504 65.435 2.069 19783 4270 1 8 . 1 1 101 101 SER H H 101 8.367 8.367 8.385 -0.018 19783 4271 1 8 . 1 1 102 102 ILE N N 102 121.742 121.742 125.034 -3.292 19783 4272 1 8 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.564 0.214 19783 4273 1 8 . 1 1 102 102 ILE C C 102 170.824 170.824 174.062 -3.238 19783 4274 1 8 . 1 1 102 102 ILE CA C 102 61.198 61.198 60.256 0.942 19783 4275 1 8 . 1 1 102 102 ILE CB C 102 41.820 41.820 42.234 -0.414 19783 4276 1 8 . 1 1 102 102 ILE H H 102 9.317 9.317 9.098 0.219 19783 4277 1 8 . 1 1 103 103 ARG N N 103 120.111 120.111 126.970 -6.859 19783 4278 1 8 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.655 -0.074 19783 4279 1 8 . 1 1 103 103 ARG C C 103 174.411 174.411 175.029 -0.618 19783 4280 1 8 . 1 1 103 103 ARG CA C 103 54.474 54.474 54.039 0.435 19783 4281 1 8 . 1 1 103 103 ARG CB C 103 34.589 34.589 32.914 1.675 19783 4282 1 8 . 1 1 103 103 ARG H H 103 7.525 7.525 8.627 -1.102 19783 4283 1 8 . 1 1 104 104 LYS N N 104 126.177 126.177 124.019 2.158 19783 4284 1 8 . 1 1 104 104 LYS HA H 104 3.614 3.614 3.540 0.074 19783 4285 1 8 . 1 1 104 104 LYS C C 104 175.287 175.287 175.289 -0.002 19783 4286 1 8 . 1 1 104 104 LYS CA C 104 58.288 58.288 56.676 1.612 19783 4287 1 8 . 1 1 104 104 LYS CB C 104 32.169 32.169 31.244 0.924 19783 4288 1 8 . 1 1 104 104 LYS H H 104 9.077 9.077 8.267 0.810 19783 4289 1 9 . 1 1 2 2 GLY CA C 2 43.533 43.533 44.627 -1.094 19783 4290 1 9 . 1 1 3 3 ARG HA H 3 4.368 4.368 4.394 -0.026 19783 4291 1 9 . 1 1 3 3 ARG CA C 3 56.394 56.394 56.268 0.126 19783 4292 1 9 . 1 1 3 3 ARG CB C 3 31.358 31.358 30.975 0.383 19783 4293 1 9 . 1 1 4 4 GLN N N 4 122.771 122.771 119.038 3.733 19783 4294 1 9 . 1 1 4 4 GLN HA H 4 4.393 4.393 4.415 -0.022 19783 4295 1 9 . 1 1 4 4 GLN C C 4 175.843 175.843 175.566 0.277 19783 4296 1 9 . 1 1 4 4 GLN CA C 4 56.155 56.155 56.251 -0.096 19783 4297 1 9 . 1 1 4 4 GLN CB C 4 29.413 29.413 29.193 0.220 19783 4298 1 9 . 1 1 4 4 GLN H H 4 8.899 8.899 8.275 0.624 19783 4299 1 9 . 1 1 5 5 THR N N 5 115.866 115.866 116.527 -0.661 19783 4300 1 9 . 1 1 5 5 THR HA H 5 4.276 4.276 4.367 -0.091 19783 4301 1 9 . 1 1 5 5 THR C C 5 173.957 173.957 173.570 0.387 19783 4302 1 9 . 1 1 5 5 THR CA C 5 62.295 62.295 60.966 1.329 19783 4303 1 9 . 1 1 5 5 THR CB C 5 69.957 69.957 69.896 0.061 19783 4304 1 9 . 1 1 5 5 THR H H 5 8.063 8.063 7.625 0.438 19783 4305 1 9 . 1 1 6 6 ASP N N 6 124.653 124.653 125.872 -1.219 19783 4306 1 9 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.737 0.013 19783 4307 1 9 . 1 1 6 6 ASP C C 6 174.159 174.159 174.549 -0.390 19783 4308 1 9 . 1 1 6 6 ASP CA C 6 54.022 54.022 53.152 0.870 19783 4309 1 9 . 1 1 6 6 ASP CB C 6 41.741 41.741 42.047 -0.306 19783 4310 1 9 . 1 1 6 6 ASP H H 6 8.499 8.499 8.521 -0.022 19783 4311 1 9 . 1 1 7 7 ILE N N 7 119.741 119.741 123.865 -4.124 19783 4312 1 9 . 1 1 7 7 ILE HA H 7 4.992 4.992 5.049 -0.057 19783 4313 1 9 . 1 1 7 7 ILE C C 7 173.334 173.334 174.409 -1.075 19783 4314 1 9 . 1 1 7 7 ILE CA C 7 60.213 60.213 60.232 -0.019 19783 4315 1 9 . 1 1 7 7 ILE CB C 7 40.206 40.206 40.783 -0.577 19783 4316 1 9 . 1 1 7 7 ILE H H 7 7.799 7.799 8.534 -0.735 19783 4317 1 9 . 1 1 8 8 SER N N 8 121.920 121.920 125.053 -3.133 19783 4318 1 9 . 1 1 8 8 SER HA H 8 4.694 4.694 4.784 -0.090 19783 4319 1 9 . 1 1 8 8 SER C C 8 172.508 172.508 172.482 0.026 19783 4320 1 9 . 1 1 8 8 SER CA C 8 56.801 56.801 56.914 -0.113 19783 4321 1 9 . 1 1 8 8 SER CB C 8 65.356 65.356 64.977 0.379 19783 4322 1 9 . 1 1 8 8 SER H H 8 8.850 8.850 8.803 0.047 19783 4323 1 9 . 1 1 9 9 VAL N N 9 125.845 125.845 126.933 -1.088 19783 4324 1 9 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.902 -0.293 19783 4325 1 9 . 1 1 9 9 VAL C C 9 174.647 174.647 174.319 0.328 19783 4326 1 9 . 1 1 9 9 VAL CA C 9 61.730 61.730 60.593 1.137 19783 4327 1 9 . 1 1 9 9 VAL CB C 9 34.372 34.372 35.011 -0.639 19783 4328 1 9 . 1 1 9 9 VAL H H 9 8.452 8.452 8.613 -0.161 19783 4329 1 9 . 1 1 10 10 SER N N 10 121.312 121.312 124.412 -3.100 19783 4330 1 9 . 1 1 10 10 SER HA H 10 4.725 4.725 4.727 -0.002 19783 4331 1 9 . 1 1 10 10 SER C C 10 171.784 171.784 172.500 -0.716 19783 4332 1 9 . 1 1 10 10 SER CA C 10 57.060 57.060 56.755 0.305 19783 4333 1 9 . 1 1 10 10 SER CB C 10 65.764 65.764 66.195 -0.431 19783 4334 1 9 . 1 1 10 10 SER H H 10 8.624 8.624 8.720 -0.096 19783 4335 1 9 . 1 1 11 11 LEU N N 11 124.101 124.101 123.734 0.367 19783 4336 1 9 . 1 1 11 11 LEU HA H 11 5.475 5.475 5.025 0.450 19783 4337 1 9 . 1 1 11 11 LEU C C 11 175.894 175.894 177.049 -1.155 19783 4338 1 9 . 1 1 11 11 LEU CA C 11 53.556 53.556 54.169 -0.613 19783 4339 1 9 . 1 1 11 11 LEU CB C 11 46.405 46.405 42.985 3.420 19783 4340 1 9 . 1 1 11 11 LEU H H 11 8.443 8.443 8.636 -0.193 19783 4341 1 9 . 1 1 12 12 LEU N N 12 124.363 124.363 124.654 -0.291 19783 4342 1 9 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.708 -0.129 19783 4343 1 9 . 1 1 12 12 LEU C C 12 175.708 175.708 175.577 0.131 19783 4344 1 9 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.792 -0.128 19783 4345 1 9 . 1 1 12 12 LEU CB C 12 43.727 43.727 42.870 0.857 19783 4346 1 9 . 1 1 12 12 LEU H H 12 8.977 8.977 9.371 -0.394 19783 4347 1 9 . 1 1 13 13 LYS N N 13 121.228 121.228 124.133 -2.905 19783 4348 1 9 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.486 -0.470 19783 4349 1 9 . 1 1 13 13 LYS CA C 13 54.332 54.332 54.244 0.088 19783 4350 1 9 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.952 -0.165 19783 4351 1 9 . 1 1 13 13 LYS H H 13 8.151 8.151 8.583 -0.432 19783 4352 1 9 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.485 -0.062 19783 4353 1 9 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.383 0.021 19783 4354 1 9 . 1 1 15 15 PRO CB C 15 31.948 31.948 32.382 -0.434 19783 4355 1 9 . 1 1 16 16 PHE N N 16 123.773 123.773 124.874 -1.101 19783 4356 1 9 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.481 -0.414 19783 4357 1 9 . 1 1 16 16 PHE CA C 16 60.874 60.874 57.567 3.307 19783 4358 1 9 . 1 1 16 16 PHE CB C 16 39.063 39.063 38.583 0.480 19783 4359 1 9 . 1 1 16 16 PHE H H 16 8.348 8.348 8.740 -0.392 19783 4360 1 9 . 1 1 19 19 ILE HA H 19 3.764 3.764 4.011 -0.247 19783 4361 1 9 . 1 1 19 19 ILE CA C 19 64.709 64.709 61.333 3.376 19783 4362 1 9 . 1 1 19 19 ILE CB C 19 38.630 38.630 38.614 0.016 19783 4363 1 9 . 1 1 19 19 ILE H H 19 8.268 8.268 8.005 0.263 19783 4364 1 9 . 1 1 20 20 TRP N N 20 119.035 119.035 122.146 -3.111 19783 4365 1 9 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.850 0.092 19783 4366 1 9 . 1 1 20 20 TRP C C 20 173.974 173.974 175.903 -1.929 19783 4367 1 9 . 1 1 20 20 TRP CA C 20 55.508 55.508 56.303 -0.795 19783 4368 1 9 . 1 1 20 20 TRP CB C 20 29.892 29.892 29.816 0.076 19783 4369 1 9 . 1 1 20 20 TRP H H 20 8.275 8.275 7.735 0.540 19783 4370 1 9 . 1 1 21 21 THR N N 21 122.056 122.056 117.256 4.800 19783 4371 1 9 . 1 1 21 21 THR HA H 21 4.585 4.585 4.565 0.020 19783 4372 1 9 . 1 1 21 21 THR CB C 21 70.303 70.303 69.912 0.391 19783 4373 1 9 . 1 1 21 21 THR H H 21 8.470 8.470 8.278 0.192 19783 4374 1 9 . 1 1 23 23 GLN N N 23 123.024 123.024 119.337 3.687 19783 4375 1 9 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.652 -0.503 19783 4376 1 9 . 1 1 23 23 GLN CA C 23 58.179 58.179 55.097 3.082 19783 4377 1 9 . 1 1 23 23 GLN CB C 23 26.860 26.860 30.719 -3.859 19783 4378 1 9 . 1 1 23 23 GLN H H 23 8.638 8.638 7.744 0.894 19783 4379 1 9 . 1 1 24 24 THR N N 24 110.779 110.779 111.127 -0.348 19783 4380 1 9 . 1 1 24 24 THR HA H 24 4.785 4.785 4.585 0.200 19783 4381 1 9 . 1 1 24 24 THR CA C 24 60.278 60.278 60.256 0.022 19783 4382 1 9 . 1 1 24 24 THR CB C 24 72.143 72.143 69.699 2.444 19783 4383 1 9 . 1 1 24 24 THR H H 24 7.402 7.402 8.097 -0.695 19783 4384 1 9 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.176 -0.083 19783 4385 1 9 . 1 1 25 25 ALA CA C 25 53.882 53.882 50.991 2.891 19783 4386 1 9 . 1 1 25 25 ALA CB C 25 19.459 19.459 17.444 2.015 19783 4387 1 9 . 1 1 26 26 THR N N 26 116.103 116.103 115.211 0.892 19783 4388 1 9 . 1 1 26 26 THR CB C 26 69.894 69.894 69.207 0.687 19783 4389 1 9 . 1 1 26 26 THR H H 26 7.874 7.874 7.350 0.524 19783 4390 1 9 . 1 1 27 27 ILE HA H 27 3.717 3.717 4.115 -0.398 19783 4391 1 9 . 1 1 27 27 ILE CA C 27 60.996 60.996 59.992 1.004 19783 4392 1 9 . 1 1 27 27 ILE CB C 27 39.127 39.127 40.224 -1.097 19783 4393 1 9 . 1 1 27 27 ILE H H 27 8.853 8.853 8.267 0.586 19783 4394 1 9 . 1 1 28 28 VAL N N 28 125.545 125.545 122.035 3.510 19783 4395 1 9 . 1 1 28 28 VAL HA H 28 4.651 4.651 4.811 -0.160 19783 4396 1 9 . 1 1 28 28 VAL C C 28 173.536 173.536 174.037 -0.501 19783 4397 1 9 . 1 1 28 28 VAL CA C 28 62.257 62.257 60.462 1.795 19783 4398 1 9 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.029 -0.843 19783 4399 1 9 . 1 1 28 28 VAL H H 28 7.502 7.502 8.444 -0.942 19783 4400 1 9 . 1 1 29 29 CYS N N 29 128.977 128.977 128.132 0.845 19783 4401 1 9 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.245 -0.063 19783 4402 1 9 . 1 1 29 29 CYS C C 29 172.070 172.070 173.042 -0.972 19783 4403 1 9 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.453 -3.072 19783 4404 1 9 . 1 1 29 29 CYS CB C 29 43.709 43.709 29.369 14.340 19783 4405 1 9 . 1 1 29 29 CYS H H 29 9.907 9.907 9.703 0.204 19783 4406 1 9 . 1 1 30 30 GLU N N 30 126.688 126.688 129.253 -2.565 19783 4407 1 9 . 1 1 30 30 GLU HA H 30 4.852 4.852 5.279 -0.427 19783 4408 1 9 . 1 1 30 30 GLU CA C 30 55.742 55.742 54.555 1.187 19783 4409 1 9 . 1 1 30 30 GLU CB C 30 32.387 32.387 32.955 -0.568 19783 4410 1 9 . 1 1 30 30 GLU H H 30 9.217 9.217 9.164 0.053 19783 4411 1 9 . 1 1 31 31 ILE N N 31 130.021 130.021 123.120 6.901 19783 4412 1 9 . 1 1 31 31 ILE HA H 31 4.944 4.944 5.377 -0.433 19783 4413 1 9 . 1 1 31 31 ILE C C 31 174.580 174.580 173.649 0.931 19783 4414 1 9 . 1 1 31 31 ILE CA C 31 60.795 60.795 58.211 2.584 19783 4415 1 9 . 1 1 31 31 ILE CB C 31 40.658 40.658 39.934 0.724 19783 4416 1 9 . 1 1 31 31 ILE H H 31 9.119 9.119 9.095 0.024 19783 4417 1 9 . 1 1 32 32 VAL N N 32 127.671 127.671 126.283 1.388 19783 4418 1 9 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.452 0.772 19783 4419 1 9 . 1 1 32 32 VAL C C 32 176.331 176.331 174.837 1.494 19783 4420 1 9 . 1 1 32 32 VAL CA C 32 61.204 61.204 60.684 0.520 19783 4421 1 9 . 1 1 32 32 VAL CB C 32 34.236 34.236 32.949 1.287 19783 4422 1 9 . 1 1 32 32 VAL H H 32 8.723 8.723 8.642 0.081 19783 4423 1 9 . 1 1 33 33 TYR N N 33 125.563 125.563 122.679 2.884 19783 4424 1 9 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.377 0.008 19783 4425 1 9 . 1 1 33 33 TYR C C 33 172.424 172.424 173.888 -1.464 19783 4426 1 9 . 1 1 33 33 TYR CA C 33 56.468 56.468 55.608 0.860 19783 4427 1 9 . 1 1 33 33 TYR CB C 33 41.612 41.612 40.471 1.141 19783 4428 1 9 . 1 1 33 33 TYR H H 33 9.114 9.114 8.747 0.367 19783 4429 1 9 . 1 1 34 34 SER N N 34 111.556 111.556 115.090 -3.534 19783 4430 1 9 . 1 1 34 34 SER HA H 34 4.749 4.749 4.878 -0.129 19783 4431 1 9 . 1 1 34 34 SER C C 34 174.108 174.108 173.761 0.347 19783 4432 1 9 . 1 1 34 34 SER CA C 34 57.900 57.900 57.750 0.150 19783 4433 1 9 . 1 1 34 34 SER CB C 34 65.956 65.956 66.740 -0.784 19783 4434 1 9 . 1 1 34 34 SER H H 34 8.342 8.342 8.783 -0.441 19783 4435 1 9 . 1 1 35 35 ASP N N 35 118.304 118.304 118.481 -0.177 19783 4436 1 9 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.391 -0.026 19783 4437 1 9 . 1 1 35 35 ASP C C 35 175.018 175.018 175.221 -0.203 19783 4438 1 9 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.728 1.073 19783 4439 1 9 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.776 -0.419 19783 4440 1 9 . 1 1 35 35 ASP H H 35 8.672 8.672 8.752 -0.080 19783 4441 1 9 . 1 1 36 36 LEU N N 36 117.764 117.764 117.977 -0.213 19783 4442 1 9 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.381 0.143 19783 4443 1 9 . 1 1 36 36 LEU C C 36 177.157 177.157 177.125 0.032 19783 4444 1 9 . 1 1 36 36 LEU CA C 36 55.171 55.171 53.811 1.360 19783 4445 1 9 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.276 0.007 19783 4446 1 9 . 1 1 36 36 LEU H H 36 7.357 7.357 7.597 -0.240 19783 4447 1 9 . 1 1 37 37 GLU N N 37 120.855 120.855 119.671 1.184 19783 4448 1 9 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.369 0.093 19783 4449 1 9 . 1 1 37 37 GLU C C 37 176.584 176.584 175.377 1.207 19783 4450 1 9 . 1 1 37 37 GLU CA C 37 57.020 57.020 55.631 1.389 19783 4451 1 9 . 1 1 37 37 GLU CB C 37 32.512 32.512 31.024 1.488 19783 4452 1 9 . 1 1 37 37 GLU H H 37 9.557 9.557 8.632 0.925 19783 4453 1 9 . 1 1 38 38 ASN N N 38 122.459 122.459 118.096 4.363 19783 4454 1 9 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.488 0.446 19783 4455 1 9 . 1 1 38 38 ASN C C 38 174.192 174.192 175.125 -0.933 19783 4456 1 9 . 1 1 38 38 ASN CA C 38 52.794 52.794 53.597 -0.803 19783 4457 1 9 . 1 1 38 38 ASN CB C 38 40.087 40.087 37.787 2.300 19783 4458 1 9 . 1 1 38 38 ASN H H 38 9.124 9.124 8.500 0.624 19783 4459 1 9 . 1 1 39 39 ILE N N 39 119.708 119.708 123.076 -3.368 19783 4460 1 9 . 1 1 39 39 ILE HA H 39 4.160 4.160 3.928 0.232 19783 4461 1 9 . 1 1 39 39 ILE C C 39 176.416 176.416 176.375 0.041 19783 4462 1 9 . 1 1 39 39 ILE CA C 39 62.166 62.166 61.739 0.427 19783 4463 1 9 . 1 1 39 39 ILE CB C 39 38.218 38.218 38.389 -0.171 19783 4464 1 9 . 1 1 39 39 ILE H H 39 7.252 7.252 8.052 -0.800 19783 4465 1 9 . 1 1 40 40 LYS N N 40 128.321 128.321 127.621 0.700 19783 4466 1 9 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.711 -0.308 19783 4467 1 9 . 1 1 40 40 LYS C C 40 173.755 173.755 174.683 -0.928 19783 4468 1 9 . 1 1 40 40 LYS CA C 40 55.056 55.056 54.823 0.233 19783 4469 1 9 . 1 1 40 40 LYS CB C 40 36.010 36.010 33.960 2.050 19783 4470 1 9 . 1 1 40 40 LYS H H 40 8.760 8.760 8.090 0.670 19783 4471 1 9 . 1 1 41 41 VAL N N 41 121.679 121.679 126.871 -5.192 19783 4472 1 9 . 1 1 41 41 VAL HA H 41 4.760 4.760 4.627 0.133 19783 4473 1 9 . 1 1 41 41 VAL C C 41 175.405 175.405 174.824 0.581 19783 4474 1 9 . 1 1 41 41 VAL CA C 41 60.873 60.873 61.193 -0.320 19783 4475 1 9 . 1 1 41 41 VAL CB C 41 33.886 33.886 33.158 0.728 19783 4476 1 9 . 1 1 41 41 VAL H H 41 7.902 7.902 8.595 -0.693 19783 4477 1 9 . 1 1 42 42 PHE N N 42 126.800 126.800 128.920 -2.120 19783 4478 1 9 . 