data_25856 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25856 _Entry.PDB_ID 2N8N 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 25856 _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 5 5 ASP N N 5 121.636 121.636 119.981 1.655 25856 2 1 1 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.608 -0.027 25856 3 1 1 . 1 1 5 5 ASP C C 5 175.317 175.317 176.274 -0.957 25856 4 1 1 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.163 -0.476 25856 5 1 1 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.024 0.236 25856 6 1 1 . 1 1 5 5 ASP H H 5 8.370 8.370 8.298 0.072 25856 7 1 1 . 1 1 6 6 VAL N N 6 116.054 116.054 118.398 -2.344 25856 8 1 1 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.262 0.293 25856 9 1 1 . 1 1 6 6 VAL C C 6 174.969 174.969 175.242 -0.273 25856 10 1 1 . 1 1 6 6 VAL CA C 6 60.949 60.949 61.217 -0.268 25856 11 1 1 . 1 1 6 6 VAL CB C 6 35.032 35.032 34.969 0.063 25856 12 1 1 . 1 1 6 6 VAL H H 6 7.702 7.702 7.689 0.013 25856 13 1 1 . 1 1 7 7 ILE N N 7 123.240 123.240 126.302 -3.062 25856 14 1 1 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.390 -0.008 25856 15 1 1 . 1 1 7 7 ILE C C 7 174.177 174.177 174.882 -0.705 25856 16 1 1 . 1 1 7 7 ILE CA C 7 60.100 60.100 60.364 -0.264 25856 17 1 1 . 1 1 7 7 ILE CB C 7 40.712 40.712 39.466 1.246 25856 18 1 1 . 1 1 7 7 ILE H H 7 8.748 8.748 9.209 -0.461 25856 19 1 1 . 1 1 8 8 GLU N N 8 124.266 124.266 127.781 -3.515 25856 20 1 1 . 1 1 8 8 GLU HA H 8 5.350 5.350 4.843 0.507 25856 21 1 1 . 1 1 8 8 GLU C C 8 175.592 175.592 175.445 0.147 25856 22 1 1 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.848 -1.124 25856 23 1 1 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.597 2.913 25856 24 1 1 . 1 1 8 8 GLU H H 8 8.236 8.236 8.727 -0.491 25856 25 1 1 . 1 1 9 9 LEU N N 9 125.462 125.462 125.631 -0.169 25856 26 1 1 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.826 -0.049 25856 27 1 1 . 1 1 9 9 LEU C C 9 174.654 174.654 175.749 -1.095 25856 28 1 1 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.394 0.478 25856 29 1 1 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.798 0.375 25856 30 1 1 . 1 1 9 9 LEU H H 9 8.947 8.947 8.987 -0.040 25856 31 1 1 . 1 1 10 10 GLU N N 10 119.884 119.884 118.507 1.377 25856 32 1 1 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.431 -0.255 25856 33 1 1 . 1 1 10 10 GLU C C 10 176.424 176.424 175.822 0.602 25856 34 1 1 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.511 0.761 25856 35 1 1 . 1 1 10 10 GLU CB C 10 31.815 31.815 33.407 -1.591 25856 36 1 1 . 1 1 10 10 GLU H H 10 8.697 8.697 8.592 0.105 25856 37 1 1 . 1 1 11 11 GLY N N 11 107.302 107.302 106.559 0.743 25856 38 1 1 . 1 1 11 11 GLY C C 11 171.493 171.493 172.372 -0.879 25856 39 1 1 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.341 0.341 25856 40 1 1 . 1 1 11 11 GLY H H 11 8.896 8.896 8.804 0.092 25856 41 1 1 . 1 1 12 12 THR N N 12 115.723 115.723 116.699 -0.976 25856 42 1 1 . 1 1 12 12 THR HA H 12 5.057 5.057 5.246 -0.189 25856 43 1 1 . 1 1 12 12 THR C C 12 174.347 174.347 173.542 0.805 25856 44 1 1 . 1 1 12 12 THR CA C 12 61.226 61.226 61.559 -0.333 25856 45 1 1 . 1 1 12 12 THR CB C 12 71.245 71.245 71.099 0.146 25856 46 1 1 . 1 1 12 12 THR H H 12 8.551 8.551 8.965 -0.414 25856 47 1 1 . 1 1 13 13 VAL N N 13 127.141 127.141 127.275 -0.134 25856 48 1 1 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.334 -0.534 25856 49 1 1 . 1 1 13 13 VAL C C 13 175.760 175.760 174.441 1.319 25856 50 1 1 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.110 3.408 25856 51 1 1 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.870 -1.315 25856 52 1 1 . 1 1 13 13 VAL H H 13 9.135 9.135 8.827 0.308 25856 53 1 1 . 1 1 14 14 LEU N N 14 129.942 129.942 128.638 1.304 25856 54 1 1 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.513 0.037 25856 55 1 1 . 