1 1 42 42 PHE HA H 42 4.869 4.869 4.990 -0.121 19783 4479 1 9 . 1 1 42 42 PHE C C 42 172.340 172.340 173.364 -1.024 19783 4480 1 9 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.742 -0.652 19783 4481 1 9 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.222 -1.232 19783 4482 1 9 . 1 1 42 42 PHE H H 42 9.352 9.352 9.026 0.326 19783 4483 1 9 . 1 1 43 43 TRP N N 43 119.314 119.314 126.030 -6.716 19783 4484 1 9 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.255 0.480 19783 4485 1 9 . 1 1 43 43 TRP C C 43 177.393 177.393 174.044 3.349 19783 4486 1 9 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.507 0.389 19783 4487 1 9 . 1 1 43 43 TRP CB C 43 32.055 32.055 32.621 -0.566 19783 4488 1 9 . 1 1 43 43 TRP H H 43 8.847 8.847 8.301 0.546 19783 4489 1 9 . 1 1 44 44 GLN N N 44 118.782 118.782 121.281 -2.499 19783 4490 1 9 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.545 0.459 19783 4491 1 9 . 1 1 44 44 GLN C C 44 175.035 175.035 173.919 1.116 19783 4492 1 9 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.528 -0.365 19783 4493 1 9 . 1 1 44 44 GLN CB C 44 33.065 33.065 32.969 0.096 19783 4494 1 9 . 1 1 44 44 GLN H H 44 9.376 9.376 8.591 0.785 19783 4495 1 9 . 1 1 45 45 VAL N N 45 121.659 121.659 126.608 -4.949 19783 4496 1 9 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.393 0.013 19783 4497 1 9 . 1 1 45 45 VAL C C 45 176.921 176.921 175.480 1.441 19783 4498 1 9 . 1 1 45 45 VAL CA C 45 61.827 61.827 59.917 1.910 19783 4499 1 9 . 1 1 45 45 VAL CB C 45 34.260 34.260 31.941 2.319 19783 4500 1 9 . 1 1 45 45 VAL H H 45 8.796 8.796 8.957 -0.161 19783 4501 1 9 . 1 1 46 46 ASN N N 46 128.796 128.796 125.420 3.376 19783 4502 1 9 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.379 0.004 19783 4503 1 9 . 1 1 46 46 ASN C C 46 175.523 175.523 175.757 -0.234 19783 4504 1 9 . 1 1 46 46 ASN CA C 46 54.279 54.279 54.195 0.084 19783 4505 1 9 . 1 1 46 46 ASN CB C 46 37.485 37.485 37.427 0.058 19783 4506 1 9 . 1 1 46 46 ASN H H 46 9.628 9.628 9.160 0.468 19783 4507 1 9 . 1 1 47 47 GLY N N 47 102.032 102.032 102.205 -0.173 19783 4508 1 9 . 1 1 47 47 GLY C C 47 173.519 173.519 173.949 -0.430 19783 4509 1 9 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.385 0.088 19783 4510 1 9 . 1 1 47 47 GLY H H 47 8.820 8.820 8.209 0.611 19783 4511 1 9 . 1 1 48 48 VAL N N 48 120.265 120.265 123.385 -3.120 19783 4512 1 9 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.193 0.062 19783 4513 1 9 . 1 1 48 48 VAL C C 48 175.691 175.691 175.702 -0.011 19783 4514 1 9 . 1 1 48 48 VAL CA C 48 61.080 61.080 60.794 0.286 19783 4515 1 9 . 1 1 48 48 VAL CB C 48 34.420 34.420 32.205 2.216 19783 4516 1 9 . 1 1 48 48 VAL H H 48 7.529 7.529 7.652 -0.123 19783 4517 1 9 . 1 1 49 49 GLU N N 49 128.059 128.059 125.986 2.073 19783 4518 1 9 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.280 0.457 19783 4519 1 9 . 1 1 49 49 GLU C C 49 175.927 175.927 176.425 -0.498 19783 4520 1 9 . 1 1 49 49 GLU CA C 49 57.835 57.835 58.094 -0.259 19783 4521 1 9 . 1 1 49 49 GLU CB C 49 29.551 29.551 30.353 -0.802 19783 4522 1 9 . 1 1 49 49 GLU H H 49 8.851 8.851 8.844 0.007 19783 4523 1 9 . 1 1 50 50 ARG N N 50 128.391 128.391 126.483 1.908 19783 4524 1 9 . 1 1 50 50 ARG CA C 50 54.280 54.280 55.354 -1.074 19783 4525 1 9 . 1 1 50 50 ARG CB C 50 32.304 32.304 30.569 1.735 19783 4526 1 9 . 1 1 50 50 ARG H H 50 8.704 8.704 8.112 0.592 19783 4527 1 9 . 1 1 51 51 LYS N N 51 124.441 124.441 125.190 -0.749 19783 4528 1 9 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.183 0.346 19783 4529 1 9 . 1 1 51 51 LYS CA C 51 56.868 56.868 56.379 0.489 19783 4530 1 9 . 1 1 51 51 LYS CB C 51 34.604 34.604 33.283 1.321 19783 4531 1 9 . 1 1 51 51 LYS H H 51 8.772 8.772 8.473 0.299 19783 4532 1 9 . 1 1 52 52 LYS N N 52 122.374 122.374 120.462 1.912 19783 4533 1 9 . 1 1 52 52 LYS HA H 52 4.197 4.197 4.042 0.155 19783 4534 1 9 . 1 1 52 52 LYS C C 52 176.921 176.921 177.283 -0.362 19783 4535 1 9 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.448 0.031 19783 4536 1 9 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.435 0.607 19783 4537 1 9 . 1 1 52 52 LYS H H 52 7.752 7.752 8.398 -0.646 19783 4538 1 9 . 1 1 53 53 GLY N N 53 112.970 112.970 106.469 6.501 19783 4539 1 9 . 1 1 53 53 GLY C C 53 173.872 173.872 173.075 0.797 19783 4540 1 9 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.910 0.746 19783 4541 1 9 . 1 1 53 53 GLY H H 53 8.832 8.832 8.479 0.353 19783 4542 1 9 . 1 1 54 54 VAL N N 54 120.474 120.474 121.540 -1.066 19783 4543 1 9 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.546 -0.063 19783 4544 1 9 . 1 1 54 54 VAL C C 54 176.870 176.870 175.010 1.860 19783 4545 1 9 . 1 1 54 54 VAL CA C 54 62.101 62.101 60.838 1.263 19783 4546 1 9 . 1 1 54 54 VAL CB C 54 33.587 33.587 33.107 0.480 19783 4547 1 9 . 1 1 54 54 VAL H H 54 7.004 7.004 7.529 -0.525 19783 4548 1 9 . 1 1 55 55 GLU N N 55 129.276 129.276 130.645 -1.369 19783 4549 1 9 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.732 -0.015 19783 4550 1 9 . 1 1 55 55 GLU C C 55 175.068 175.068 175.371 -0.303 19783 4551 1 9 . 1 1 55 55 GLU CA C 55 55.831 55.831 54.789 1.042 19783 4552 1 9 . 1 1 55 55 GLU CB C 55 32.917 32.917 31.940 0.977 19783 4553 1 9 . 1 1 55 55 GLU H H 55 9.091 9.091 9.070 0.021 19783 4554 1 9 . 1 1 56 56 THR N N 56 126.675 126.675 121.516 5.159 19783 4555 1 9 . 1 1 56 56 THR HA H 56 4.881 4.881 4.569 0.312 19783 4556 1 9 . 1 1 56 56 THR CA C 56 62.268 62.268 62.735 -0.467 19783 4557 1 9 . 1 1 56 56 THR CB C 56 69.679 69.679 69.465 0.214 19783 4558 1 9 . 1 1 56 56 THR H H 56 9.162 9.162 8.720 0.442 19783 4559 1 9 . 1 1 57 57 GLN N N 57 127.368 127.368 125.800 1.568 19783 4560 1 9 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.614 -0.225 19783 4561 1 9 . 1 1 57 57 GLN C C 57 175.254 175.254 175.340 -0.086 19783 4562 1 9 . 1 1 57 57 GLN CA C 57 55.285 55.285 54.356 0.929 19783 4563 1 9 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.573 -0.068 19783 4564 1 9 . 1 1 57 57 GLN H H 57 8.638 8.638 8.597 0.041 19783 4565 1 9 . 1 1 58 58 ASN N N 58 118.031 118.031 119.102 -1.071 19783 4566 1 9 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.892 -0.052 19783 4567 1 9 . 1 1 58 58 ASN CA C 58 52.081 52.081 52.022 0.059 19783 4568 1 9 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.218 -0.925 19783 4569 1 9 . 1 1 58 58 ASN H H 58 8.398 8.398 8.512 -0.114 19783 4570 1 9 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.565 0.050 19783 4571 1 9 . 1 1 59 59 PRO CA C 59 63.453 63.453 62.652 0.801 19783 4572 1 9 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.149 0.113 19783 4573 1 9 . 1 1 60 60 GLU N N 60 122.445 122.445 121.012 1.433 19783 4574 1 9 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.612 0.026 19783 4575 1 9 . 1 1 60 60 GLU C C 60 175.574 175.574 175.437 0.137 19783 4576 1 9 . 1 1 60 60 GLU CA C 60 54.797 54.797 55.109 -0.312 19783 4577 1 9 . 1 1 60 60 GLU CB C 60 32.614 32.614 31.640 0.974 19783 4578 1 9 . 1 1 60 60 GLU H H 60 8.704 8.704 8.500 0.204 19783 4579 1 9 . 1 1 61 61 TRP N N 61 125.833 125.833 126.945 -1.112 19783 4580 1 9 . 1 1 61 61 TRP HA H 61 5.060 5.060 5.100 -0.040 19783 4581 1 9 . 1 1 61 61 TRP C C 61 176.651 176.651 176.429 0.222 19783 4582 1 9 . 1 1 61 61 TRP CA C 61 57.163 57.163 55.914 1.249 19783 4583 1 9 . 1 1 61 61 TRP CB C 61 30.886 30.886 30.483 0.403 19783 4584 1 9 . 1 1 61 61 TRP H H 61 8.817 8.817 8.738 0.079 19783 4585 1 9 . 1 1 62 62 SER N N 62 120.682 120.682 121.817 -1.135 19783 4586 1 9 . 1 1 62 62 SER HA H 62 4.424 4.424 4.838 -0.414 19783 4587 1 9 . 1 1 62 62 SER C C 62 174.614 174.614 175.097 -0.483 19783 4588 1 9 . 1 1 62 62 SER CA C 62 57.422 57.422 57.244 0.178 19783 4589 1 9 . 1 1 62 62 SER CB C 62 64.113 64.113 63.016 1.097 19783 4590 1 9 . 1 1 62 62 SER H H 62 8.551 8.551 8.970 -0.419 19783 4591 1 9 . 1 1 63 63 GLY N N 63 112.655 112.655 116.970 -4.315 19783 4592 1 9 . 1 1 63 63 GLY CA C 63 46.488 46.488 46.808 -0.320 19783 4593 1 9 . 1 1 63 63 GLY H H 63 6.895 6.895 8.830 -1.935 19783 4594 1 9 . 1 1 64 64 SER HA H 64 4.347 4.347 4.660 -0.313 19783 4595 1 9 . 1 1 64 64 SER CA C 64 59.027 59.027 57.999 1.028 19783 4596 1 9 . 1 1 64 64 SER CB C 64 63.975 63.975 64.385 -0.410 19783 4597 1 9 . 1 1 65 65 LYS N N 65 120.463 120.463 123.211 -2.748 19783 4598 1 9 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.944 -0.461 19783 4599 1 9 . 1 1 65 65 LYS C C 65 174.816 174.816 175.453 -0.637 19783 4600 1 9 . 1 1 65 65 LYS CA C 65 54.862 54.862 54.465 0.397 19783 4601 1 9 . 1 1 65 65 LYS CB C 65 35.788 35.788 33.921 1.867 19783 4602 1 9 . 1 1 65 65 LYS H H 65 7.441 7.441 7.968 -0.527 19783 4603 1 9 . 1 1 66 66 SER N N 66 117.984 117.984 118.988 -1.004 19783 4604 1 9 . 1 1 66 66 SER HA H 66 4.999 4.999 4.916 0.083 19783 4605 1 9 . 1 1 66 66 SER C C 66 172.205 172.205 173.582 -1.377 19783 4606 1 9 . 1 1 66 66 SER CA C 66 57.739 57.739 57.102 0.637 19783 4607 1 9 . 1 1 66 66 SER CB C 66 64.876 64.876 65.633 -0.757 19783 4608 1 9 . 1 1 66 66 SER H H 66 8.522 8.522 8.322 0.200 19783 4609 1 9 . 1 1 67 67 THR N N 67 115.663 115.663 119.184 -3.521 19783 4610 1 9 . 1 1 67 67 THR HA H 67 5.608 5.608 4.636 0.972 19783 4611 1 9 . 1 1 67 67 THR C C 67 175.102 175.102 172.888 2.214 19783 4612 1 9 . 1 1 67 67 THR CA C 67 60.739 60.739 61.824 -1.085 19783 4613 1 9 . 1 1 67 67 THR CB C 67 72.013 72.013 71.043 0.970 19783 4614 1 9 . 1 1 67 67 THR H H 67 8.354 8.354 8.145 0.209 19783 4615 1 9 . 1 1 68 68 ILE N N 68 127.394 127.394 128.012 -0.618 19783 4616 1 9 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.386 -0.083 19783 4617 1 9 . 1 1 68 68 ILE C C 68 173.519 173.519 173.770 -0.251 19783 4618 1 9 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.135 2.142 19783 4619 1 9 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.775 1.352 19783 4620 1 9 . 1 1 68 68 ILE H H 68 9.529 9.529 8.958 0.571 19783 4621 1 9 . 1 1 69 69 VAL N N 69 125.903 125.903 127.904 -2.001 19783 4622 1 9 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.946 -0.089 19783 4623 1 9 . 1 1 69 69 VAL C C 69 174.917 174.917 174.270 0.647 19783 4624 1 9 . 1 1 69 69 VAL CA C 69 61.241 61.241 59.643 1.598 19783 4625 1 9 . 1 1 69 69 VAL CB C 69 34.136 34.136 34.269 -0.133 19783 4626 1 9 . 1 1 69 69 VAL H H 69 7.253 7.253 8.581 -1.328 19783 4627 1 9 . 1 1 70 70 SER N N 70 121.681 121.681 124.732 -3.051 19783 4628 1 9 . 1 1 70 70 SER HA H 70 5.397 5.397 5.687 -0.290 19783 4629 1 9 . 1 1 70 70 SER C C 70 173.047 173.047 173.276 -0.229 19783 4630 1 9 . 1 1 70 70 SER CA C 70 56.407 56.407 56.827 -0.420 19783 4631 1 9 . 1 1 70 70 SER CB C 70 64.832 64.832 65.452 -0.620 19783 4632 1 9 . 1 1 70 70 SER H H 70 9.302 9.302 9.343 -0.041 19783 4633 1 9 . 1 1 71 71 LYS N N 71 127.421 127.421 125.322 2.099 19783 4634 1 9 . 1 1 71 71 LYS HA H 71 5.360 5.360 4.950 0.410 19783 4635 1 9 . 1 1 71 71 LYS C C 71 173.603 173.603 174.010 -0.407 19783 4636 1 9 . 1 1 71 71 LYS CA C 71 54.771 54.771 54.867 -0.096 19783 4637 1 9 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.947 0.162 19783 4638 1 9 . 1 1 71 71 LYS H H 71 9.029 9.029 9.154 -0.125 19783 4639 1 9 . 1 1 72 72 LEU N N 72 124.252 124.252 125.246 -0.994 19783 4640 1 9 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.651 -0.369 19783 4641 1 9 . 1 1 72 72 LEU C C 72 174.075 174.075 175.671 -1.596 19783 4642 1 9 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.428 0.571 19783 4643 1 9 . 1 1 72 72 LEU CB C 72 41.516 41.516 43.698 -2.182 19783 4644 1 9 . 1 1 72 72 LEU H H 72 8.407 8.407 8.991 -0.584 19783 4645 1 9 . 1 1 73 73 LYS N N 73 128.141 128.141 128.863 -0.722 19783 4646 1 9 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.228 0.550 19783 4647 1 9 . 1 1 73 73 LYS C C 73 176.331 176.331 174.732 1.599 19783 4648 1 9 . 1 1 73 73 LYS CA C 73 55.250 55.250 56.417 -1.167 19783 4649 1 9 . 1 1 73 73 LYS CB C 73 33.333 33.333 32.334 0.999 19783 4650 1 9 . 1 1 73 73 LYS H H 73 8.090 8.090 8.824 -0.734 19783 4651 1 9 . 1 1 74 74 VAL N N 74 121.453 121.453 123.216 -1.763 19783 4652 1 9 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.242 0.390 19783 4653 1 9 . 1 1 74 74 VAL C C 74 175.590 175.590 174.587 1.003 19783 4654 1 9 . 1 1 74 74 VAL CA C 74 58.455 58.455 59.443 -0.987 19783 4655 1 9 . 1 1 74 74 VAL CB C 74 35.744 35.744 34.957 0.787 19783 4656 1 9 . 1 1 74 74 VAL H H 74 8.730 8.730 8.182 0.548 19783 4657 1 9 . 1 1 75 75 MET N N 75 119.151 119.151 123.936 -4.785 19783 4658 1 9 . 1 1 75 75 MET HA H 75 4.560 4.560 4.599 -0.039 19783 4659 1 9 . 1 1 75 75 MET CA C 75 55.753 55.753 55.252 0.501 19783 4660 1 9 . 1 1 75 75 MET CB C 75 32.563 32.563 33.120 -0.557 19783 4661 1 9 . 1 1 75 75 MET H H 75 8.724 8.724 8.913 -0.189 19783 4662 1 9 . 1 1 76 76 ALA N N 76 127.351 127.351 127.632 -0.281 19783 4663 1 9 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.073 -0.331 19783 4664 1 9 . 1 1 76 76 ALA C C 76 178.487 178.487 180.097 -1.610 19783 4665 1 9 . 1 1 76 76 ALA CA C 76 55.953 55.953 55.528 0.425 19783 4666 1 9 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.343 -0.349 19783 4667 1 9 . 1 1 76 76 ALA H H 76 8.460 8.460 8.887 -0.427 19783 4668 1 9 . 1 1 77 77 SER N N 77 110.202 110.202 111.316 -1.114 19783 4669 1 9 . 1 1 77 77 SER HA H 77 4.149 4.149 4.276 -0.127 19783 4670 1 9 . 1 1 77 77 SER C C 77 176.550 176.550 176.647 -0.097 19783 4671 1 9 . 1 1 77 77 SER CA C 77 60.894 60.894 61.164 -0.270 19783 4672 1 9 . 1 1 77 77 SER CB C 77 61.996 61.996 62.865 -0.869 19783 4673 1 9 . 1 1 77 77 SER H H 77 8.460 8.460 8.483 -0.023 19783 4674 1 9 . 1 1 78 78 GLU N N 78 124.828 124.828 122.441 2.387 19783 4675 1 9 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.234 -0.084 19783 4676 1 9 . 1 1 78 78 GLU C C 78 179.599 179.599 178.647 0.952 19783 4677 1 9 . 1 1 78 78 GLU CA C 78 59.118 59.118 58.869 0.249 19783 4678 1 9 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.356 2.016 19783 4679 1 9 . 1 1 78 78 GLU H H 78 7.336 7.336 7.860 -0.524 19783 4680 1 9 . 1 1 79 79 TRP N N 79 123.252 123.252 121.736 1.516 19783 4681 1 9 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.456 0.178 19783 4682 1 9 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.591 1.203 19783 4683 1 9 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.839 -0.371 19783 4684 1 9 . 1 1 79 79 TRP H H 79 7.469 7.469 8.429 -0.960 19783 4685 1 9 . 1 1 80 80 ASP N N 80 116.114 116.114 120.042 -3.928 19783 4686 1 9 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.383 -0.090 19783 4687 1 9 . 1 1 80 80 ASP C C 80 177.174 177.174 177.823 -0.649 19783 4688 1 9 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.593 0.014 19783 4689 1 9 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.632 0.702 19783 4690 1 9 . 1 1 80 80 ASP H H 80 8.816 8.816 8.194 0.622 19783 4691 1 9 . 1 1 81 81 SER N N 81 112.692 112.692 113.288 -0.596 19783 4692 1 9 . 1 1 81 81 SER HA H 81 4.338 4.338 4.476 -0.138 19783 4693 1 9 . 1 1 81 81 SER C C 81 175.203 175.203 175.198 0.005 19783 4694 1 9 . 1 1 81 81 SER CA C 81 59.645 59.645 57.482 2.163 19783 4695 1 9 . 1 1 81 81 SER CB C 81 64.055 64.055 63.791 0.265 19783 4696 1 9 . 1 1 81 81 SER H H 81 7.393 7.393 7.513 -0.120 19783 4697 1 9 . 1 1 82 82 GLY N N 82 108.811 108.811 110.668 -1.857 19783 4698 1 9 . 1 1 82 82 GLY C C 82 173.687 173.687 175.007 -1.320 19783 4699 1 9 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.485 0.735 19783 4700 1 9 . 1 1 82 82 GLY H H 82 7.587 7.587 7.608 -0.021 19783 4701 1 9 . 1 1 83 83 THR N N 83 116.253 116.253 116.299 -0.046 19783 4702 1 9 . 1 1 83 83 THR HA H 83 3.668 3.668 4.130 -0.462 19783 4703 1 9 . 1 1 83 83 THR C C 83 170.908 170.908 174.624 -3.716 19783 4704 1 9 . 1 1 83 83 THR CA C 83 63.674 63.674 65.001 -1.327 19783 4705 1 9 . 1 1 83 83 THR CB C 83 70.037 70.037 69.445 0.592 19783 4706 1 9 . 1 1 83 83 THR H H 83 6.788 6.788 7.737 -0.949 19783 4707 1 9 . 1 1 84 84 GLU N N 84 124.967 124.967 126.181 -1.214 19783 4708 1 9 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.915 -0.238 19783 4709 1 9 . 1 1 84 84 GLU C C 84 174.462 174.462 175.581 -1.119 19783 4710 1 9 . 1 1 84 84 GLU CA C 84 55.508 55.508 56.095 -0.587 19783 4711 1 9 . 1 1 84 84 GLU CB C 84 32.044 32.044 31.485 0.558 19783 4712 1 9 . 1 1 84 84 GLU H H 84 8.006 8.006 8.695 -0.689 19783 4713 1 9 . 1 1 85 85 TYR N N 85 127.327 127.327 120.690 6.637 19783 4714 1 9 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.077 -0.128 19783 4715 1 9 . 1 1 85 85 TYR C C 85 174.563 174.563 174.668 -0.105 19783 4716 1 9 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.371 1.078 19783 4717 1 9 . 1 1 85 85 TYR CB C 85 41.291 41.291 42.449 -1.158 19783 4718 1 9 . 1 1 85 85 TYR H H 85 8.993 8.993 8.731 0.262 19783 4719 1 9 . 1 1 86 86 VAL N N 86 121.985 121.985 122.434 -0.449 19783 4720 1 9 . 1 1 86 86 VAL HA H 86 4.884 4.884 4.843 0.041 19783 4721 1 9 . 1 1 86 86 VAL C C 86 173.822 173.822 173.909 -0.087 19783 4722 1 9 . 1 1 86 86 VAL CA C 86 60.701 60.701 60.572 0.129 19783 4723 1 9 . 1 1 86 86 VAL CB C 86 35.536 35.536 34.875 0.661 19783 4724 1 9 . 1 1 86 86 VAL H H 86 8.873 8.873 8.384 0.489 19783 4725 1 9 . 1 1 87 87 CYS N N 87 127.376 127.376 127.234 0.142 19783 4726 1 9 . 1 1 87 87 CYS HA H 87 3.909 3.909 4.724 -0.815 19783 4727 1 9 . 1 1 87 87 CYS C C 87 171.211 171.211 173.152 -1.941 19783 4728 1 9 . 1 1 87 87 CYS CA C 87 52.879 52.879 56.114 -3.235 19783 4729 1 9 . 1 1 87 87 CYS CB C 87 44.008 44.008 27.131 16.877 19783 4730 1 9 . 1 1 87 87 CYS H H 87 8.312 8.312 8.976 -0.664 19783 4731 1 9 . 1 1 88 88 LEU N N 88 127.118 127.118 130.133 -3.015 19783 4732 1 9 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.694 -0.748 19783 4733 1 9 . 1 1 88 88 LEU C C 88 173.957 173.957 175.422 -1.465 19783 4734 1 9 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.662 0.842 19783 4735 1 9 . 1 1 88 88 LEU CB C 88 45.537 45.537 46.187 -0.650 19783 4736 1 9 . 1 1 88 88 LEU H H 88 8.837 8.837 9.052 -0.215 19783 4737 1 9 . 1 1 89 89 VAL N N 89 120.421 120.421 121.377 -0.956 19783 4738 1 9 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.805 0.059 19783 4739 1 9 . 1 1 89 89 VAL C C 89 174.580 174.580 174.270 0.310 19783 4740 1 9 . 1 1 89 89 VAL CA C 89 60.421 60.421 61.294 -0.873 19783 4741 1 9 . 1 1 89 89 VAL CB C 89 34.505 34.505 35.425 -0.920 19783 4742 1 9 . 1 1 89 89 VAL H H 89 8.687 8.687 9.077 -0.390 19783 4743 1 9 . 1 1 90 90 GLU N N 90 122.482 122.482 125.196 -2.714 19783 4744 1 9 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.793 0.030 19783 4745 1 9 . 1 1 90 90 GLU C C 90 174.664 174.664 174.185 0.479 19783 4746 1 9 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.137 0.065 19783 4747 1 9 . 1 1 90 90 GLU CB C 90 34.685 34.685 33.453 1.232 19783 4748 1 9 . 1 1 90 90 GLU H H 90 8.551 8.551 8.201 0.350 19783 4749 1 9 . 1 1 91 91 ASP N N 91 119.348 119.348 121.129 -1.781 19783 4750 1 9 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.873 -0.129 19783 4751 1 9 . 1 1 91 91 ASP C C 91 176.921 176.921 176.458 0.463 19783 4752 1 9 . 1 1 91 91 ASP CA C 91 54.603 54.603 52.910 1.694 19783 4753 1 9 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.461 4.097 19783 4754 1 9 . 1 1 91 91 ASP H H 91 7.980 7.980 8.420 -0.440 19783 4755 1 9 . 1 1 92 92 SER N N 92 121.504 121.504 117.595 3.909 19783 4756 1 9 . 1 1 92 92 SER HA H 92 4.158 4.158 4.267 -0.109 19783 4757 1 9 . 1 1 92 92 SER C C 92 175.574 175.574 175.220 0.354 19783 4758 1 9 . 1 1 92 92 SER CA C 92 61.803 61.803 60.602 1.200 19783 4759 1 9 . 1 1 92 92 SER CB C 92 62.911 62.911 62.982 -0.071 19783 4760 1 9 . 1 1 92 92 SER H H 92 7.973 7.973 8.888 -0.915 19783 4761 1 9 . 1 1 93 93 GLU N N 93 121.008 121.008 119.549 1.459 19783 4762 1 9 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.365 -0.076 19783 4763 1 9 . 1 1 93 93 GLU C C 93 176.517 176.517 176.591 -0.074 19783 4764 1 9 . 1 1 93 93 GLU CA C 93 56.610 56.610 55.836 0.774 19783 4765 1 9 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.176 -0.201 19783 4766 1 9 . 1 1 93 93 GLU H H 93 9.782 9.782 8.109 1.673 19783 4767 1 9 . 1 1 94 94 LEU N N 94 121.375 121.375 122.261 -0.886 19783 4768 1 9 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.464 0.321 19783 4769 1 9 . 1 1 94 94 LEU CA C 94 51.759 51.759 52.993 -1.234 19783 4770 1 9 . 1 1 94 94 LEU CB C 94 42.854 42.854 41.889 0.965 19783 4771 1 9 . 1 1 94 94 LEU H H 94 7.802 7.802 7.341 0.461 19783 4772 1 9 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.581 -0.297 19783 4773 1 9 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.585 1.222 19783 4774 1 9 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.265 0.035 19783 4775 1 9 . 1 1 96 96 THR N N 96 109.657 109.657 112.649 -2.992 19783 4776 1 9 . 1 1 96 96 THR HA H 96 4.499 4.499 4.649 -0.150 19783 4777 1 9 . 1 1 96 96 THR CA C 96 58.673 58.673 58.902 -0.229 19783 4778 1 9 . 1 1 96 96 THR CB C 96 70.994 70.994 70.038 0.956 19783 4779 1 9 . 1 1 96 96 THR H H 96 7.094 7.094 7.795 -0.701 19783 4780 1 9 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.779 -0.033 19783 4781 1 9 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.297 0.997 19783 4782 1 9 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.319 0.650 19783 4783 1 9 . 1 1 98 98 VAL N N 98 122.997 122.997 117.975 5.022 19783 4784 1 9 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.572 -0.364 19783 4785 1 9 . 1 1 98 98 VAL C C 98 173.923 173.923 174.511 -0.588 19783 4786 1 9 . 1 1 98 98 VAL CA C 98 61.972 61.972 60.125 1.847 19783 4787 1 9 . 1 1 98 98 VAL CB C 98 33.468 33.468 34.161 -0.693 19783 4788 1 9 . 1 1 98 98 VAL H H 98 8.358 8.358 8.739 -0.381 19783 4789 1 9 . 1 1 99 99 LYS N N 99 122.194 122.194 122.967 -0.773 19783 4790 1 9 . 1 1 99 99 LYS HA H 99 5.482 5.482 5.601 -0.119 19783 4791 1 9 . 1 1 99 99 LYS C C 99 174.984 174.984 174.994 -0.010 19783 4792 1 9 . 1 1 99 99 LYS CA C 99 54.322 54.322 54.064 0.258 19783 4793 1 9 . 1 1 99 99 LYS CB C 99 37.320 37.320 36.746 0.574 19783 4794 1 9 . 1 1 99 99 LYS H H 99 8.340 8.340 8.132 0.208 19783 4795 1 9 . 1 1 100 100 ALA N N 100 123.875 123.875 122.762 1.113 19783 4796 1 9 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.612 0.026 19783 4797 1 9 . 1 1 100 100 ALA C C 100 174.243 174.243 174.831 -0.588 19783 4798 1 9 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.829 -0.437 19783 4799 1 9 . 1 1 100 100 ALA CB C 100 23.012 23.012 21.978 1.034 19783 4800 1 9 . 1 1 100 100 ALA H H 100 8.600 8.600 8.568 0.032 19783 4801 1 9 . 1 1 101 101 SER N N 101 114.189 114.189 116.057 -1.868 19783 4802 1 9 . 1 1 101 101 SER HA H 101 5.761 5.761 5.761 0.000 19783 4803 1 9 . 1 1 101 101 SER C C 101 173.519 173.519 173.776 -0.257 19783 4804 1 9 . 1 1 101 101 SER CA C 101 56.346 56.346 56.236 0.110 19783 4805 1 9 . 1 1 101 101 SER CB C 101 67.504 67.504 65.505 1.999 19783 4806 1 9 . 1 1 101 101 SER H H 101 8.367 8.367 8.373 -0.006 19783 4807 1 9 . 1 1 102 102 ILE N N 102 121.742 121.742 124.821 -3.079 19783 4808 1 9 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.558 0.220 19783 4809 1 9 . 1 1 102 102 ILE C C 102 170.824 170.824 174.019 -3.195 19783 4810 1 9 . 1 1 102 102 ILE CA C 102 61.198 61.198 60.034 1.164 19783 4811 1 9 . 1 1 102 102 ILE CB C 102 41.820 41.820 42.132 -0.312 19783 4812 1 9 . 1 1 102 102 ILE H H 102 9.317 9.317 9.259 0.058 19783 4813 1 9 . 1 1 103 103 ARG N N 103 120.111 120.111 125.329 -5.218 19783 4814 1 9 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.687 -0.106 19783 4815 1 9 . 1 1 103 103 ARG C C 103 174.411 174.411 174.809 -0.398 19783 4816 1 9 . 1 1 103 103 ARG CA C 103 54.474 54.474 54.020 0.454 19783 4817 1 9 . 1 1 103 103 ARG CB C 103 34.589 34.589 33.314 1.275 19783 4818 1 9 . 1 1 103 103 ARG H H 103 7.525 7.525 8.471 -0.946 19783 4819 1 9 . 1 1 104 104 LYS N N 104 126.177 126.177 122.485 3.692 19783 4820 1 9 . 1 1 104 104 LYS HA H 104 3.614 3.614 3.512 0.102 19783 4821 1 9 . 1 1 104 104 LYS C C 104 175.287 175.287 175.208 0.079 19783 4822 1 9 . 1 1 104 104 LYS CA C 104 58.288 58.288 55.800 2.488 19783 4823 1 9 . 1 1 104 104 LYS CB C 104 32.169 32.169 31.247 0.922 19783 4824 1 9 . 1 1 104 104 LYS H H 104 9.077 9.077 8.337 0.740 19783 4825 1 10 . 1 1 2 2 GLY CA C 2 43.533 43.533 45.333 -1.800 19783 4826 1 10 . 1 1 3 3 ARG HA H 3 4.368 4.368 4.109 0.259 19783 4827 1 10 . 1 1 3 3 ARG CA C 3 56.394 56.394 58.072 -1.678 19783 4828 1 10 . 1 1 3 3 ARG CB C 3 31.358 31.358 30.191 1.167 19783 4829 1 10 . 1 1 4 4 GLN N N 4 122.771 122.771 117.291 5.480 19783 4830 1 10 . 1 1 4 4 GLN HA H 4 4.393 4.393 4.396 -0.003 19783 4831 1 10 . 1 1 4 4 GLN C C 4 175.843 175.843 176.503 -0.660 19783 4832 1 10 . 1 1 4 4 GLN CA C 4 56.155 56.155 56.797 -0.642 19783 4833 1 10 . 1 1 4 4 GLN CB C 4 29.413 29.413 29.484 -0.071 19783 4834 1 10 . 1 1 4 4 GLN H H 4 8.899 8.899 8.170 0.729 19783 4835 1 10 . 1 1 5 5 THR N N 5 115.866 115.866 116.419 -0.553 19783 4836 1 10 . 1 1 5 5 THR HA H 5 4.276 4.276 4.482 -0.206 19783 4837 1 10 . 1 1 5 5 THR C C 5 173.957 173.957 173.306 0.651 19783 4838 1 10 . 1 1 5 5 THR CA C 5 62.295 62.295 61.319 0.976 19783 4839 1 10 . 1 1 5 5 THR CB C 5 69.957 69.957 68.324 1.633 19783 4840 1 10 . 1 1 5 5 THR H H 5 8.063 8.063 7.925 0.138 19783 4841 1 10 . 1 1 6 6 ASP N N 6 124.653 124.653 130.034 -5.381 19783 4842 1 10 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.769 -0.019 19783 4843 1 10 . 1 1 6 6 ASP C C 6 174.159 174.159 174.424 -0.265 19783 4844 1 10 . 1 1 6 6 ASP CA C 6 54.022 54.022 53.752 0.270 19783 4845 1 10 . 1 1 6 6 ASP CB C 6 41.741 41.741 41.809 -0.068 19783 4846 1 10 . 1 1 6 6 ASP H H 6 8.499 8.499 8.387 0.112 19783 4847 1 10 . 1 1 7 7 ILE N N 7 119.741 119.741 126.318 -6.577 19783 4848 1 10 . 1 1 7 7 ILE HA H 7 4.992 4.992 4.851 0.141 19783 4849 1 10 . 1 1 7 7 ILE C C 7 173.334 173.334 174.186 -0.852 19783 4850 1 10 . 1 1 7 7 ILE CA C 7 60.213 60.213 59.993 0.220 19783 4851 1 10 . 1 1 7 7 ILE CB C 7 40.206 40.206 40.852 -0.646 19783 4852 1 10 . 1 1 7 7 ILE H H 7 7.799 7.799 8.131 -0.332 19783 4853 1 10 . 1 1 8 8 SER N N 8 121.920 121.920 125.948 -4.028 19783 4854 1 10 . 1 1 8 8 SER HA H 8 4.694 4.694 4.908 -0.214 19783 4855 1 10 . 1 1 8 8 SER C C 8 172.508 172.508 172.308 0.200 19783 4856 1 10 . 1 1 8 8 SER CA C 8 56.801 56.801 57.036 -0.235 19783 4857 1 10 . 1 1 8 8 SER CB C 8 65.356 65.356 64.379 0.977 19783 4858 1 10 . 1 1 8 8 SER H H 8 8.850 8.850 8.953 -0.103 19783 4859 1 10 . 1 1 9 9 VAL N N 9 125.845 125.845 127.154 -1.309 19783 4860 1 10 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.617 -0.008 19783 4861 1 10 . 1 1 9 9 VAL C C 9 174.647 174.647 174.855 -0.208 19783 4862 1 10 . 1 1 9 9 VAL CA C 9 61.730 61.730 60.638 1.092 19783 4863 1 10 . 1 1 9 9 VAL CB C 9 34.372 34.372 33.051 1.321 19783 4864 1 10 . 1 1 9 9 VAL H H 9 8.452 8.452 8.743 -0.291 19783 4865 1 10 . 1 1 10 10 SER N N 10 121.312 121.312 125.660 -4.348 19783 4866 1 10 . 1 1 10 10 SER HA H 10 4.725 4.725 4.872 -0.147 19783 4867 1 10 . 1 1 10 10 SER C C 10 171.784 171.784 172.766 -0.982 19783 4868 1 10 . 1 1 10 10 SER CA C 10 57.060 57.060 57.017 0.042 19783 4869 1 10 . 1 1 10 10 SER CB C 10 65.764 65.764 65.561 0.203 19783 4870 1 10 . 1 1 10 10 SER H H 10 8.624 8.624 9.053 -0.429 19783 4871 1 10 . 1 1 11 11 LEU N N 11 124.101 124.101 126.225 -2.124 19783 4872 1 10 . 1 1 11 11 LEU HA H 11 5.475 5.475 4.850 0.625 19783 4873 1 10 . 1 1 11 11 LEU C C 11 175.894 175.894 176.126 -0.232 19783 4874 1 10 . 1 1 11 11 LEU CA C 11 53.556 53.556 54.068 -0.512 19783 4875 1 10 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.447 2.958 19783 4876 1 10 . 1 1 11 11 LEU H H 11 8.443 8.443 8.733 -0.290 19783 4877 1 10 . 1 1 12 12 LEU N N 12 124.363 124.363 127.607 -3.244 19783 4878 1 10 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.785 -0.206 19783 4879 1 10 . 1 1 12 12 LEU C C 12 175.708 175.708 174.706 1.002 19783 4880 1 10 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.441 0.223 19783 4881 1 10 . 1 1 12 12 LEU CB C 12 43.727 43.727 44.577 -0.850 19783 4882 1 10 . 1 1 12 12 LEU H H 12 8.977 8.977 9.265 -0.288 19783 4883 1 10 . 1 1 13 13 LYS N N 13 121.228 121.228 126.757 -5.529 19783 4884 1 10 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.460 -0.444 19783 4885 1 10 . 1 1 13 13 LYS CA C 13 54.332 54.332 53.673 0.659 19783 4886 1 10 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.542 0.245 19783 4887 1 10 . 