1 1 14 14 LEU C C 14 176.277 176.277 177.031 -0.754 25856 56 1 1 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.544 0.131 25856 57 1 1 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.987 1.017 25856 58 1 1 . 1 1 14 14 LEU H H 14 9.536 9.536 8.397 1.139 25856 59 1 1 . 1 1 15 15 ASP N N 15 113.621 113.621 118.351 -4.730 25856 60 1 1 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.998 -0.020 25856 61 1 1 . 1 1 15 15 ASP C C 15 174.864 174.864 174.792 0.072 25856 62 1 1 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.250 0.067 25856 63 1 1 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.147 0.623 25856 64 1 1 . 1 1 15 15 ASP H H 15 7.609 7.609 7.702 -0.093 25856 65 1 1 . 1 1 16 16 THR N N 16 115.901 115.901 112.727 3.174 25856 66 1 1 . 1 1 16 16 THR HA H 16 4.298 4.298 4.374 -0.076 25856 67 1 1 . 1 1 16 16 THR C C 16 172.704 172.704 173.840 -1.136 25856 68 1 1 . 1 1 16 16 THR CA C 16 60.251 60.251 61.539 -1.288 25856 69 1 1 . 1 1 16 16 THR CB C 16 69.494 69.494 69.447 0.047 25856 70 1 1 . 1 1 16 16 THR H H 16 8.841 8.841 8.240 0.601 25856 71 1 1 . 1 1 17 17 LEU N N 17 125.747 125.747 126.188 -0.441 25856 72 1 1 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.719 -0.036 25856 73 1 1 . 1 1 17 17 LEU C C 17 174.509 174.509 174.694 -0.185 25856 74 1 1 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.384 1.410 25856 75 1 1 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.441 0.140 25856 76 1 1 . 1 1 17 17 LEU H H 17 7.913 7.913 7.542 0.371 25856 77 1 1 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.412 -0.088 25856 78 1 1 . 1 1 18 18 PRO C C 18 175.973 175.973 176.721 -0.748 25856 79 1 1 . 1 1 18 18 PRO CA C 18 63.149 63.149 62.457 0.692 25856 80 1 1 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.126 0.102 25856 81 1 1 . 1 1 19 19 ASN N N 19 115.147 115.147 119.493 -4.346 25856 82 1 1 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.351 -0.120 25856 83 1 1 . 1 1 19 19 ASN C C 19 174.180 174.180 175.057 -0.877 25856 84 1 1 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.303 0.796 25856 85 1 1 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.957 -1.047 25856 86 1 1 . 1 1 19 19 ASN H H 19 8.598 8.598 8.712 -0.114 25856 87 1 1 . 1 1 20 20 ALA N N 20 116.191 116.191 114.338 1.853 25856 88 1 1 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.967 -0.166 25856 89 1 1 . 1 1 20 20 ALA C C 20 174.990 174.990 176.236 -1.246 25856 90 1 1 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.420 -0.464 25856 91 1 1 . 1 1 20 20 ALA CB C 20 16.543 16.543 18.279 -1.736 25856 92 1 1 . 1 1 20 20 ALA H H 20 8.335 8.335 8.564 -0.229 25856 93 1 1 . 1 1 21 21 MET N N 21 113.560 113.560 117.280 -3.720 25856 94 1 1 . 1 1 21 21 MET HA H 21 5.124 5.124 5.218 -0.094 25856 95 1 1 . 1 1 21 21 MET C C 21 175.205 175.205 175.012 0.193 25856 96 1 1 . 1 1 21 21 MET CA C 21 54.597 54.597 54.652 -0.055 25856 97 1 1 . 1 1 21 21 MET CB C 21 35.150 35.150 34.360 0.790 25856 98 1 1 . 1 1 21 21 MET H H 21 6.302 6.302 7.114 -0.812 25856 99 1 1 . 1 1 22 22 PHE N N 22 117.199 117.199 119.754 -2.555 25856 100 1 1 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.738 0.180 25856 101 1 1 . 1 1 22 22 PHE C C 22 174.697 174.697 173.817 0.880 25856 102 1 1 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.084 0.048 25856 103 1 1 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.862 -0.728 25856 104 1 1 . 1 1 22 22 PHE H H 22 9.007 9.007 8.908 0.099 25856 105 1 1 . 1 1 23 23 LYS N N 23 122.934 122.934 124.548 -1.614 25856 106 1 1 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.929 0.188 25856 107 1 1 . 1 1 23 23 LYS C C 23 175.853 175.853 174.676 1.177 25856 108 1 1 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.652 -0.056 25856 109 1 1 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.466 0.556 25856 110 1 1 . 