1 1 13 13 LYS H H 13 8.151 8.151 8.374 -0.223 19783 4888 1 10 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.590 -0.167 19783 4889 1 10 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.522 -0.117 19783 4890 1 10 . 1 1 15 15 PRO CB C 15 31.948 31.948 31.899 0.049 19783 4891 1 10 . 1 1 16 16 PHE N N 16 123.773 123.773 124.671 -0.898 19783 4892 1 10 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.526 -0.459 19783 4893 1 10 . 1 1 16 16 PHE CA C 16 60.874 60.874 58.862 2.012 19783 4894 1 10 . 1 1 16 16 PHE CB C 16 39.063 39.063 40.441 -1.378 19783 4895 1 10 . 1 1 16 16 PHE H H 16 8.348 8.348 8.458 -0.110 19783 4896 1 10 . 1 1 19 19 ILE HA H 19 3.764 3.764 3.826 -0.062 19783 4897 1 10 . 1 1 19 19 ILE CA C 19 64.709 64.709 61.746 2.963 19783 4898 1 10 . 1 1 19 19 ILE CB C 19 38.630 38.630 37.966 0.664 19783 4899 1 10 . 1 1 19 19 ILE H H 19 8.268 8.268 8.142 0.126 19783 4900 1 10 . 1 1 20 20 TRP N N 20 119.035 119.035 121.256 -2.221 19783 4901 1 10 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.673 0.269 19783 4902 1 10 . 1 1 20 20 TRP C C 20 173.974 173.974 175.284 -1.310 19783 4903 1 10 . 1 1 20 20 TRP CA C 20 55.508 55.508 55.397 0.111 19783 4904 1 10 . 1 1 20 20 TRP CB C 20 29.892 29.892 30.056 -0.164 19783 4905 1 10 . 1 1 20 20 TRP H H 20 8.275 8.275 7.208 1.067 19783 4906 1 10 . 1 1 21 21 THR N N 21 122.056 122.056 119.991 2.065 19783 4907 1 10 . 1 1 21 21 THR HA H 21 4.585 4.585 4.150 0.435 19783 4908 1 10 . 1 1 21 21 THR CB C 21 70.303 70.303 69.652 0.651 19783 4909 1 10 . 1 1 21 21 THR H H 21 8.470 8.470 8.520 -0.050 19783 4910 1 10 . 1 1 23 23 GLN N N 23 123.024 123.024 122.722 0.302 19783 4911 1 10 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.311 -0.162 19783 4912 1 10 . 1 1 23 23 GLN CA C 23 58.179 58.179 57.077 1.102 19783 4913 1 10 . 1 1 23 23 GLN CB C 23 26.860 26.860 29.241 -2.381 19783 4914 1 10 . 1 1 23 23 GLN H H 23 8.638 8.638 8.050 0.588 19783 4915 1 10 . 1 1 24 24 THR N N 24 110.779 110.779 109.302 1.477 19783 4916 1 10 . 1 1 24 24 THR HA H 24 4.785 4.785 4.679 0.106 19783 4917 1 10 . 1 1 24 24 THR CA C 24 60.278 60.278 59.650 0.628 19783 4918 1 10 . 1 1 24 24 THR CB C 24 72.143 72.143 71.569 0.574 19783 4919 1 10 . 1 1 24 24 THR H H 24 7.402 7.402 7.245 0.157 19783 4920 1 10 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.464 -0.371 19783 4921 1 10 . 1 1 25 25 ALA CA C 25 53.882 53.882 51.553 2.329 19783 4922 1 10 . 1 1 25 25 ALA CB C 25 19.459 19.459 19.267 0.192 19783 4923 1 10 . 1 1 26 26 THR N N 26 116.103 116.103 115.889 0.214 19783 4924 1 10 . 1 1 26 26 THR CB C 26 69.894 69.894 69.063 0.831 19783 4925 1 10 . 1 1 26 26 THR H H 26 7.874 7.874 7.438 0.436 19783 4926 1 10 . 1 1 27 27 ILE HA H 27 3.717 3.717 4.095 -0.378 19783 4927 1 10 . 1 1 27 27 ILE CA C 27 60.996 60.996 60.048 0.948 19783 4928 1 10 . 1 1 27 27 ILE CB C 27 39.127 39.127 40.196 -1.069 19783 4929 1 10 . 1 1 27 27 ILE H H 27 8.853 8.853 8.275 0.578 19783 4930 1 10 . 1 1 28 28 VAL N N 28 125.545 125.545 121.990 3.555 19783 4931 1 10 . 1 1 28 28 VAL HA H 28 4.651 4.651 4.735 -0.084 19783 4932 1 10 . 1 1 28 28 VAL C C 28 173.536 173.536 174.001 -0.465 19783 4933 1 10 . 1 1 28 28 VAL CA C 28 62.257 62.257 60.603 1.654 19783 4934 1 10 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.750 -1.564 19783 4935 1 10 . 1 1 28 28 VAL H H 28 7.502 7.502 8.561 -1.059 19783 4936 1 10 . 1 1 29 29 CYS N N 29 128.977 128.977 128.200 0.777 19783 4937 1 10 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.138 0.044 19783 4938 1 10 . 1 1 29 29 CYS C C 29 172.070 172.070 173.223 -1.153 19783 4939 1 10 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.675 -3.295 19783 4940 1 10 . 1 1 29 29 CYS CB C 29 43.709 43.709 28.269 15.440 19783 4941 1 10 . 1 1 29 29 CYS H H 29 9.907 9.907 9.577 0.330 19783 4942 1 10 . 1 1 30 30 GLU N N 30 126.688 126.688 130.511 -3.823 19783 4943 1 10 . 1 1 30 30 GLU HA H 30 4.852 4.852 4.858 -0.006 19783 4944 1 10 . 1 1 30 30 GLU CA C 30 55.742 55.742 55.219 0.523 19783 4945 1 10 . 1 1 30 30 GLU CB C 30 32.387 32.387 31.782 0.606 19783 4946 1 10 . 1 1 30 30 GLU H H 30 9.217 9.217 9.274 -0.057 19783 4947 1 10 . 1 1 31 31 ILE N N 31 130.021 130.021 125.925 4.096 19783 4948 1 10 . 1 1 31 31 ILE HA H 31 4.944 4.944 4.987 -0.043 19783 4949 1 10 . 1 1 31 31 ILE C C 31 174.580 174.580 174.073 0.507 19783 4950 1 10 . 1 1 31 31 ILE CA C 31 60.795 60.795 59.569 1.226 19783 4951 1 10 . 1 1 31 31 ILE CB C 31 40.658 40.658 40.157 0.501 19783 4952 1 10 . 1 1 31 31 ILE H H 31 9.119 9.119 8.583 0.536 19783 4953 1 10 . 1 1 32 32 VAL N N 32 127.671 127.671 125.568 2.103 19783 4954 1 10 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.745 0.479 19783 4955 1 10 . 1 1 32 32 VAL C C 32 176.331 176.331 174.699 1.632 19783 4956 1 10 . 1 1 32 32 VAL CA C 32 61.204 61.204 60.238 0.966 19783 4957 1 10 . 1 1 32 32 VAL CB C 32 34.236 34.236 33.250 0.986 19783 4958 1 10 . 1 1 32 32 VAL H H 32 8.723 8.723 8.702 0.021 19783 4959 1 10 . 1 1 33 33 TYR N N 33 125.563 125.563 122.305 3.258 19783 4960 1 10 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.405 -0.020 19783 4961 1 10 . 1 1 33 33 TYR C C 33 172.424 172.424 173.506 -1.082 19783 4962 1 10 . 1 1 33 33 TYR CA C 33 56.468 56.468 55.125 1.343 19783 4963 1 10 . 1 1 33 33 TYR CB C 33 41.612 41.612 40.498 1.114 19783 4964 1 10 . 1 1 33 33 TYR H H 33 9.114 9.114 8.854 0.260 19783 4965 1 10 . 1 1 34 34 SER N N 34 111.556 111.556 115.132 -3.576 19783 4966 1 10 . 1 1 34 34 SER HA H 34 4.749 4.749 4.669 0.080 19783 4967 1 10 . 1 1 34 34 SER C C 34 174.108 174.108 174.003 0.105 19783 4968 1 10 . 1 1 34 34 SER CA C 34 57.900 57.900 57.472 0.428 19783 4969 1 10 . 1 1 34 34 SER CB C 34 65.956 65.956 64.921 1.035 19783 4970 1 10 . 1 1 34 34 SER H H 34 8.342 8.342 8.787 -0.445 19783 4971 1 10 . 1 1 35 35 ASP N N 35 118.304 118.304 122.825 -4.521 19783 4972 1 10 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.491 -0.126 19783 4973 1 10 . 1 1 35 35 ASP C C 35 175.018 175.018 174.695 0.323 19783 4974 1 10 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.515 1.286 19783 4975 1 10 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.562 -0.205 19783 4976 1 10 . 1 1 35 35 ASP H H 35 8.672 8.672 8.775 -0.103 19783 4977 1 10 . 1 1 36 36 LEU N N 36 117.764 117.764 119.104 -1.340 19783 4978 1 10 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.328 0.196 19783 4979 1 10 . 1 1 36 36 LEU C C 36 177.157 177.157 176.992 0.165 19783 4980 1 10 . 1 1 36 36 LEU CA C 36 55.171 55.171 53.947 1.224 19783 4981 1 10 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.195 0.088 19783 4982 1 10 . 1 1 36 36 LEU H H 36 7.357 7.357 7.680 -0.323 19783 4983 1 10 . 1 1 37 37 GLU N N 37 120.855 120.855 119.928 0.927 19783 4984 1 10 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.462 -0.000 19783 4985 1 10 . 1 1 37 37 GLU C C 37 176.584 176.584 175.227 1.357 19783 4986 1 10 . 1 1 37 37 GLU CA C 37 57.020 57.020 54.327 2.693 19783 4987 1 10 . 1 1 37 37 GLU CB C 37 32.512 32.512 30.979 1.534 19783 4988 1 10 . 1 1 37 37 GLU H H 37 9.557 9.557 8.642 0.915 19783 4989 1 10 . 1 1 38 38 ASN N N 38 122.459 122.459 118.441 4.018 19783 4990 1 10 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.482 0.452 19783 4991 1 10 . 1 1 38 38 ASN C C 38 174.192 174.192 175.509 -1.317 19783 4992 1 10 . 1 1 38 38 ASN CA C 38 52.794 52.794 53.588 -0.794 19783 4993 1 10 . 1 1 38 38 ASN CB C 38 40.087 40.087 38.053 2.034 19783 4994 1 10 . 1 1 38 38 ASN H H 38 9.124 9.124 8.433 0.691 19783 4995 1 10 . 1 1 39 39 ILE N N 39 119.708 119.708 122.622 -2.914 19783 4996 1 10 . 1 1 39 39 ILE HA H 39 4.160 4.160 4.148 0.012 19783 4997 1 10 . 1 1 39 39 ILE C C 39 176.416 176.416 176.462 -0.046 19783 4998 1 10 . 1 1 39 39 ILE CA C 39 62.166 62.166 61.627 0.539 19783 4999 1 10 . 1 1 39 39 ILE CB C 39 38.218 38.218 38.352 -0.134 19783 5000 1 10 . 1 1 39 39 ILE H H 39 7.252 7.252 8.058 -0.806 19783 5001 1 10 . 1 1 40 40 LYS N N 40 128.321 128.321 127.793 0.528 19783 5002 1 10 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.597 -0.194 19783 5003 1 10 . 1 1 40 40 LYS C C 40 173.755 173.755 174.970 -1.215 19783 5004 1 10 . 1 1 40 40 LYS CA C 40 55.056 55.056 55.549 -0.493 19783 5005 1 10 . 1 1 40 40 LYS CB C 40 36.010 36.010 33.613 2.397 19783 5006 1 10 . 1 1 40 40 LYS H H 40 8.760 8.760 8.700 0.060 19783 5007 1 10 . 1 1 41 41 VAL N N 41 121.679 121.679 126.013 -4.334 19783 5008 1 10 . 1 1 41 41 VAL HA H 41 4.760 4.760 4.837 -0.077 19783 5009 1 10 . 1 1 41 41 VAL C C 41 175.405 175.405 175.181 0.224 19783 5010 1 10 . 1 1 41 41 VAL CA C 41 60.873 60.873 61.377 -0.504 19783 5011 1 10 . 1 1 41 41 VAL CB C 41 33.886 33.886 33.723 0.163 19783 5012 1 10 . 1 1 41 41 VAL H H 41 7.902 7.902 8.595 -0.693 19783 5013 1 10 . 1 1 42 42 PHE N N 42 126.800 126.800 126.030 0.770 19783 5014 1 10 . 1 1 42 42 PHE HA H 42 4.869 4.869 5.083 -0.214 19783 5015 1 10 . 1 1 42 42 PHE C C 42 172.340 172.340 173.522 -1.182 19783 5016 1 10 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.934 -0.844 19783 5017 1 10 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.636 -1.646 19783 5018 1 10 . 1 1 42 42 PHE H H 42 9.352 9.352 8.846 0.506 19783 5019 1 10 . 1 1 43 43 TRP N N 43 119.314 119.314 124.584 -5.270 19783 5020 1 10 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.413 0.322 19783 5021 1 10 . 1 1 43 43 TRP C C 43 177.393 177.393 173.995 3.398 19783 5022 1 10 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.479 0.417 19783 5023 1 10 . 1 1 43 43 TRP CB C 43 32.055 32.055 33.042 -0.987 19783 5024 1 10 . 1 1 43 43 TRP H H 43 8.847 8.847 7.897 0.950 19783 5025 1 10 . 1 1 44 44 GLN N N 44 118.782 118.782 121.391 -2.609 19783 5026 1 10 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.504 0.500 19783 5027 1 10 . 1 1 44 44 GLN C C 44 175.035 175.035 173.808 1.227 19783 5028 1 10 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.582 -0.419 19783 5029 1 10 . 1 1 44 44 GLN CB C 44 33.065 33.065 32.932 0.133 19783 5030 1 10 . 1 1 44 44 GLN H H 44 9.376 9.376 8.577 0.799 19783 5031 1 10 . 1 1 45 45 VAL N N 45 121.659 121.659 127.296 -5.637 19783 5032 1 10 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.844 -0.438 19783 5033 1 10 . 1 1 45 45 VAL C C 45 176.921 176.921 175.604 1.317 19783 5034 1 10 . 1 1 45 45 VAL CA C 45 61.827 61.827 59.564 2.263 19783 5035 1 10 . 1 1 45 45 VAL CB C 45 34.260 34.260 32.233 2.027 19783 5036 1 10 . 1 1 45 45 VAL H H 45 8.796 8.796 8.882 -0.086 19783 5037 1 10 . 1 1 46 46 ASN N N 46 128.796 128.796 125.731 3.065 19783 5038 1 10 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.611 -0.228 19783 5039 1 10 . 1 1 46 46 ASN C C 46 175.523 175.523 175.920 -0.397 19783 5040 1 10 . 1 1 46 46 ASN CA C 46 54.279 54.279 54.245 0.034 19783 5041 1 10 . 1 1 46 46 ASN CB C 46 37.485 37.485 36.914 0.571 19783 5042 1 10 . 1 1 46 46 ASN H H 46 9.628 9.628 9.022 0.606 19783 5043 1 10 . 1 1 47 47 GLY N N 47 102.032 102.032 102.569 -0.537 19783 5044 1 10 . 1 1 47 47 GLY C C 47 173.519 173.519 174.180 -0.661 19783 5045 1 10 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.394 0.079 19783 5046 1 10 . 1 1 47 47 GLY H H 47 8.820 8.820 8.562 0.258 19783 5047 1 10 . 1 1 48 48 VAL N N 48 120.265 120.265 123.145 -2.880 19783 5048 1 10 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.186 0.069 19783 5049 1 10 . 1 1 48 48 VAL C C 48 175.691 175.691 175.337 0.354 19783 5050 1 10 . 1 1 48 48 VAL CA C 48 61.080 61.080 60.687 0.393 19783 5051 1 10 . 1 1 48 48 VAL CB C 48 34.420 34.420 32.424 1.996 19783 5052 1 10 . 1 1 48 48 VAL H H 48 7.529 7.529 7.659 -0.130 19783 5053 1 10 . 1 1 49 49 GLU N N 49 128.059 128.059 126.989 1.070 19783 5054 1 10 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.170 0.567 19783 5055 1 10 . 1 1 49 49 GLU C C 49 175.927 175.927 176.342 -0.415 19783 5056 1 10 . 1 1 49 49 GLU CA C 49 57.835 57.835 57.120 0.715 19783 5057 1 10 . 1 1 49 49 GLU CB C 49 29.551 29.551 30.776 -1.225 19783 5058 1 10 . 1 1 49 49 GLU H H 49 8.851 8.851 8.879 -0.028 19783 5059 1 10 . 1 1 50 50 ARG N N 50 128.391 128.391 127.489 0.902 19783 5060 1 10 . 1 1 50 50 ARG CA C 50 54.280 54.280 55.197 -0.917 19783 5061 1 10 . 1 1 50 50 ARG CB C 50 32.304 32.304 30.883 1.421 19783 5062 1 10 . 1 1 50 50 ARG H H 50 8.704 8.704 7.968 0.736 19783 5063 1 10 . 1 1 51 51 LYS N N 51 124.441 124.441 121.651 2.790 19783 5064 1 10 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.224 0.305 19783 5065 1 10 . 1 1 51 51 LYS CA C 51 56.868 56.868 55.720 1.148 19783 5066 1 10 . 1 1 51 51 LYS CB C 51 34.604 34.604 32.786 1.818 19783 5067 1 10 . 1 1 51 51 LYS H H 51 8.772 8.772 8.476 0.296 19783 5068 1 10 . 1 1 52 52 LYS N N 52 122.374 122.374 120.278 2.096 19783 5069 1 10 . 1 1 52 52 LYS HA H 52 4.197 4.197 4.052 0.145 19783 5070 1 10 . 1 1 52 52 LYS C C 52 176.921 176.921 177.853 -0.932 19783 5071 1 10 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.124 0.355 19783 5072 1 10 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.506 0.536 19783 5073 1 10 . 1 1 52 52 LYS H H 52 7.752 7.752 8.364 -0.612 19783 5074 1 10 . 1 1 53 53 GLY N N 53 112.970 112.970 105.444 7.526 19783 5075 1 10 . 1 1 53 53 GLY C C 53 173.872 173.872 173.086 0.786 19783 5076 1 10 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.909 0.747 19783 5077 1 10 . 1 1 53 53 GLY H H 53 8.832 8.832 8.295 0.537 19783 5078 1 10 . 1 1 54 54 VAL N N 54 120.474 120.474 121.092 -0.618 19783 5079 1 10 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.532 -0.050 19783 5080 1 10 . 1 1 54 54 VAL C C 54 176.870 176.870 175.532 1.338 19783 5081 1 10 . 1 1 54 54 VAL CA C 54 62.101 62.101 61.761 0.340 19783 5082 1 10 . 1 1 54 54 VAL CB C 54 33.587 33.587 31.851 1.736 19783 5083 1 10 . 1 1 54 54 VAL H H 54 7.004 7.004 7.715 -0.711 19783 5084 1 10 . 1 1 55 55 GLU N N 55 129.276 129.276 129.187 0.089 19783 5085 1 10 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.672 0.045 19783 5086 1 10 . 1 1 55 55 GLU C C 55 175.068 175.068 175.359 -0.291 19783 5087 1 10 . 1 1 55 55 GLU CA C 55 55.831 55.831 54.713 1.118 19783 5088 1 10 . 1 1 55 55 GLU CB C 55 32.917 32.917 32.150 0.767 19783 5089 1 10 . 1 1 55 55 GLU H H 55 9.091 9.091 9.073 0.018 19783 5090 1 10 . 1 1 56 56 THR N N 56 126.675 126.675 117.647 9.028 19783 5091 1 10 . 1 1 56 56 THR HA H 56 4.881 4.881 5.038 -0.157 19783 5092 1 10 . 1 1 56 56 THR CA C 56 62.268 62.268 61.177 1.091 19783 5093 1 10 . 1 1 56 56 THR CB C 56 69.679 69.679 69.504 0.175 19783 5094 1 10 . 1 1 56 56 THR H H 56 9.162 9.162 8.658 0.504 19783 5095 1 10 . 1 1 57 57 GLN N N 57 127.368 127.368 125.746 1.622 19783 5096 1 10 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.384 0.005 19783 5097 1 10 . 1 1 57 57 GLN C C 57 175.254 175.254 175.980 -0.726 19783 5098 1 10 . 1 1 57 57 GLN CA C 57 55.285 55.285 55.240 0.045 19783 5099 1 10 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.432 0.073 19783 5100 1 10 . 1 1 57 57 GLN H H 57 8.638 8.638 8.693 -0.055 19783 5101 1 10 . 1 1 58 58 ASN N N 58 118.031 118.031 122.082 -4.051 19783 5102 1 10 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.729 0.111 19783 5103 1 10 . 1 1 58 58 ASN CA C 58 52.081 52.081 51.590 0.492 19783 5104 1 10 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.939 -1.646 19783 5105 1 10 . 1 1 58 58 ASN H H 58 8.398 8.398 8.615 -0.217 19783 5106 1 10 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.401 0.214 19783 5107 1 10 . 1 1 59 59 PRO CA C 59 63.453 63.453 63.765 -0.312 19783 5108 1 10 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.423 -0.161 19783 5109 1 10 . 1 1 60 60 GLU N N 60 122.445 122.445 123.543 -1.098 19783 5110 1 10 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.737 -0.099 19783 5111 1 10 . 1 1 60 60 GLU C C 60 175.574 175.574 175.514 0.060 19783 5112 1 10 . 1 1 60 60 GLU CA C 60 54.797 54.797 54.578 0.219 19783 5113 1 10 . 1 1 60 60 GLU CB C 60 32.614 32.614 32.695 -0.081 19783 5114 1 10 . 1 1 60 60 GLU H H 60 8.704 8.704 8.669 0.035 19783 5115 1 10 . 1 1 61 61 TRP N N 61 125.833 125.833 129.443 -3.610 19783 5116 1 10 . 1 1 61 61 TRP HA H 61 5.060 5.060 5.001 0.059 19783 5117 1 10 . 1 1 61 61 TRP C C 61 176.651 176.651 175.704 0.947 19783 5118 1 10 . 1 1 61 61 TRP CA C 61 57.163 57.163 56.837 0.326 19783 5119 1 10 . 1 1 61 61 TRP CB C 61 30.886 30.886 29.795 1.091 19783 5120 1 10 . 1 1 61 61 TRP H H 61 8.817 8.817 8.883 -0.066 19783 5121 1 10 . 1 1 62 62 SER N N 62 120.682 120.682 124.663 -3.981 19783 5122 1 10 . 1 1 62 62 SER HA H 62 4.424 4.424 4.806 -0.382 19783 5123 1 10 . 1 1 62 62 SER C C 62 174.614 174.614 175.093 -0.479 19783 5124 1 10 . 1 1 62 62 SER CA C 62 57.422 57.422 58.184 -0.763 19783 5125 1 10 . 1 1 62 62 SER CB C 62 64.113 64.113 63.112 1.001 19783 5126 1 10 . 1 1 62 62 SER H H 62 8.551 8.551 8.545 0.006 19783 5127 1 10 . 1 1 63 63 GLY N N 63 112.655 112.655 117.133 -4.478 19783 5128 1 10 . 1 1 63 63 GLY CA C 63 46.488 46.488 46.763 -0.275 19783 5129 1 10 . 1 1 63 63 GLY H H 63 6.895 6.895 8.716 -1.821 19783 5130 1 10 . 1 1 64 64 SER HA H 64 4.347 4.347 5.040 -0.693 19783 5131 1 10 . 1 1 64 64 SER CA C 64 59.027 59.027 58.029 0.998 19783 5132 1 10 . 1 1 64 64 SER CB C 64 63.975 63.975 63.828 0.147 19783 5133 1 10 . 1 1 65 65 LYS N N 65 120.463 120.463 120.950 -0.487 19783 5134 1 10 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.579 -0.096 19783 5135 1 10 . 1 1 65 65 LYS C C 65 174.816 174.816 174.392 0.424 19783 5136 1 10 . 1 1 65 65 LYS CA C 65 54.862 54.862 54.522 0.340 19783 5137 1 10 . 1 1 65 65 LYS CB C 65 35.788 35.788 35.974 -0.186 19783 5138 1 10 . 1 1 65 65 LYS H H 65 7.441 7.441 7.869 -0.428 19783 5139 1 10 . 1 1 66 66 SER N N 66 117.984 117.984 115.852 2.132 19783 5140 1 10 . 1 1 66 66 SER HA H 66 4.999 4.999 4.243 0.756 19783 5141 1 10 . 1 1 66 66 SER C C 66 172.205 172.205 173.270 -1.065 19783 5142 1 10 . 1 1 66 66 SER CA C 66 57.739 57.739 57.726 0.013 19783 5143 1 10 . 1 1 66 66 SER CB C 66 64.876 64.876 64.498 0.378 19783 5144 1 10 . 1 1 66 66 SER H H 66 8.522 8.522 8.590 -0.068 19783 5145 1 10 . 1 1 67 67 THR N N 67 115.663 115.663 120.064 -4.401 19783 5146 1 10 . 1 1 67 67 THR HA H 67 5.608 5.608 4.785 0.823 19783 5147 1 10 . 1 1 67 67 THR C C 67 175.102 175.102 172.969 2.133 19783 5148 1 10 . 1 1 67 67 THR CA C 67 60.739 60.739 61.686 -0.947 19783 5149 1 10 . 1 1 67 67 THR CB C 67 72.013 72.013 70.297 1.716 19783 5150 1 10 . 1 1 67 67 THR H H 67 8.354 8.354 8.556 -0.202 19783 5151 1 10 . 1 1 68 68 ILE N N 68 127.394 127.394 128.651 -1.257 19783 5152 1 10 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.432 -0.129 19783 5153 1 10 . 1 1 68 68 ILE C C 68 173.519 173.519 173.952 -0.433 19783 5154 1 10 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.557 1.719 19783 5155 1 10 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.321 1.806 19783 5156 1 10 . 1 1 68 68 ILE H H 68 9.529 9.529 8.788 0.741 19783 5157 1 10 . 1 1 69 69 VAL N N 69 125.903 125.903 127.908 -2.005 19783 5158 1 10 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.550 0.307 19783 5159 1 10 . 1 1 69 69 VAL C C 69 174.917 174.917 175.184 -0.267 19783 5160 1 10 . 1 1 69 69 VAL CA C 69 61.241 61.241 61.352 -0.111 19783 5161 1 10 . 1 1 69 69 VAL CB C 69 34.136 34.136 33.158 0.978 19783 5162 1 10 . 1 1 69 69 VAL H H 69 7.253 7.253 8.534 -1.281 19783 5163 1 10 . 1 1 70 70 SER N N 70 121.681 121.681 124.820 -3.139 19783 5164 1 10 . 1 1 70 70 SER HA H 70 5.397 5.397 5.164 0.233 19783 5165 1 10 . 1 1 70 70 SER C C 70 173.047 173.047 172.873 0.174 19783 5166 1 10 . 1 1 70 70 SER CA C 70 56.407 56.407 57.964 -1.556 19783 5167 1 10 . 1 1 70 70 SER CB C 70 64.832 64.832 64.237 0.595 19783 5168 1 10 . 1 1 70 70 SER H H 70 9.302 9.302 9.361 -0.059 19783 5169 1 10 . 1 1 71 71 LYS N N 71 127.421 127.421 127.678 -0.257 19783 5170 1 10 . 1 1 71 71 LYS HA H 71 5.360 5.360 5.007 0.353 19783 5171 1 10 . 1 1 71 71 LYS C C 71 173.603 173.603 174.070 -0.467 19783 5172 1 10 . 1 1 71 71 LYS CA C 71 54.771 54.771 54.732 0.039 19783 5173 1 10 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.866 0.242 19783 5174 1 10 . 1 1 71 71 LYS H H 71 9.029 9.029 9.129 -0.100 19783 5175 1 10 . 1 1 72 72 LEU N N 72 124.252 124.252 124.880 -0.628 19783 5176 1 10 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.600 -0.318 19783 5177 1 10 . 1 1 72 72 LEU C C 72 174.075 174.075 175.240 -1.165 19783 5178 1 10 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.855 0.145 19783 5179 1 10 . 1 1 72 72 LEU CB C 72 41.516 41.516 43.957 -2.441 19783 5180 1 10 . 1 1 72 72 LEU H H 72 8.407 8.407 8.950 -0.543 19783 5181 1 10 . 1 1 73 73 LYS N N 73 128.141 128.141 128.004 0.137 19783 5182 1 10 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.367 0.411 19783 5183 1 10 . 1 1 73 73 LYS C C 73 176.331 176.331 174.492 1.839 19783 5184 1 10 . 1 1 73 73 LYS CA C 73 55.250 55.250 55.762 -0.512 19783 5185 1 10 . 1 1 73 73 LYS CB C 73 33.333 33.333 32.900 0.433 19783 5186 1 10 . 1 1 73 73 LYS H H 73 8.090 8.090 8.702 -0.612 19783 5187 1 10 . 1 1 74 74 VAL N N 74 121.453 121.453 123.487 -2.034 19783 5188 1 10 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.347 0.285 19783 5189 1 10 . 1 1 74 74 VAL C C 74 175.590 175.590 174.215 1.375 19783 5190 1 10 . 1 1 74 74 VAL CA C 74 58.455 58.455 59.892 -1.437 19783 5191 1 10 . 1 1 74 74 VAL CB C 74 35.744 35.744 35.262 0.482 19783 5192 1 10 . 1 1 74 74 VAL H H 74 8.730 8.730 8.168 0.561 19783 5193 1 10 . 1 1 75 75 MET N N 75 119.151 119.151 122.635 -3.484 19783 5194 1 10 . 1 1 75 75 MET HA H 75 4.560 4.560 4.531 0.029 19783 5195 1 10 . 1 1 75 75 MET CA C 75 55.753 55.753 56.167 -0.414 19783 5196 1 10 . 1 1 75 75 MET CB C 75 32.563 32.563 32.774 -0.211 19783 5197 1 10 . 1 1 75 75 MET H H 75 8.724 8.724 8.651 0.073 19783 5198 1 10 . 1 1 76 76 ALA N N 76 127.351 127.351 128.653 -1.302 19783 5199 1 10 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.080 -0.338 19783 5200 1 10 . 1 1 76 76 ALA C C 76 178.487 178.487 179.887 -1.400 19783 5201 1 10 . 1 1 76 76 ALA CA C 76 55.953 55.953 55.717 0.236 19783 5202 1 10 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.205 -0.211 19783 5203 1 10 . 1 1 76 76 ALA H H 76 8.460 8.460 8.848 -0.388 19783 5204 1 10 . 1 1 77 77 SER N N 77 110.202 110.202 112.545 -2.343 19783 5205 1 10 . 1 1 77 77 SER HA H 77 4.149 4.149 4.257 -0.108 19783 5206 1 10 . 1 1 77 77 SER C C 77 176.550 176.550 177.016 -0.466 19783 5207 1 10 . 1 1 77 77 SER CA C 77 60.894 60.894 61.472 -0.578 19783 5208 1 10 . 1 1 77 77 SER CB C 77 61.996 61.996 62.715 -0.719 19783 5209 1 10 . 1 1 77 77 SER H H 77 8.460 8.460 8.484 -0.024 19783 5210 1 10 . 1 1 78 78 GLU N N 78 124.828 124.828 121.694 3.134 19783 5211 1 10 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.179 -0.029 19783 5212 1 10 . 1 1 78 78 GLU C C 78 179.599 179.599 178.572 1.027 19783 5213 1 10 . 1 1 78 78 GLU CA C 78 59.118 59.118 58.630 0.488 19783 5214 1 10 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.135 2.237 19783 5215 1 10 . 1 1 78 78 GLU H H 78 7.336 7.336 7.676 -0.340 19783 5216 1 10 . 1 1 79 79 TRP N N 79 123.252 123.252 121.976 1.276 19783 5217 1 10 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.378 0.256 19783 5218 1 10 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.353 1.441 19783 5219 1 10 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.705 -0.237 19783 5220 1 10 . 1 1 79 79 TRP H H 79 7.469 7.469 8.387 -0.918 19783 5221 1 10 . 1 1 80 80 ASP N N 80 116.114 116.114 118.326 -2.212 19783 5222 1 10 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.263 0.030 19783 5223 1 10 . 1 1 80 80 ASP C C 80 177.174 177.174 177.284 -0.110 19783 5224 1 10 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.031 0.576 19783 5225 1 10 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.403 0.931 19783 5226 1 10 . 1 1 80 80 ASP H H 80 8.816 8.816 8.485 0.331 19783 5227 1 10 . 1 1 81 81 SER N N 81 112.692 112.692 111.868 0.824 19783 5228 1 10 . 1 1 81 81 SER HA H 81 4.338 4.338 4.399 -0.061 19783 5229 1 10 . 1 1 81 81 SER C C 81 175.203 175.203 175.098 0.105 19783 5230 1 10 . 1 1 81 81 SER CA C 81 59.645 59.645 58.056 1.589 19783 5231 1 10 . 1 1 81 81 SER CB C 81 64.055 64.055 63.618 0.437 19783 5232 1 10 . 1 1 81 81 SER H H 81 7.393 7.393 7.444 -0.051 19783 5233 1 10 . 1 1 82 82 GLY N N 82 108.811 108.811 109.577 -0.766 19783 5234 1 10 . 1 1 82 82 GLY C C 82 173.687 173.687 174.865 -1.178 19783 5235 1 10 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.676 0.544 19783 5236 1 10 . 1 1 82 82 GLY H H 82 7.587 7.587 7.611 -0.024 19783 5237 1 10 . 1 1 83 83 THR N N 83 116.253 116.253 115.385 0.868 19783 5238 1 10 . 1 1 83 83 THR HA H 83 3.668 3.668 4.169 -0.501 19783 5239 1 10 . 1 1 83 83 THR C C 83 170.908 170.908 175.037 -4.129 19783 5240 1 10 . 1 1 83 83 THR CA C 83 63.674 63.674 63.890 -0.216 19783 5241 1 10 . 1 1 83 83 THR CB C 83 70.037 70.037 70.187 -0.150 19783 5242 1 10 . 1 1 83 83 THR H H 83 6.788 6.788 7.417 -0.629 19783 5243 1 10 . 1 1 84 84 GLU N N 84 124.967 124.967 126.200 -1.233 19783 5244 1 10 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.415 0.262 19783 5245 1 10 . 1 1 84 84 GLU C C 84 174.462 174.462 175.685 -1.223 19783 5246 1 10 . 1 1 84 84 GLU CA C 84 55.508 55.508 56.955 -1.447 19783 5247 1 10 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.177 1.867 19783 5248 1 10 . 1 1 84 84 GLU H H 84 8.006 8.006 8.414 -0.408 19783 5249 1 10 . 1 1 85 85 TYR N N 85 127.327 127.327 125.277 2.050 19783 5250 1 10 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.310 -0.361 19783 5251 1 10 . 1 1 85 85 TYR C C 85 174.563 174.563 174.196 0.367 19783 5252 1 10 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.405 1.044 19783 5253 1 10 . 1 1 85 85 TYR CB C 85 41.291 41.291 41.666 -0.375 19783 5254 1 10 . 1 1 85 85 TYR H H 85 8.993 8.993 8.149 0.844 19783 5255 1 10 . 1 1 86 86 VAL N N 86 121.985 121.985 124.521 -2.536 19783 5256 1 10 . 1 1 86 86 VAL HA H 86 4.884 4.884 4.793 0.091 19783 5257 1 10 . 1 1 86 86 VAL C C 86 173.822 173.822 173.797 0.025 19783 5258 1 10 . 1 1 86 86 VAL CA C 86 60.701 60.701 60.739 -0.038 19783 5259 1 10 . 1 1 86 86 VAL CB C 86 35.536 35.536 34.863 0.673 19783 5260 1 10 . 1 1 86 86 VAL H H 86 8.873 8.873 8.487 0.386 19783 5261 1 10 . 1 1 87 87 CYS N N 87 127.376 127.376 126.365 1.011 19783 5262 1 10 . 1 1 87 87 CYS HA H 87 3.909 3.909 4.578 -0.669 19783 5263 1 10 . 1 1 87 87 CYS C C 87 171.211 171.211 172.959 -1.748 19783 5264 1 10 . 1 1 87 87 CYS CA C 87 52.879 52.879 55.586 -2.707 19783 5265 1 10 . 1 1 87 87 CYS CB C 87 44.008 44.008 27.451 16.557 19783 5266 1 10 . 1 1 87 87 CYS H H 87 8.312 8.312 8.923 -0.611 19783 5267 1 10 . 1 1 88 88 LEU N N 88 127.118 127.118 129.301 -2.183 19783 5268 1 10 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.609 -0.663 19783 5269 1 10 . 1 1 88 88 LEU C C 88 173.957 173.957 175.700 -1.743 19783 5270 1 10 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.474 1.030 19783 5271 1 10 . 1 1 88 88 LEU CB C 88 45.537 45.537 46.128 -0.591 19783 5272 1 10 . 1 1 88 88 LEU H H 88 8.837 8.837 9.015 -0.178 19783 5273 1 10 . 1 1 89 89 VAL N N 89 120.421 120.421 122.735 -2.314 19783 5274 1 10 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.611 0.253 19783 5275 1 10 . 1 1 89 89 VAL C C 89 174.580 174.580 174.701 -0.121 19783 5276 1 10 . 1 1 89 89 VAL CA C 89 60.421 60.421 61.638 -1.217 19783 5277 1 10 . 1 1 89 89 VAL CB C 89 34.505 34.505 35.050 -0.545 19783 5278 1 10 . 1 1 89 89 VAL H H 89 8.687 8.687 9.123 -0.436 19783 5279 1 10 . 1 1 90 90 GLU N N 90 122.482 122.482 127.840 -5.358 19783 5280 1 10 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.759 0.064 19783 5281 1 10 . 1 1 90 90 GLU C C 90 174.664 174.664 173.981 0.683 19783 5282 1 10 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.645 -0.443 19783 5283 1 10 . 1 1 90 90 GLU CB C 90 34.685 34.685 33.380 1.304 19783 5284 1 10 . 1 1 90 90 GLU H H 90 8.551 8.551 8.941 -0.390 19783 5285 1 10 . 1 1 91 91 ASP N N 91 119.348 119.348 122.197 -2.849 19783 5286 1 10 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.841 -0.097 19783 5287 1 10 . 1 1 91 91 ASP C C 91 176.921 176.921 176.259 0.662 19783 5288 1 10 . 1 1 91 91 ASP CA C 91 54.603 54.603 53.204 1.399 19783 5289 1 10 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.249 4.309 19783 5290 1 10 . 1 1 91 91 ASP H H 91 7.980 7.980 8.561 -0.581 19783 5291 1 10 . 