1 1 23 23 LYS H H 23 8.340 8.340 8.605 -0.265 25856 111 1 1 . 1 1 24 24 VAL N N 24 128.487 128.487 126.726 1.761 25856 112 1 1 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.577 0.064 25856 113 1 1 . 1 1 24 24 VAL C C 24 173.199 173.199 174.371 -1.172 25856 114 1 1 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.057 0.648 25856 115 1 1 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.775 0.834 25856 116 1 1 . 1 1 24 24 VAL H H 24 9.123 9.123 8.831 0.292 25856 117 1 1 . 1 1 25 25 GLU N N 25 127.440 127.440 124.441 2.999 25856 118 1 1 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.294 -0.581 25856 119 1 1 . 1 1 25 25 GLU C C 25 176.358 176.358 176.503 -0.145 25856 120 1 1 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.305 0.602 25856 121 1 1 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.658 -0.019 25856 122 1 1 . 1 1 25 25 GLU H H 25 9.017 9.017 8.892 0.125 25856 123 1 1 . 1 1 26 26 LEU N N 26 128.629 128.629 125.647 2.982 25856 124 1 1 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.396 0.408 25856 125 1 1 . 1 1 26 26 LEU C C 26 179.339 179.339 179.019 0.320 25856 126 1 1 . 1 1 26 26 LEU CA C 26 54.822 54.822 56.134 -1.312 25856 127 1 1 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.271 1.297 25856 128 1 1 . 1 1 26 26 LEU H H 26 9.101 9.101 9.105 -0.004 25856 129 1 1 . 1 1 27 27 GLU N N 27 119.613 119.613 121.311 -1.698 25856 130 1 1 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.000 0.162 25856 131 1 1 . 1 1 27 27 GLU C C 27 175.724 175.724 177.974 -2.250 25856 132 1 1 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.334 -0.945 25856 133 1 1 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.143 0.538 25856 134 1 1 . 1 1 27 27 GLU H H 27 8.794 8.794 8.468 0.326 25856 135 1 1 . 1 1 28 28 ASN N N 28 114.625 114.625 115.507 -0.882 25856 136 1 1 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.724 -0.113 25856 137 1 1 . 1 1 28 28 ASN C C 28 176.299 176.299 176.035 0.264 25856 138 1 1 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.097 -0.616 25856 139 1 1 . 1 1 28 28 ASN CB C 28 37.706 37.706 39.195 -1.489 25856 140 1 1 . 1 1 28 28 ASN H H 28 7.183 7.183 8.008 -0.825 25856 141 1 1 . 1 1 29 29 GLY N N 29 107.903 107.903 107.035 0.868 25856 142 1 1 . 1 1 29 29 GLY C C 29 174.243 174.243 173.356 0.887 25856 143 1 1 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.295 0.012 25856 144 1 1 . 1 1 29 29 GLY H H 29 6.899 6.899 8.113 -1.214 25856 145 1 1 . 1 1 30 30 HIS N N 30 118.953 118.953 118.697 0.256 25856 146 1 1 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.768 -0.104 25856 147 1 1 . 1 1 30 30 HIS C C 30 173.476 173.476 173.921 -0.445 25856 148 1 1 . 1 1 30 30 HIS CA C 30 55.947 55.947 54.761 1.186 25856 149 1 1 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.336 -1.175 25856 150 1 1 . 1 1 30 30 HIS H H 30 7.739 7.739 8.041 -0.302 25856 151 1 1 . 1 1 31 31 GLU N N 31 123.512 123.512 122.730 0.782 25856 152 1 1 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.824 0.417 25856 153 1 1 . 1 1 31 31 GLU C C 31 176.181 176.181 174.975 1.206 25856 154 1 1 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.110 -0.022 25856 155 1 1 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.046 1.837 25856 156 1 1 . 1 1 31 31 GLU H H 31 8.495 8.495 7.945 0.550 25856 157 1 1 . 1 1 32 32 ILE N N 32 117.654 117.654 116.299 1.355 25856 158 1 1 . 1 1 32 32 ILE HA H 32 4.714 4.714 5.034 -0.320 25856 159 1 1 . 1 1 32 32 ILE C C 32 174.438 174.438 173.935 0.503 25856 160 1 1 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.421 -0.231 25856 161 1 1 . 1 1 32 32 ILE CB C 32 43.234 43.234 42.140 1.094 25856 162 1 1 . 1 1 32 32 ILE H H 32 9.005 9.005 8.893 0.112 25856 163 1 1 . 1 1 33 33 LEU N N 33 122.166 122.166 123.774 -1.608 25856 164 1 1 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.108 0.109 25856 165 1 1 . 