1 1 92 92 SER N N 92 121.504 121.504 118.853 2.651 19783 5292 1 10 . 1 1 92 92 SER HA H 92 4.158 4.158 4.272 -0.114 19783 5293 1 10 . 1 1 92 92 SER C C 92 175.574 175.574 175.234 0.340 19783 5294 1 10 . 1 1 92 92 SER CA C 92 61.803 61.803 60.346 1.458 19783 5295 1 10 . 1 1 92 92 SER CB C 92 62.911 62.911 62.722 0.189 19783 5296 1 10 . 1 1 92 92 SER H H 92 7.973 7.973 8.934 -0.961 19783 5297 1 10 . 1 1 93 93 GLU N N 93 121.008 121.008 118.968 2.040 19783 5298 1 10 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.442 -0.153 19783 5299 1 10 . 1 1 93 93 GLU C C 93 176.517 176.517 176.168 0.349 19783 5300 1 10 . 1 1 93 93 GLU CA C 93 56.610 56.610 55.186 1.424 19783 5301 1 10 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.042 -0.067 19783 5302 1 10 . 1 1 93 93 GLU H H 93 9.782 9.782 8.476 1.306 19783 5303 1 10 . 1 1 94 94 LEU N N 94 121.375 121.375 119.771 1.604 19783 5304 1 10 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.853 -0.068 19783 5305 1 10 . 1 1 94 94 LEU CA C 94 51.759 51.759 51.453 0.305 19783 5306 1 10 . 1 1 94 94 LEU CB C 94 42.854 42.854 41.675 1.179 19783 5307 1 10 . 1 1 94 94 LEU H H 94 7.802 7.802 7.415 0.387 19783 5308 1 10 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.470 -0.185 19783 5309 1 10 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.695 1.112 19783 5310 1 10 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.273 0.027 19783 5311 1 10 . 1 1 96 96 THR N N 96 109.657 109.657 110.918 -1.261 19783 5312 1 10 . 1 1 96 96 THR HA H 96 4.499 4.499 4.730 -0.231 19783 5313 1 10 . 1 1 96 96 THR CA C 96 58.673 58.673 58.978 -0.305 19783 5314 1 10 . 1 1 96 96 THR CB C 96 70.994 70.994 71.755 -0.761 19783 5315 1 10 . 1 1 96 96 THR H H 96 7.094 7.094 7.843 -0.749 19783 5316 1 10 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.530 0.216 19783 5317 1 10 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.692 0.602 19783 5318 1 10 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.425 0.544 19783 5319 1 10 . 1 1 98 98 VAL N N 98 122.997 122.997 123.185 -0.188 19783 5320 1 10 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.229 -0.021 19783 5321 1 10 . 1 1 98 98 VAL C C 98 173.923 173.923 175.216 -1.293 19783 5322 1 10 . 1 1 98 98 VAL CA C 98 61.972 61.972 61.506 0.466 19783 5323 1 10 . 1 1 98 98 VAL CB C 98 33.468 33.468 31.436 2.032 19783 5324 1 10 . 1 1 98 98 VAL H H 98 8.358 8.358 8.660 -0.302 19783 5325 1 10 . 1 1 99 99 LYS N N 99 122.194 122.194 125.560 -3.366 19783 5326 1 10 . 1 1 99 99 LYS HA H 99 5.482 5.482 5.614 -0.132 19783 5327 1 10 . 1 1 99 99 LYS C C 99 174.984 174.984 174.973 0.011 19783 5328 1 10 . 1 1 99 99 LYS CA C 99 54.322 54.322 53.826 0.496 19783 5329 1 10 . 1 1 99 99 LYS CB C 99 37.320 37.320 36.044 1.276 19783 5330 1 10 . 1 1 99 99 LYS H H 99 8.340 8.340 8.386 -0.046 19783 5331 1 10 . 1 1 100 100 ALA N N 100 123.875 123.875 123.881 -0.006 19783 5332 1 10 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.558 0.080 19783 5333 1 10 . 1 1 100 100 ALA C C 100 174.243 174.243 174.877 -0.634 19783 5334 1 10 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.645 -0.253 19783 5335 1 10 . 1 1 100 100 ALA CB C 100 23.012 23.012 21.164 1.848 19783 5336 1 10 . 1 1 100 100 ALA H H 100 8.600 8.600 8.597 0.003 19783 5337 1 10 . 1 1 101 101 SER N N 101 114.189 114.189 116.821 -2.632 19783 5338 1 10 . 1 1 101 101 SER HA H 101 5.761 5.761 5.665 0.096 19783 5339 1 10 . 1 1 101 101 SER C C 101 173.519 173.519 173.938 -0.419 19783 5340 1 10 . 1 1 101 101 SER CA C 101 56.346 56.346 56.259 0.087 19783 5341 1 10 . 1 1 101 101 SER CB C 101 67.504 67.504 65.354 2.150 19783 5342 1 10 . 1 1 101 101 SER H H 101 8.367 8.367 8.393 -0.026 19783 5343 1 10 . 1 1 102 102 ILE N N 102 121.742 121.742 124.359 -2.617 19783 5344 1 10 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.586 0.192 19783 5345 1 10 . 1 1 102 102 ILE C C 102 170.824 170.824 174.006 -3.182 19783 5346 1 10 . 1 1 102 102 ILE CA C 102 61.198 61.198 59.990 1.208 19783 5347 1 10 . 1 1 102 102 ILE CB C 102 41.820 41.820 41.715 0.105 19783 5348 1 10 . 1 1 102 102 ILE H H 102 9.317 9.317 9.239 0.078 19783 5349 1 10 . 1 1 103 103 ARG N N 103 120.111 120.111 125.658 -5.547 19783 5350 1 10 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.709 -0.128 19783 5351 1 10 . 1 1 103 103 ARG C C 103 174.411 174.411 174.928 -0.517 19783 5352 1 10 . 1 1 103 103 ARG CA C 103 54.474 54.474 54.889 -0.416 19783 5353 1 10 . 1 1 103 103 ARG CB C 103 34.589 34.589 33.466 1.123 19783 5354 1 10 . 1 1 103 103 ARG H H 103 7.525 7.525 8.545 -1.020 19783 5355 1 10 . 1 1 104 104 LYS N N 104 126.177 126.177 122.519 3.658 19783 5356 1 10 . 1 1 104 104 LYS HA H 104 3.614 3.614 4.211 -0.597 19783 5357 1 10 . 1 1 104 104 LYS C C 104 175.287 175.287 175.378 -0.091 19783 5358 1 10 . 1 1 104 104 LYS CA C 104 58.288 58.288 55.603 2.685 19783 5359 1 10 . 1 1 104 104 LYS CB C 104 32.169 32.169 32.610 -0.441 19783 5360 1 10 . 1 1 104 104 LYS H H 104 9.077 9.077 8.223 0.854 19783 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 89 3.222 0.651 3.173 19783 2 1 1 "Average Difference" HA 102 0.324 0.041 0.323 19783 3 1 1 "Average Difference" C 73 1.206 0.155 1.204 19783 4 1 1 "Average Difference" CA 97 1.233 -0.426 1.163 19783 5 1 1 "Average Difference" CB 94 2.723 -0.758 2.630 19783 6 1 1 "Average Difference" HN 91 0.572 0.042 0.573 19783 7 1 2 "Average Difference" N 89 3.063 0.393 3.055 19783 8 1 2 "Average Difference" HA 102 0.304 -0.009 0.305 19783 9 1 2 "Average Difference" C 73 1.155 0.095 1.159 19783 10 1 2 "Average Difference" CA 97 1.150 -0.368 1.095 19783 11 1 2 "Average Difference" CB 94 2.662 -0.806 2.550 19783 12 1 2 "Average Difference" HN 91 0.573 0.038 0.575 19783 13 1 3 "Average Difference" N 89 3.310 0.417 3.303 19783 14 1 3 "Average Difference" HA 102 0.309 0.004 0.310 19783 15 1 3 "Average Difference" C 73 1.082 0.066 1.087 19783 16 1 3 "Average Difference" CA 97 1.156 -0.412 1.085 19783 17 1 3 "Average Difference" CB 94 2.567 -0.766 2.463 19783 18 1 3 "Average Difference" HN 91 0.538 0.054 0.538 19783 19 1 4 "Average Difference" N 89 3.260 0.264 3.267 19783 20 1 4 "Average Difference" HA 102 0.311 -0.017 0.313 19783 21 1 4 "Average Difference" C 73 1.129 0.074 1.134 19783 22 1 4 "Average Difference" CA 97 1.182 -0.351 1.134 19783 23 1 4 "Average Difference" CB 94 2.599 -0.724 2.510 19783 24 1 4 "Average Difference" HN 91 0.599 0.006 0.602 19783 25 1 5 "Average Difference" N 89 3.166 0.411 3.158 19783 26 1 5 "Average Difference" HA 102 0.300 0.026 0.301 19783 27 1 5 "Average Difference" C 73 1.193 0.072 1.199 19783 28 1 5 "Average Difference" CA 97 1.190 -0.337 1.147 19783 29 1 5 "Average Difference" CB 94 2.643 -0.716 2.557 19783 30 1 5 "Average Difference" HN 91 0.574 0.032 0.576 19783 31 1 6 "Average Difference" N 89 3.500 0.445 3.491 19783 32 1 6 "Average Difference" HA 102 0.301 0.019 0.302 19783 33 1 6 "Average Difference" C 73 1.113 0.126 1.114 19783 34 1 6 "Average Difference" CA 97 1.149 -0.385 1.088 19783 35 1 6 "Average Difference" CB 94 2.657 -0.824 2.540 19783 36 1 6 "Average Difference" HN 91 0.544 0.074 0.542 19783 37 1 7 "Average Difference" N 89 3.181 0.418 3.171 19783 38 1 7 "Average Difference" HA 102 0.307 0.014 0.308 19783 39 1 7 "Average Difference" C 73 1.153 0.181 1.147 19783 40 1 7 "Average Difference" CA 97 1.179 -0.379 1.122 19783 41 1 7 "Average Difference" CB 94 2.559 -0.833 2.433 19783 42 1 7 "Average Difference" HN 91 0.572 0.034 0.575 19783 43 1 8 "Average Difference" N 89 3.118 0.589 3.079 19783 44 1 8 "Average Difference" HA 102 0.340 0.042 0.339 19783 45 1 8 "Average Difference" C 73 1.175 0.069 1.181 19783 46 1 8 "Average Difference" CA 97 1.233 -0.395 1.174 19783 47 1 8 "Average Difference" CB 94 2.590 -0.605 2.532 19783 48 1 8 "Average Difference" HN 91 0.567 0.072 0.565 19783 49 1 9 "Average Difference" N 89 2.887 0.375 2.878 19783 50 1 9 "Average Difference" HA 102 0.315 0.024 0.316 19783 51 1 9 "Average Difference" C 73 1.114 0.173 1.108 19783 52 1 9 "Average Difference" CA 97 1.216 -0.435 1.141 19783 53 1 9 "Average Difference" CB 94 2.576 -0.697 2.494 19783 54 1 9 "Average Difference" HN 91 0.568 0.043 0.569 19783 55 1 10 "Average Difference" N 89 3.127 0.772 3.047 19783 56 1 10 "Average Difference" HA 102 0.307 -0.010 0.309 19783 57 1 10 "Average Difference" C 73 1.139 0.156 1.136 19783 58 1 10 "Average Difference" CA 97 1.113 -0.314 1.073 19783 59 1 10 "Average Difference" CB 94 2.629 -0.798 2.519 19783 60 1 10 "Average Difference" HN 91 0.551 0.034 0.553 19783 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 19783 _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 GLY CA C 2 43.533 43.533 44.921 -1.388 19783 2 1 . 1 1 3 3 ARG HA H 3 4.368 4.368 4.284 0.084 19783 3 1 . 1 1 3 3 ARG CA C 3 56.394 56.394 56.293 0.101 19783 4 1 . 1 1 3 3 ARG CB C 3 31.358 31.358 30.197 1.161 19783 5 1 . 1 1 4 4 GLN N N 4 122.771 122.771 118.794 3.977 19783 6 1 . 1 1 4 4 GLN HA H 4 4.393 4.393 4.235 0.158 19783 7 1 . 1 1 4 4 GLN C C 4 175.843 175.843 175.740 0.103 19783 8 1 . 1 1 4 4 GLN CA C 4 56.155 56.155 56.867 -0.712 19783 9 1 . 1 1 4 4 GLN CB C 4 29.413 29.413 28.873 0.540 19783 10 1 . 1 1 4 4 GLN H H 4 8.899 8.899 8.276 0.623 19783 11 1 . 1 1 5 5 THR N N 5 115.866 115.866 118.758 -2.892 19783 12 1 . 1 1 5 5 THR HA H 5 4.276 4.276 4.435 -0.159 19783 13 1 . 1 1 5 5 THR C C 5 173.957 173.957 173.486 0.471 19783 14 1 . 1 1 5 5 THR CA C 5 62.295 62.295 61.713 0.582 19783 15 1 . 1 1 5 5 THR CB C 5 69.957 69.957 68.831 1.127 19783 16 1 . 1 1 5 5 THR H H 5 8.063 8.063 8.049 0.014 19783 17 1 . 1 1 6 6 ASP N N 6 124.653 124.653 129.152 -4.499 19783 18 1 . 1 1 6 6 ASP HA H 6 4.750 4.750 4.831 -0.080 19783 19 1 . 1 1 6 6 ASP C C 6 174.159 174.159 174.248 -0.089 19783 20 1 . 1 1 6 6 ASP CA C 6 54.022 54.022 53.746 0.276 19783 21 1 . 1 1 6 6 ASP CB C 6 41.741 41.741 42.249 -0.508 19783 22 1 . 1 1 6 6 ASP H H 6 8.499 8.499 8.281 0.218 19783 23 1 . 1 1 7 7 ILE N N 7 119.741 119.741 125.721 -5.980 19783 24 1 . 1 1 7 7 ILE HA H 7 4.992 4.992 4.981 0.011 19783 25 1 . 1 1 7 7 ILE C C 7 173.334 173.334 174.366 -1.032 19783 26 1 . 1 1 7 7 ILE CA C 7 60.213 60.213 59.914 0.299 19783 27 1 . 1 1 7 7 ILE CB C 7 40.206 40.206 40.380 -0.174 19783 28 1 . 1 1 7 7 ILE H H 7 7.799 7.799 8.305 -0.506 19783 29 1 . 1 1 8 8 SER N N 8 121.920 121.920 125.812 -3.892 19783 30 1 . 1 1 8 8 SER HA H 8 4.694 4.694 4.823 -0.129 19783 31 1 . 1 1 8 8 SER C C 8 172.508 172.508 172.605 -0.097 19783 32 1 . 1 1 8 8 SER CA C 8 56.801 56.801 57.149 -0.348 19783 33 1 . 1 1 8 8 SER CB C 8 65.356 65.356 64.549 0.807 19783 34 1 . 1 1 8 8 SER H H 8 8.850 8.850 8.982 -0.132 19783 35 1 . 1 1 9 9 VAL N N 9 125.845 125.845 127.407 -1.562 19783 36 1 . 1 1 9 9 VAL HA H 9 4.609 4.609 4.584 0.025 19783 37 1 . 1 1 9 9 VAL C C 9 174.647 174.647 175.080 -0.433 19783 38 1 . 1 1 9 9 VAL CA C 9 61.730 61.730 61.043 0.687 19783 39 1 . 1 1 9 9 VAL CB C 9 34.372 34.372 33.317 1.055 19783 40 1 . 1 1 9 9 VAL H H 9 8.452 8.452 8.633 -0.181 19783 41 1 . 1 1 10 10 SER N N 10 121.312 121.312 125.178 -3.866 19783 42 1 . 1 1 10 10 SER HA H 10 4.725 4.725 4.793 -0.068 19783 43 1 . 1 1 10 10 SER C C 10 171.784 171.784 172.649 -0.865 19783 44 1 . 1 1 10 10 SER CA C 10 57.060 57.060 56.844 0.216 19783 45 1 . 1 1 10 10 SER CB C 10 65.764 65.764 64.959 0.805 19783 46 1 . 1 1 10 10 SER H H 10 8.624 8.624 8.977 -0.353 19783 47 1 . 1 1 11 11 LEU N N 11 124.101 124.101 126.585 -2.484 19783 48 1 . 1 1 11 11 LEU HA H 11 5.475 5.475 4.996 0.479 19783 49 1 . 1 1 11 11 LEU C C 11 175.894 175.894 176.225 -0.331 19783 50 1 . 1 1 11 11 LEU CA C 11 53.556 53.556 54.021 -0.466 19783 51 1 . 1 1 11 11 LEU CB C 11 46.405 46.405 43.370 3.035 19783 52 1 . 1 1 11 11 LEU H H 11 8.443 8.443 8.727 -0.284 19783 53 1 . 1 1 12 12 LEU N N 12 124.363 124.363 127.239 -2.877 19783 54 1 . 1 1 12 12 LEU HA H 12 4.579 4.579 4.749 -0.170 19783 55 1 . 1 1 12 12 LEU C C 12 175.708 175.708 174.959 0.749 19783 56 1 . 1 1 12 12 LEU CA C 12 53.664 53.664 53.442 0.222 19783 57 1 . 1 1 12 12 LEU CB C 12 43.727 43.727 44.205 -0.478 19783 58 1 . 1 1 12 12 LEU H H 12 8.977 8.977 9.248 -0.271 19783 59 1 . 1 1 13 13 LYS N N 13 121.228 121.228 125.942 -4.714 19783 60 1 . 1 1 13 13 LYS HA H 13 4.016 4.016 4.428 -0.412 19783 61 1 . 1 1 13 13 LYS CA C 13 54.332 54.332 53.744 0.588 19783 62 1 . 1 1 13 13 LYS CB C 13 31.787 31.787 31.747 0.040 19783 63 1 . 1 1 13 13 LYS H H 13 8.151 8.151 8.445 -0.294 19783 64 1 . 1 1 15 15 PRO HA H 15 4.423 4.423 4.382 0.041 19783 65 1 . 1 1 15 15 PRO CA C 15 62.405 62.405 62.598 -0.193 19783 66 1 . 1 1 15 15 PRO CB C 15 31.948 31.948 31.630 0.318 19783 67 1 . 1 1 16 16 PHE N N 16 123.773 123.773 121.204 2.569 19783 68 1 . 1 1 16 16 PHE HA H 16 4.067 4.067 4.547 -0.480 19783 69 1 . 1 1 16 16 PHE CA C 16 60.874 60.874 58.205 2.669 19783 70 1 . 1 1 16 16 PHE CB C 16 39.063 39.063 39.279 -0.216 19783 71 1 . 1 1 16 16 PHE H H 16 8.348 8.348 8.341 0.007 19783 72 1 . 1 1 19 19 ILE HA H 19 3.764 3.764 3.957 -0.193 19783 73 1 . 1 1 19 19 ILE CA C 19 64.709 64.709 61.528 3.181 19783 74 1 . 1 1 19 19 ILE CB C 19 38.630 38.630 38.346 0.284 19783 75 1 . 1 1 19 19 ILE H H 19 8.268 8.268 7.909 0.359 19783 76 1 . 1 1 20 20 TRP N N 20 119.035 119.035 121.504 -2.469 19783 77 1 . 1 1 20 20 TRP HA H 20 4.942 4.942 4.784 0.159 19783 78 1 . 1 1 20 20 TRP C C 20 173.974 173.974 175.544 -1.570 19783 79 1 . 1 1 20 20 TRP CA C 20 55.508 55.508 55.813 -0.305 19783 80 1 . 1 1 20 20 TRP CB C 20 29.892 29.892 30.061 -0.169 19783 81 1 . 1 1 20 20 TRP H H 20 8.275 8.275 7.492 0.783 19783 82 1 . 1 1 21 21 THR N N 21 122.056 122.056 117.039 5.017 19783 83 1 . 1 1 21 21 THR HA H 21 4.585 4.585 4.542 0.043 19783 84 1 . 1 1 21 21 THR CB C 21 70.303 70.303 69.819 0.484 19783 85 1 . 1 1 21 21 THR H H 21 8.470 8.470 8.471 -0.001 19783 86 1 . 1 1 23 23 GLN N N 23 123.024 123.024 119.875 3.149 19783 87 1 . 1 1 23 23 GLN HA H 23 4.149 4.149 4.363 -0.214 19783 88 1 . 1 1 23 23 GLN CA C 23 58.179 58.179 56.293 1.886 19783 89 1 . 1 1 23 23 GLN CB C 23 26.860 26.860 29.776 -2.916 19783 90 1 . 1 1 23 23 GLN H H 23 8.638 8.638 8.268 0.370 19783 91 1 . 1 1 24 24 THR N N 24 110.779 110.779 111.835 -1.056 19783 92 1 . 1 1 24 24 THR HA H 24 4.785 4.785 4.554 0.230 19783 93 1 . 1 1 24 24 THR CA C 24 60.278 60.278 60.730 -0.452 19783 94 1 . 1 1 24 24 THR CB C 24 72.143 72.143 70.019 2.124 19783 95 1 . 1 1 24 24 THR H H 24 7.402 7.402 7.982 -0.580 19783 96 1 . 1 1 25 25 ALA HA H 25 4.093 4.093 4.403 -0.310 19783 97 1 . 1 1 25 25 ALA CA C 25 53.882 53.882 51.695 2.187 19783 98 1 . 1 1 25 25 ALA CB C 25 19.459 19.459 18.971 0.487 19783 99 1 . 1 1 26 26 THR N N 26 116.103 116.103 113.988 2.115 19783 100 1 . 1 1 26 26 THR CB C 26 69.894 69.894 69.736 0.158 19783 101 1 . 1 1 26 26 THR H H 26 7.874 7.874 7.342 0.532 19783 102 1 . 1 1 27 27 ILE HA H 27 3.717 3.717 4.031 -0.314 19783 103 1 . 1 1 27 27 ILE CA C 27 60.996 60.996 59.345 1.651 19783 104 1 . 1 1 27 27 ILE CB C 27 39.127 39.127 39.238 -0.111 19783 105 1 . 1 1 27 27 ILE H H 27 8.853 8.853 8.284 0.569 19783 106 1 . 1 1 28 28 VAL N N 28 125.545 125.545 123.790 1.755 19783 107 1 . 1 1 28 28 VAL HA H 28 4.651 4.651 4.764 -0.113 19783 108 1 . 1 1 28 28 VAL C C 28 173.536 173.536 174.011 -0.475 19783 109 1 . 1 1 28 28 VAL CA C 28 62.257 62.257 60.810 1.447 19783 110 1 . 1 1 28 28 VAL CB C 28 34.186 34.186 35.282 -1.097 19783 111 1 . 1 1 28 28 VAL H H 28 7.502 7.502 8.554 -1.052 19783 112 1 . 1 1 29 29 CYS N N 29 128.977 128.977 128.461 0.516 19783 113 1 . 1 1 29 29 CYS HA H 29 5.182 5.182 5.236 -0.054 19783 114 1 . 1 1 29 29 CYS C C 29 172.070 172.070 173.338 -1.268 19783 115 1 . 1 1 29 29 CYS CA C 29 53.381 53.381 56.405 -3.024 19783 116 1 . 1 1 29 29 CYS CB C 29 43.709 43.709 28.505 15.204 19783 117 1 . 1 1 29 29 CYS H H 29 9.907 9.907 9.628 0.279 19783 118 1 . 1 1 30 30 GLU N N 30 126.688 126.688 129.877 -3.190 19783 119 1 . 1 1 30 30 GLU HA H 30 4.852 4.852 5.129 -0.276 19783 120 1 . 1 1 30 30 GLU CA C 30 55.742 55.742 54.879 0.863 19783 121 1 . 1 1 30 30 GLU CB C 30 32.387 32.387 31.980 0.408 19783 122 1 . 1 1 30 30 GLU H H 30 9.217 9.217 9.199 0.018 19783 123 1 . 1 1 31 31 ILE N N 31 130.021 130.021 123.233 6.788 19783 124 1 . 1 1 31 31 ILE HA H 31 4.944 4.944 5.183 -0.239 19783 125 1 . 1 1 31 31 ILE C C 31 174.580 174.580 173.868 0.712 19783 126 1 . 1 1 31 31 ILE CA C 31 60.795 60.795 58.779 2.016 19783 127 1 . 1 1 31 31 ILE CB C 31 40.658 40.658 40.092 0.566 19783 128 1 . 1 1 31 31 ILE H H 31 9.119 9.119 9.076 0.043 19783 129 1 . 1 1 32 32 VAL N N 32 127.671 127.671 125.928 1.743 19783 130 1 . 1 1 32 32 VAL HA H 32 5.224 5.224 4.710 0.514 19783 131 1 . 1 1 32 32 VAL C C 32 176.331 176.331 174.700 1.631 19783 132 1 . 1 1 32 32 VAL CA C 32 61.204 61.204 60.105 1.099 19783 133 1 . 1 1 32 32 VAL CB C 32 34.236 34.236 33.267 0.969 19783 134 1 . 1 1 32 32 VAL H H 32 8.723 8.723 8.605 0.118 19783 135 1 . 1 1 33 33 TYR N N 33 125.563 125.563 122.610 2.953 19783 136 1 . 1 1 33 33 TYR HA H 33 5.385 5.385 5.602 -0.217 19783 137 1 . 1 1 33 33 TYR C C 33 172.424 172.424 173.733 -1.308 19783 138 1 . 1 1 33 33 TYR CA C 33 56.468 56.468 55.200 1.268 19783 139 1 . 1 1 33 33 TYR CB C 33 41.612 41.612 40.837 0.775 19783 140 1 . 1 1 33 33 TYR H H 33 9.114 9.114 8.909 0.205 19783 141 1 . 1 1 34 34 SER N N 34 111.556 111.556 115.181 -3.624 19783 142 1 . 1 1 34 34 SER HA H 34 4.749 4.749 4.812 -0.063 19783 143 1 . 1 1 34 34 SER C C 34 174.108 174.108 174.043 0.065 19783 144 1 . 1 1 34 34 SER CA C 34 57.900 57.900 57.302 0.598 19783 145 1 . 1 1 34 34 SER CB C 34 65.956 65.956 65.471 0.485 19783 146 1 . 1 1 34 34 SER H H 34 8.342 8.342 8.575 -0.233 19783 147 1 . 1 1 35 35 ASP N N 35 118.304 118.304 120.977 -2.673 19783 148 1 . 1 1 35 35 ASP HA H 35 4.365 4.365 4.429 -0.064 19783 149 1 . 1 1 35 35 ASP C C 35 175.018 175.018 174.976 0.042 19783 150 1 . 1 1 35 35 ASP CA C 35 56.801 56.801 55.724 1.077 19783 151 1 . 1 1 35 35 ASP CB C 35 40.357 40.357 40.572 -0.215 19783 152 1 . 1 1 35 35 ASP H H 35 8.672 8.672 8.824 -0.152 19783 153 1 . 1 1 36 36 LEU N N 36 117.764 117.764 118.401 -0.637 19783 154 1 . 1 1 36 36 LEU HA H 36 4.524 4.524 4.378 0.146 19783 155 1 . 1 1 36 36 LEU C C 36 177.157 177.157 176.733 0.424 19783 156 1 . 1 1 36 36 LEU CA C 36 55.171 55.171 53.978 1.193 19783 157 1 . 1 1 36 36 LEU CB C 36 43.283 43.283 43.166 0.116 19783 158 1 . 1 1 36 36 LEU H H 36 7.357 7.357 7.667 -0.310 19783 159 1 . 1 1 37 37 GLU N N 37 120.855 120.855 120.290 0.565 19783 160 1 . 1 1 37 37 GLU HA H 37 4.462 4.462 4.416 0.046 19783 161 1 . 1 1 37 37 GLU C C 37 176.584 176.584 175.299 1.285 19783 162 1 . 1 1 37 37 GLU CA C 37 57.020 57.020 54.965 2.055 19783 163 1 . 1 1 37 37 GLU CB C 37 32.512 32.512 31.336 1.176 19783 164 1 . 1 1 37 37 GLU H H 37 9.557 9.557 8.606 0.951 19783 165 1 . 1 1 38 38 ASN N N 38 122.459 122.459 118.833 3.626 19783 166 1 . 1 1 38 38 ASN HA H 38 4.934 4.934 4.548 0.386 19783 167 1 . 1 1 38 38 ASN C C 38 174.192 174.192 175.062 -0.870 19783 168 1 . 1 1 38 38 ASN CA C 38 52.794 52.794 53.638 -0.844 19783 169 1 . 1 1 38 38 ASN CB C 38 40.087 40.087 38.368 1.719 19783 170 1 . 1 1 38 38 ASN H H 38 9.124 9.124 8.571 0.553 19783 171 1 . 1 1 39 39 ILE N N 39 119.708 119.708 123.017 -3.309 19783 172 1 . 1 1 39 39 ILE HA H 39 4.160 4.160 4.162 -0.002 19783 173 1 . 1 1 39 39 ILE C C 39 176.416 176.416 176.232 0.184 19783 174 1 . 1 1 39 39 ILE CA C 39 62.166 62.166 61.308 0.858 19783 175 1 . 1 1 39 39 ILE CB C 39 38.218 38.218 38.591 -0.373 19783 176 1 . 1 1 39 39 ILE H H 39 7.252 7.252 8.070 -0.818 19783 177 1 . 1 1 40 40 LYS N N 40 128.321 128.321 127.636 0.685 19783 178 1 . 1 1 40 40 LYS HA H 40 4.403 4.403 4.695 -0.292 19783 179 1 . 1 1 40 40 LYS C C 40 173.755 173.755 174.782 -1.027 19783 180 1 . 1 1 40 40 LYS CA C 40 55.056 55.056 55.117 -0.061 19783 181 1 . 1 1 40 40 LYS CB C 40 36.010 36.010 34.112 1.898 19783 182 1 . 1 1 40 40 LYS H H 40 8.760 8.760 8.584 0.176 19783 183 1 . 1 1 41 41 VAL N N 41 121.679 121.679 126.087 -4.408 19783 184 1 . 1 1 41 41 VAL HA H 41 4.760 4.760 4.863 -0.103 19783 185 1 . 1 1 41 41 VAL C C 41 175.405 175.405 175.242 0.163 19783 186 1 . 1 1 41 41 VAL CA C 41 60.873 60.873 61.281 -0.408 19783 187 1 . 1 1 41 41 VAL CB C 41 33.886 33.886 33.416 0.470 19783 188 1 . 1 1 41 41 VAL H H 41 7.902 7.902 8.531 -0.629 19783 189 1 . 1 1 42 42 PHE N N 42 126.800 126.800 127.138 -0.338 19783 190 1 . 1 1 42 42 PHE HA H 42 4.869 4.869 5.012 -0.143 19783 191 1 . 1 1 42 42 PHE C C 42 172.340 172.340 173.593 -1.253 19783 192 1 . 1 1 42 42 PHE CA C 42 56.090 56.090 56.596 -0.506 19783 193 1 . 1 1 42 42 PHE CB C 42 41.990 41.990 43.414 -1.424 19783 194 1 . 1 1 42 42 PHE H H 42 9.352 9.352 9.098 0.254 19783 195 1 . 1 1 43 43 TRP N N 43 119.314 119.314 124.655 -5.341 19783 196 1 . 1 1 43 43 TRP HA H 43 5.735 5.735 5.447 0.288 19783 197 1 . 1 1 43 43 TRP C C 43 177.393 177.393 174.172 3.221 19783 198 1 . 1 1 43 43 TRP CA C 43 55.896 55.896 55.473 0.423 19783 199 1 . 1 1 43 43 TRP CB C 43 32.055 32.055 32.957 -0.902 19783 200 1 . 1 1 43 43 TRP H H 43 8.847 8.847 8.142 0.705 19783 201 1 . 1 1 44 44 GLN N N 44 118.782 118.782 121.104 -2.322 19783 202 1 . 1 1 44 44 GLN HA H 44 5.004 5.004 4.641 0.364 19783 203 1 . 1 1 44 44 GLN C C 44 175.035 175.035 174.004 1.031 19783 204 1 . 1 1 44 44 GLN CA C 44 54.163 54.163 54.520 -0.356 19783 205 1 . 1 1 44 44 GLN CB C 44 33.065 33.065 32.759 0.306 19783 206 1 . 1 1 44 44 GLN H H 44 9.376 9.376 8.578 0.798 19783 207 1 . 1 1 45 45 VAL N N 45 121.659 121.659 125.935 -4.276 19783 208 1 . 1 1 45 45 VAL HA H 45 4.406 4.406 4.677 -0.271 19783 209 1 . 1 1 45 45 VAL C C 45 176.921 176.921 175.567 1.354 19783 210 1 . 1 1 45 45 VAL CA C 45 61.827 61.827 59.900 1.927 19783 211 1 . 1 1 45 45 VAL CB C 45 34.260 34.260 32.512 1.748 19783 212 1 . 1 1 45 45 VAL H H 45 8.796 8.796 8.847 -0.051 19783 213 1 . 1 1 46 46 ASN N N 46 128.796 128.796 126.341 2.455 19783 214 1 . 1 1 46 46 ASN HA H 46 4.383 4.383 4.410 -0.027 19783 215 1 . 1 1 46 46 ASN C C 46 175.523 175.523 175.658 -0.135 19783 216 1 . 1 1 46 46 ASN CA C 46 54.279 54.279 54.112 0.167 19783 217 1 . 1 1 46 46 ASN CB C 46 37.485 37.485 37.224 0.261 19783 218 1 . 1 1 46 46 ASN H H 46 9.628 9.628 9.042 0.586 19783 219 1 . 1 1 47 47 GLY N N 47 102.032 102.032 102.724 -0.692 19783 220 1 . 1 1 47 47 GLY C C 47 173.519 173.519 174.151 -0.632 19783 221 1 . 1 1 47 47 GLY CA C 47 45.473 45.473 45.400 0.073 19783 222 1 . 1 1 47 47 GLY H H 47 8.820 8.820 8.456 0.364 19783 223 1 . 1 1 48 48 VAL N N 48 120.265 120.265 122.414 -2.149 19783 224 1 . 1 1 48 48 VAL HA H 48 4.255 4.255 4.282 -0.027 19783 225 1 . 1 1 48 48 VAL C C 48 175.691 175.691 175.132 0.559 19783 226 1 . 1 1 48 48 VAL CA C 48 61.080 61.080 60.535 0.545 19783 227 1 . 1 1 48 48 VAL CB C 48 34.420 34.420 33.189 1.231 19783 228 1 . 1 1 48 48 VAL H H 48 7.529 7.529 7.597 -0.068 19783 229 1 . 1 1 49 49 GLU N N 49 128.059 128.059 126.882 1.177 19783 230 1 . 1 1 49 49 GLU HA H 49 4.737 4.737 4.222 0.515 19783 231 1 . 1 1 49 49 GLU C C 49 175.927 175.927 176.282 -0.355 19783 232 1 . 1 1 49 49 GLU CA C 49 57.835 57.835 57.569 0.266 19783 233 1 . 1 1 49 49 GLU CB C 49 29.551 29.551 30.370 -0.819 19783 234 1 . 1 1 49 49 GLU H H 49 8.851 8.851 8.823 0.028 19783 235 1 . 1 1 50 50 ARG N N 50 128.391 128.391 125.809 2.582 19783 236 1 . 1 1 50 50 ARG CA C 50 54.280 54.280 55.295 -1.015 19783 237 1 . 1 1 50 50 ARG CB C 50 32.304 32.304 30.743 1.561 19783 238 1 . 1 1 50 50 ARG H H 50 8.704 8.704 8.087 0.617 19783 239 1 . 1 1 51 51 LYS N N 51 124.441 124.441 124.316 0.125 19783 240 1 . 1 1 51 51 LYS HA H 51 4.529 4.529 4.235 0.294 19783 241 1 . 1 1 51 51 LYS CA C 51 56.868 56.868 56.186 0.682 19783 242 1 . 1 1 51 51 LYS CB C 51 34.604 34.604 33.023 1.581 19783 243 1 . 1 1 51 51 LYS H H 51 8.772 8.772 8.473 0.299 19783 244 1 . 1 1 52 52 LYS N N 52 122.374 122.374 120.273 2.102 19783 245 1 . 1 1 52 52 LYS HA H 52 4.197 4.197 4.016 0.181 19783 246 1 . 1 1 52 52 LYS C C 52 176.921 176.921 177.357 -0.436 19783 247 1 . 1 1 52 52 LYS CA C 52 57.479 57.479 57.495 -0.016 19783 248 1 . 1 1 52 52 LYS CB C 52 33.042 33.042 32.529 0.513 19783 249 1 . 1 1 52 52 LYS H H 52 7.752 7.752 8.352 -0.600 19783 250 1 . 1 1 53 53 GLY N N 53 112.970 112.970 106.223 6.747 19783 251 1 . 1 1 53 53 GLY C C 53 173.872 173.872 173.089 0.783 19783 252 1 . 1 1 53 53 GLY CA C 53 45.656 45.656 44.749 0.907 19783 253 1 . 1 1 53 53 GLY H H 53 8.832 8.832 8.391 0.441 19783 254 1 . 1 1 54 54 VAL N N 54 120.474 120.474 121.930 -1.456 19783 255 1 . 1 1 54 54 VAL HA H 54 4.483 4.483 4.519 -0.036 19783 256 1 . 1 1 54 54 VAL C C 54 176.870 176.870 174.766 2.104 19783 257 1 . 1 1 54 54 VAL CA C 54 62.101 62.101 61.482 0.619 19783 258 1 . 1 1 54 54 VAL CB C 54 33.587 33.587 32.655 0.932 19783 259 1 . 1 1 54 54 VAL H H 54 7.004 7.004 7.597 -0.593 19783 260 1 . 1 1 55 55 GLU N N 55 129.276 129.276 129.714 -0.438 19783 261 1 . 1 1 55 55 GLU HA H 55 4.717 4.717 4.729 -0.012 19783 262 1 . 1 1 55 55 GLU C C 55 175.068 175.068 175.076 -0.008 19783 263 1 . 1 1 55 55 GLU CA C 55 55.831 55.831 54.765 1.067 19783 264 1 . 1 1 55 55 GLU CB C 55 32.917 32.917 32.392 0.525 19783 265 1 . 1 1 55 55 GLU H H 55 9.091 9.091 8.990 0.101 19783 266 1 . 1 1 56 56 THR N N 56 126.675 126.675 119.389 7.286 19783 267 1 . 1 1 56 56 THR HA H 56 4.881 4.881 4.856 0.025 19783 268 1 . 1 1 56 56 THR CA C 56 62.268 62.268 61.658 0.610 19783 269 1 . 1 1 56 56 THR CB C 56 69.679 69.679 69.622 0.057 19783 270 1 . 1 1 56 56 THR H H 56 9.162 9.162 8.622 0.540 19783 271 1 . 1 1 57 57 GLN N N 57 127.368 127.368 125.371 1.997 19783 272 1 . 1 1 57 57 GLN HA H 57 4.389 4.389 4.522 -0.133 19783 273 1 . 1 1 57 57 GLN C C 57 175.254 175.254 175.694 -0.439 19783 274 1 . 1 1 57 57 GLN CA C 57 55.285 55.285 54.872 0.413 19783 275 1 . 1 1 57 57 GLN CB C 57 30.505 30.505 30.514 -0.009 19783 276 1 . 1 1 57 57 GLN H H 57 8.638 8.638 8.794 -0.156 19783 277 1 . 1 1 58 58 ASN N N 58 118.031 118.031 120.205 -2.174 19783 278 1 . 1 1 58 58 ASN HA H 58 4.840 4.840 4.820 0.020 19783 279 1 . 1 1 58 58 ASN CA C 58 52.081 52.081 51.809 0.272 19783 280 1 . 1 1 58 58 ASN CB C 58 37.293 37.293 38.536 -1.243 19783 281 1 . 1 1 58 58 ASN H H 58 8.398 8.398 8.559 -0.161 19783 282 1 . 1 1 59 59 PRO HA H 59 4.615 4.615 4.647 -0.032 19783 283 1 . 1 1 59 59 PRO CA C 59 63.453 63.453 63.264 0.189 19783 284 1 . 1 1 59 59 PRO CB C 59 32.262 32.262 32.388 -0.126 19783 285 1 . 1 1 60 60 GLU N N 60 122.445 122.445 122.590 -0.145 19783 286 1 . 1 1 60 60 GLU HA H 60 4.638 4.638 4.627 0.011 19783 287 1 . 1 1 60 60 GLU C C 60 175.574 175.574 175.081 0.493 19783 288 1 . 1 1 60 60 GLU CA C 60 54.797 54.797 55.260 -0.463 19783 289 1 . 1 1 60 60 GLU CB C 60 32.614 32.614 32.176 0.438 19783 290 1 . 1 1 60 60 GLU H H 60 8.704 8.704 8.592 0.112 19783 291 1 . 1 1 61 61 TRP N N 61 125.833 125.833 126.131 -0.298 19783 292 1 . 1 1 61 61 TRP HA H 61 5.060 5.060 5.080 -0.020 19783 293 1 . 1 1 61 61 TRP C C 61 176.651 176.651 175.644 1.007 19783 294 1 . 1 1 61 61 TRP CA C 61 57.163 57.163 56.282 0.881 19783 295 1 . 1 1 61 61 TRP CB C 61 30.886 30.886 31.496 -0.609 19783 296 1 . 1 1 61 61 TRP H H 61 8.817 8.817 8.471 0.346 19783 297 1 . 1 1 62 62 SER N N 62 120.682 120.682 120.315 0.367 19783 298 1 . 1 1 62 62 SER HA H 62 4.424 4.424 4.628 -0.204 19783 299 1 . 1 1 62 62 SER C C 62 174.614 174.614 175.187 -0.573 19783 300 1 . 1 1 62 62 SER CA C 62 57.422 57.422 57.737 -0.315 19783 301 1 . 1 1 62 62 SER CB C 62 64.113 64.113 63.601 0.512 19783 302 1 . 1 1 62 62 SER H H 62 8.551 8.551 8.414 0.137 19783 303 1 . 1 1 63 63 GLY N N 63 112.655 112.655 114.967 -2.312 19783 304 1 . 1 1 63 63 GLY CA C 63 46.488 46.488 46.531 -0.043 19783 305 1 . 1 1 63 63 GLY H H 63 6.895 6.895 8.807 -1.912 19783 306 1 . 1 1 64 64 SER HA H 64 4.347 4.347 4.657 -0.310 19783 307 1 . 1 1 64 64 SER CA C 64 59.027 59.027 58.477 0.550 19783 308 1 . 1 1 64 64 SER CB C 64 63.975 63.975 64.094 -0.119 19783 309 1 . 1 1 65 65 LYS N N 65 120.463 120.463 121.848 -1.385 19783 310 1 . 1 1 65 65 LYS HA H 65 4.483 4.483 4.575 -0.092 19783 311 1 . 1 1 65 65 LYS C C 65 174.816 174.816 174.984 -0.168 19783 312 1 . 1 1 65 65 LYS CA C 65 54.862 54.862 54.858 0.004 19783 313 1 . 1 1 65 65 LYS CB C 65 35.788 35.788 35.075 0.713 19783 314 1 . 1 1 65 65 LYS H H 65 7.441 7.441 7.949 -0.508 19783 315 1 . 1 1 66 66 SER N N 66 117.984 117.984 116.919 1.065 19783 316 1 . 1 1 66 66 SER HA H 66 4.999 4.999 4.954 0.045 19783 317 1 . 1 1 66 66 SER C C 66 172.205 172.205 173.473 -1.268 19783 318 1 . 1 1 66 66 SER CA C 66 57.739 57.739 57.085 0.654 19783 319 1 . 1 1 66 66 SER CB C 66 64.876 64.876 65.767 -0.891 19783 320 1 . 1 1 66 66 SER H H 66 8.522 8.522 8.813 -0.291 19783 321 1 . 1 1 67 67 THR N N 67 115.663 115.663 119.444 -3.781 19783 322 1 . 1 1 67 67 THR HA H 67 5.608 5.608 4.771 0.837 19783 323 1 . 1 1 67 67 THR C C 67 175.102 175.102 173.009 2.093 19783 324 1 . 1 1 67 67 THR CA C 67 60.739 60.739 61.791 -1.052 19783 325 1 . 1 1 67 67 THR CB C 67 72.013 72.013 70.778 1.235 19783 326 1 . 1 1 67 67 THR H H 67 8.354 8.354 8.673 -0.319 19783 327 1 . 1 1 68 68 ILE N N 68 127.394 127.394 128.842 -1.448 19783 328 1 . 1 1 68 68 ILE HA H 68 4.303 4.303 4.430 -0.127 19783 329 1 . 1 1 68 68 ILE C C 68 173.519 173.519 173.965 -0.446 19783 330 1 . 1 1 68 68 ILE CA C 68 61.276 61.276 59.359 1.917 19783 331 1 . 1 1 68 68 ILE CB C 68 43.127 43.127 41.279 1.848 19783 332 1 . 1 1 68 68 ILE H H 68 9.529 9.529 9.000 0.529 19783 333 1 . 1 1 69 69 VAL N N 69 125.903 125.903 128.052 -2.149 19783 334 1 . 1 1 69 69 VAL HA H 69 4.857 4.857 4.574 0.283 19783 335 1 . 1 1 69 69 VAL C C 69 174.917 174.917 174.683 0.234 19783 336 1 . 1 1 69 69 VAL CA C 69 61.241 61.241 60.979 0.262 19783 337 1 . 1 1 69 69 VAL CB C 69 34.136 34.136 33.502 0.634 19783 338 1 . 1 1 69 69 VAL H H 69 7.253 7.253 8.644 -1.391 19783 339 1 . 1 1 70 70 SER N N 70 121.681 121.681 124.454 -2.773 19783 340 1 . 1 1 70 70 SER HA H 70 5.397 5.397 5.512 -0.115 19783 341 1 . 1 1 70 70 SER C C 70 173.047 173.047 173.279 -0.232 19783 342 1 . 1 1 70 70 SER CA C 70 56.407 56.407 57.116 -0.709 19783 343 1 . 1 1 70 70 SER CB C 70 64.832 64.832 65.145 -0.313 19783 344 1 . 1 1 70 70 SER H H 70 9.302 9.302 9.333 -0.031 19783 345 1 . 1 1 71 71 LYS N N 71 127.421 127.421 126.623 0.798 19783 346 1 . 1 1 71 71 LYS HA H 71 5.360 5.360 4.928 0.432 19783 347 1 . 1 1 71 71 LYS C C 71 173.603 173.603 174.264 -0.661 19783 348 1 . 1 1 71 71 LYS CA C 71 54.771 54.771 54.897 -0.126 19783 349 1 . 1 1 71 71 LYS CB C 71 36.108 36.108 35.645 0.463 19783 350 1 . 1 1 71 71 LYS H H 71 9.029 9.029 9.104 -0.075 19783 351 1 . 1 1 72 72 LEU N N 72 124.252 124.252 124.136 0.116 19783 352 1 . 1 1 72 72 LEU HA H 72 4.282 4.282 4.624 -0.342 19783 353 1 . 1 1 72 72 LEU C C 72 174.075 174.075 175.227 -1.152 19783 354 1 . 1 1 72 72 LEU CA C 72 53.000 53.000 52.492 0.508 19783 355 1 . 1 1 72 72 LEU CB C 72 41.516 41.516 44.017 -2.501 19783 356 1 . 1 1 72 72 LEU H H 72 8.407 8.407 8.866 -0.459 19783 357 1 . 1 1 73 73 LYS N N 73 128.141 128.141 127.985 0.156 19783 358 1 . 1 1 73 73 LYS HA H 73 4.778 4.778 4.330 0.448 19783 359 1 . 1 1 73 73 LYS C C 73 176.331 176.331 174.912 1.419 19783 360 1 . 1 1 73 73 LYS CA C 73 55.250 55.250 55.703 -0.453 19783 361 1 . 1 1 73 73 LYS CB C 73 33.333 33.333 32.446 0.887 19783 362 1 . 1 1 73 73 LYS H H 73 8.090 8.090 8.696 -0.606 19783 363 1 . 1 1 74 74 VAL N N 74 121.453 121.453 121.481 -0.028 19783 364 1 . 1 1 74 74 VAL HA H 74 4.632 4.632 4.396 0.236 19783 365 1 . 1 1 74 74 VAL C C 74 175.590 175.590 174.445 1.145 19783 366 1 . 1 1 74 74 VAL CA C 74 58.455 58.455 59.757 -1.302 19783 367 1 . 1 1 74 74 VAL CB C 74 35.744 35.744 35.316 0.428 19783 368 1 . 1 1 74 74 VAL H H 74 8.730 8.730 7.994 0.736 19783 369 1 . 1 1 75 75 MET N N 75 119.151 119.151 121.952 -2.801 19783 370 1 . 1 1 75 75 MET HA H 75 4.560 4.560 4.646 -0.086 19783 371 1 . 1 1 75 75 MET CA C 75 55.753 55.753 54.930 0.823 19783 372 1 . 1 1 75 75 MET CB C 75 32.563 32.563 32.616 -0.053 19783 373 1 . 1 1 75 75 MET H H 75 8.724 8.724 8.842 -0.118 19783 374 1 . 1 1 76 76 ALA N N 76 127.351 127.351 128.850 -1.499 19783 375 1 . 1 1 76 76 ALA HA H 76 3.742 3.742 4.050 -0.308 19783 376 1 . 1 1 76 76 ALA C C 76 178.487 178.487 179.601 -1.114 19783 377 1 . 1 1 76 76 ALA CA C 76 55.953 55.953 55.874 0.078 19783 378 1 . 1 1 76 76 ALA CB C 76 17.994 17.994 18.227 -0.233 19783 379 1 . 1 1 76 76 ALA H H 76 8.460 8.460 8.765 -0.305 19783 380 1 . 1 1 77 77 SER N N 77 110.202 110.202 113.206 -3.004 19783 381 1 . 1 1 77 77 SER HA H 77 4.149 4.149 4.200 -0.051 19783 382 1 . 1 1 77 77 SER C C 77 176.550 176.550 176.734 -0.184 19783 383 1 . 1 1 77 77 SER CA C 77 60.894 60.894 61.528 -0.634 19783 384 1 . 1 1 77 77 SER CB C 77 61.996 61.996 62.712 -0.716 19783 385 1 . 1 1 77 77 SER H H 77 8.460 8.460 8.517 -0.057 19783 386 1 . 1 1 78 78 GLU N N 78 124.828 124.828 122.841 1.987 19783 387 1 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.161 -0.011 19783 388 1 . 1 1 78 78 GLU C C 78 179.599 179.599 178.227 1.372 19783 389 1 . 1 1 78 78 GLU CA C 78 59.118 59.118 59.179 -0.061 19783 390 1 . 1 1 78 78 GLU CB C 78 31.372 31.372 29.462 1.910 19783 391 1 . 1 1 78 78 GLU H H 78 7.336 7.336 7.774 -0.438 19783 392 1 . 1 1 79 79 TRP N N 79 123.252 123.252 121.376 1.876 19783 393 1 . 1 1 79 79 TRP HA H 79 4.634 4.634 4.467 0.167 19783 394 1 . 1 1 79 79 TRP CA C 79 60.794 60.794 59.587 1.207 19783 395 1 . 1 1 79 79 TRP CB C 79 29.468 29.468 29.744 -0.276 19783 396 1 . 1 1 79 79 TRP H H 79 7.469 7.469 8.385 -0.916 19783 397 1 . 1 1 80 80 ASP N N 80 116.114 116.114 118.891 -2.776 19783 398 1 . 1 1 80 80 ASP HA H 80 4.293 4.293 4.285 0.008 19783 399 1 . 1 1 80 80 ASP C C 80 177.174 177.174 177.534 -0.360 19783 400 1 . 1 1 80 80 ASP CA C 80 56.607 56.607 56.296 0.311 19783 401 1 . 1 1 80 80 ASP CB C 80 41.334 41.334 40.536 0.798 19783 402 1 . 1 1 80 80 ASP H H 80 8.816 8.816 8.469 0.347 19783 403 1 . 1 1 81 81 SER N N 81 112.692 112.692 112.892 -0.200 19783 404 1 . 1 1 81 81 SER HA H 81 4.338 4.338 4.386 -0.048 19783 405 1 . 1 1 81 81 SER C C 81 175.203 175.203 175.143 0.060 19783 406 1 . 1 1 81 81 SER CA C 81 59.645 59.645 58.309 1.336 19783 407 1 . 1 1 81 81 SER CB C 81 64.055 64.055 63.626 0.429 19783 408 1 . 1 1 81 81 SER H H 81 7.393 7.393 7.517 -0.124 19783 409 1 . 1 1 82 82 GLY N N 82 108.811 108.811 110.080 -1.269 19783 410 1 . 1 1 82 82 GLY C C 82 173.687 173.687 174.784 -1.097 19783 411 1 . 1 1 82 82 GLY CA C 82 46.220 46.220 45.512 0.708 19783 412 1 . 1 1 82 82 GLY H H 82 7.587 7.587 7.599 -0.012 19783 413 1 . 1 1 83 83 THR N N 83 116.253 116.253 115.726 0.527 19783 414 1 . 1 1 83 83 THR HA H 83 3.668 3.668 4.159 -0.492 19783 415 1 . 1 1 83 83 THR C C 83 170.908 170.908 174.700 -3.792 19783 416 1 . 1 1 83 83 THR CA C 83 63.674 63.674 63.730 -0.056 19783 417 1 . 1 1 83 83 THR CB C 83 70.037 70.037 69.950 0.087 19783 418 1 . 1 1 83 83 THR H H 83 6.788 6.788 7.469 -0.681 19783 419 1 . 1 1 84 84 GLU N N 84 124.967 124.967 125.896 -0.929 19783 420 1 . 1 1 84 84 GLU HA H 84 4.677 4.677 4.493 0.184 19783 421 1 . 1 1 84 84 GLU C C 84 174.462 174.462 175.586 -1.124 19783 422 1 . 1 1 84 84 GLU CA C 84 55.508 55.508 56.601 -1.093 19783 423 1 . 1 1 84 84 GLU CB C 84 32.044 32.044 30.499 1.545 19783 424 1 . 1 1 84 84 GLU H H 84 8.006 8.006 8.427 -0.421 19783 425 1 . 1 1 85 85 TYR N N 85 127.327 127.327 123.407 3.919 19783 426 1 . 1 1 85 85 TYR HA H 85 4.949 4.949 5.227 -0.278 19783 427 1 . 1 1 85 85 TYR C C 85 174.563 174.563 174.498 0.065 19783 428 1 . 1 1 85 85 TYR CA C 85 58.449 58.449 57.283 1.166 19783 429 1 . 1 1 85 85 TYR CB C 85 41.291 41.291 41.600 -0.309 19783 430 1 . 1 1 85 85 TYR H H 85 8.993 8.993 8.344 0.649 19783 431 1 . 1 1 86 86 VAL N N 86 121.985 121.985 122.920 -0.935 19783 432 1 . 1 1 86 86 VAL HA H 86 4.884 4.884 4.887 -0.003 19783 433 1 . 1 1 86 86 VAL C C 86 173.822 173.822 173.762 0.060 19783 434 1 . 1 1 86 86 VAL CA C 86 60.701 60.701 60.120 0.581 19783 435 1 . 1 1 86 86 VAL CB C 86 35.536 35.536 34.979 0.557 19783 436 1 . 1 1 86 86 VAL H H 86 8.873 8.873 8.490 0.383 19783 437 1 . 1 1 87 87 CYS N N 87 127.376 127.376 126.590 0.786 19783 438 1 . 1 1 87 87 CYS HA H 87 3.909 3.909 4.793 -0.884 19783 439 1 . 1 1 87 87 CYS C C 87 171.211 171.211 173.160 -1.949 19783 440 1 . 1 1 87 87 CYS CA C 87 52.879 52.879 55.667 -2.788 19783 441 1 . 1 1 87 87 CYS CB C 87 44.008 44.008 27.612 16.396 19783 442 1 . 1 1 87 87 CYS H H 87 8.312 8.312 8.899 -0.587 19783 443 1 . 1 1 88 88 LEU N N 88 127.118 127.118 128.699 -1.581 19783 444 1 . 1 1 88 88 LEU HA H 88 4.946 4.946 5.617 -0.671 19783 445 1 . 1 1 88 88 LEU C C 88 173.957 173.957 175.243 -1.286 19783 446 1 . 1 1 88 88 LEU CA C 88 54.504 54.504 53.460 1.044 19783 447 1 . 1 1 88 88 LEU CB C 88 45.537 45.537 46.153 -0.616 19783 448 1 . 1 1 88 88 LEU H H 88 8.837 8.837 8.961 -0.124 19783 449 1 . 1 1 89 89 VAL N N 89 120.421 120.421 121.684 -1.263 19783 450 1 . 1 1 89 89 VAL HA H 89 4.864 4.864 4.849 0.015 19783 451 1 . 1 1 89 89 VAL C C 89 174.580 174.580 174.457 0.123 19783 452 1 . 1 1 89 89 VAL CA C 89 60.421 60.421 60.910 -0.489 19783 453 1 . 1 1 89 89 VAL CB C 89 34.505 34.505 34.952 -0.447 19783 454 1 . 1 1 89 89 VAL H H 89 8.687 8.687 9.008 -0.321 19783 455 1 . 1 1 90 90 GLU N N 90 122.482 122.482 126.365 -3.883 19783 456 1 . 1 1 90 90 GLU HA H 90 4.823 4.823 4.755 0.068 19783 457 1 . 1 1 90 90 GLU C C 90 174.664 174.664 173.944 0.720 19783 458 1 . 1 1 90 90 GLU CA C 90 54.202 54.202 54.505 -0.303 19783 459 1 . 1 1 90 90 GLU CB C 90 34.685 34.685 33.301 1.384 19783 460 1 . 1 1 90 90 GLU H H 90 8.551 8.551 8.789 -0.238 19783 461 1 . 1 1 91 91 ASP N N 91 119.348 119.348 122.105 -2.757 19783 462 1 . 1 1 91 91 ASP HA H 91 4.744 4.744 4.939 -0.195 19783 463 1 . 1 1 91 91 ASP C C 91 176.921 176.921 176.567 0.354 19783 464 1 . 1 1 91 91 ASP CA C 91 54.603 54.603 52.893 1.710 19783 465 1 . 1 1 91 91 ASP CB C 91 47.558 47.558 43.563 3.995 19783 466 1 . 1 1 91 91 ASP H H 91 7.980 7.980 8.474 -0.495 19783 467 1 . 1 1 92 92 SER N N 92 121.504 121.504 118.393 3.111 19783 468 1 . 1 1 92 92 SER HA H 92 4.158 4.158 4.262 -0.104 19783 469 1 . 1 1 92 92 SER C C 92 175.574 175.574 175.210 0.364 19783 470 1 . 1 1 92 92 SER CA C 92 61.803 61.803 60.758 1.045 19783 471 1 . 1 1 92 92 SER CB C 92 62.911 62.911 63.088 -0.177 19783 472 1 . 1 1 92 92 SER H H 92 7.973 7.973 8.898 -0.925 19783 473 1 . 1 1 93 93 GLU N N 93 121.008 121.008 118.979 2.029 19783 474 1 . 1 1 93 93 GLU HA H 93 4.289 4.289 4.385 -0.096 19783 475 1 . 1 1 93 93 GLU C C 93 176.517 176.517 176.226 0.291 19783 476 1 . 1 1 93 93 GLU CA C 93 56.610 56.610 55.797 0.813 19783 477 1 . 1 1 93 93 GLU CB C 93 29.975 29.975 30.216 -0.241 19783 478 1 . 1 1 93 93 GLU H H 93 9.782 9.782 8.356 1.426 19783 479 1 . 1 1 94 94 LEU N N 94 121.375 121.375 120.340 1.035 19783 480 1 . 1 1 94 94 LEU HA H 94 4.785 4.785 4.703 0.082 19783 481 1 . 1 1 94 94 LEU CA C 94 51.759 51.759 52.054 -0.295 19783 482 1 . 1 1 94 94 LEU CB C 94 42.854 42.854 41.746 1.108 19783 483 1 . 1 1 94 94 LEU H H 94 7.802 7.802 7.425 0.377 19783 484 1 . 1 1 95 95 PRO HA H 95 4.284 4.284 4.517 -0.233 19783 485 1 . 1 1 95 95 PRO CA C 95 64.807 64.807 63.722 1.085 19783 486 1 . 1 1 95 95 PRO CB C 95 32.300 32.300 32.199 0.101 19783 487 1 . 1 1 96 96 THR N N 96 109.657 109.657 110.913 -1.256 19783 488 1 . 1 1 96 96 THR HA H 96 4.499 4.499 4.673 -0.174 19783 489 1 . 1 1 96 96 THR CA C 96 58.673 58.673 58.833 -0.160 19783 490 1 . 1 1 96 96 THR CB C 96 70.994 70.994 70.628 0.366 19783 491 1 . 1 1 96 96 THR H H 96 7.094 7.094 7.658 -0.564 19783 492 1 . 1 1 97 97 PRO HA H 97 4.746 4.746 4.637 0.109 19783 493 1 . 1 1 97 97 PRO CA C 97 63.294 63.294 62.550 0.745 19783 494 1 . 1 1 97 97 PRO CB C 97 32.969 32.969 32.381 0.588 19783 495 1 . 1 1 98 98 VAL N N 98 122.997 122.997 121.684 1.313 19783 496 1 . 1 1 98 98 VAL HA H 98 4.208 4.208 4.391 -0.183 19783 497 1 . 1 1 98 98 VAL C C 98 173.923 173.923 174.683 -0.760 19783 498 1 . 1 1 98 98 VAL CA C 98 61.972 61.972 60.897 1.075 19783 499 1 . 1 1 98 98 VAL CB C 98 33.468 33.468 33.252 0.216 19783 500 1 . 1 1 98 98 VAL H H 98 8.358 8.358 8.653 -0.295 19783 501 1 . 1 1 99 99 LYS N N 99 122.194 122.194 124.806 -2.612 19783 502 1 . 1 1 99 99 LYS HA H 99 5.482 5.482 5.419 0.063 19783 503 1 . 1 1 99 99 LYS C C 99 174.984 174.984 174.927 0.057 19783 504 1 . 1 1 99 99 LYS CA C 99 54.322 54.322 53.953 0.369 19783 505 1 . 1 1 99 99 LYS CB C 99 37.320 37.320 35.938 1.382 19783 506 1 . 1 1 99 99 LYS H H 99 8.340 8.340 8.298 0.042 19783 507 1 . 1 1 100 100 ALA N N 100 123.875 123.875 123.404 0.471 19783 508 1 . 1 1 100 100 ALA HA H 100 4.638 4.638 4.584 0.054 19783 509 1 . 1 1 100 100 ALA C C 100 174.243 174.243 174.871 -0.628 19783 510 1 . 1 1 100 100 ALA CA C 100 51.392 51.392 51.654 -0.262 19783 511 1 . 1 1 100 100 ALA CB C 100 23.012 23.012 21.319 1.693 19783 512 1 . 1 1 100 100 ALA H H 100 8.600 8.600 8.546 0.055 19783 513 1 . 1 1 101 101 SER N N 101 114.189 114.189 117.099 -2.910 19783 514 1 . 1 1 101 101 SER HA H 101 5.761 5.761 5.647 0.114 19783 515 1 . 1 1 101 101 SER C C 101 173.519 173.519 173.809 -0.290 19783 516 1 . 1 1 101 101 SER CA C 101 56.346 56.346 56.383 -0.037 19783 517 1 . 1 1 101 101 SER CB C 101 67.504 67.504 65.425 2.079 19783 518 1 . 1 1 101 101 SER H H 101 8.367 8.367 8.398 -0.031 19783 519 1 . 1 1 102 102 ILE N N 102 121.742 121.742 123.657 -1.915 19783 520 1 . 1 1 102 102 ILE HA H 102 4.778 4.778 4.587 0.191 19783 521 1 . 1 1 102 102 ILE C C 102 170.824 170.824 173.952 -3.128 19783 522 1 . 1 1 102 102 ILE CA C 102 61.198 61.198 59.957 1.241 19783 523 1 . 1 1 102 102 ILE CB C 102 41.820 41.820 41.885 -0.065 19783 524 1 . 1 1 102 102 ILE H H 102 9.317 9.317 9.131 0.186 19783 525 1 . 1 1 103 103 ARG N N 103 120.111 120.111 125.839 -5.728 19783 526 1 . 1 1 103 103 ARG HA H 103 4.581 4.581 4.716 -0.135 19783 527 1 . 1 1 103 103 ARG C C 103 174.411 174.411 174.847 -0.436 19783 528 1 . 1 1 103 103 ARG CA C 103 54.474 54.474 54.214 0.260 19783 529 1 . 1 1 103 103 ARG CB C 103 34.589 34.589 32.840 1.749 19783 530 1 . 1 1 103 103 ARG H H 103 7.525 7.525 8.458 -0.933 19783 531 1 . 1 1 104 104 LYS N N 104 126.177 126.177 122.847 3.330 19783 532 1 . 1 1 104 104 LYS HA H 104 3.614 3.614 3.851 -0.237 19783 533 1 . 1 1 104 104 LYS C C 104 175.287 175.287 175.275 0.012 19783 534 1 . 1 1 104 104 LYS CA C 104 58.288 58.288 56.213 2.075 19783 535 1 . 1 1 104 104 LYS CB C 104 32.169 32.169 31.532 0.637 19783 536 1 . 1 1 104 104 LYS H H 104 9.077 9.077 8.250 0.827 19783 stop_ save_