1 1 33 33 LEU C C 33 176.190 176.190 175.923 0.267 25856 166 1 1 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.406 0.437 25856 167 1 1 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.098 0.660 25856 168 1 1 . 1 1 33 33 LEU H H 33 7.713 7.713 8.903 -1.190 25856 169 1 1 . 1 1 34 34 ALA N N 34 125.096 125.096 126.306 -1.210 25856 170 1 1 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.154 0.338 25856 171 1 1 . 1 1 34 34 ALA C C 34 175.700 175.700 175.942 -0.242 25856 172 1 1 . 1 1 34 34 ALA CA C 34 50.257 50.257 49.765 0.492 25856 173 1 1 . 1 1 34 34 ALA CB C 34 23.151 23.151 22.478 0.673 25856 174 1 1 . 1 1 34 34 ALA H H 34 9.442 9.442 9.129 0.313 25856 175 1 1 . 1 1 35 35 HIS N N 35 117.670 117.670 118.156 -0.486 25856 176 1 1 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.649 -0.141 25856 177 1 1 . 1 1 35 35 HIS C C 35 174.787 174.787 175.535 -0.748 25856 178 1 1 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.719 -0.290 25856 179 1 1 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.043 0.135 25856 180 1 1 . 1 1 35 35 HIS H H 35 7.751 7.751 8.398 -0.647 25856 181 1 1 . 1 1 36 36 VAL N N 36 119.236 119.236 120.367 -1.131 25856 182 1 1 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.366 0.036 25856 183 1 1 . 1 1 36 36 VAL C C 36 175.551 175.551 175.815 -0.264 25856 184 1 1 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.184 1.149 25856 185 1 1 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.512 0.877 25856 186 1 1 . 1 1 36 36 VAL H H 36 9.217 9.217 8.162 1.055 25856 187 1 1 . 1 1 37 37 SER N N 37 119.884 119.884 118.543 1.341 25856 188 1 1 . 1 1 37 37 SER HA H 37 4.425 4.425 4.472 -0.047 25856 189 1 1 . 1 1 37 37 SER C C 37 175.003 175.003 176.163 -1.160 25856 190 1 1 . 1 1 37 37 SER CA C 37 57.971 57.971 58.563 -0.592 25856 191 1 1 . 1 1 37 37 SER CB C 37 64.761 64.761 64.738 0.023 25856 192 1 1 . 1 1 37 37 SER H H 37 8.375 8.375 8.464 -0.089 25856 193 1 1 . 1 1 38 38 GLY N N 38 122.166 122.166 108.979 13.187 25856 194 1 1 . 1 1 38 38 GLY C C 38 175.253 175.253 175.888 -0.635 25856 195 1 1 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.898 -0.143 25856 196 1 1 . 1 1 38 38 GLY H H 38 8.822 8.822 8.915 -0.093 25856 197 1 1 . 1 1 39 39 LYS N N 39 120.070 120.070 121.724 -1.654 25856 198 1 1 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.194 -0.137 25856 199 1 1 . 1 1 39 39 LYS C C 39 177.734 177.734 178.447 -0.713 25856 200 1 1 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.544 -0.508 25856 201 1 1 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.598 0.390 25856 202 1 1 . 1 1 39 39 LYS H H 39 8.135 8.135 7.488 0.647 25856 203 1 1 . 1 1 40 40 ILE N N 40 117.925 117.925 118.982 -1.057 25856 204 1 1 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.959 0.071 25856 205 1 1 . 1 1 40 40 ILE C C 40 176.736 176.736 177.101 -0.365 25856 206 1 1 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.743 -1.986 25856 207 1 1 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.041 -0.239 25856 208 1 1 . 1 1 40 40 ILE H H 40 7.416 7.416 7.863 -0.447 25856 209 1 1 . 1 1 41 41 ARG N N 41 122.141 122.141 119.765 2.376 25856 210 1 1 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.197 -0.091 25856 211 1 1 . 1 1 41 41 ARG C C 41 177.543 177.543 177.667 -0.124 25856 212 1 1 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.442 -0.406 25856 213 1 1 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.603 -0.493 25856 214 1 1 . 1 1 41 41 ARG H H 41 7.912 7.912 7.571 0.341 25856 215 1 1 . 1 1 42 42 MET N N 42 118.223 118.223 116.167 2.056 25856 216 1 1 . 1 1 42 42 MET HA H 42 4.281 4.281 4.236 0.045 25856 217 1 1 . 1 1 42 42 MET C C 42 175.862 175.862 176.934 -1.072 25856 218 1 1 . 1 1 42 42 MET CA C 42 56.299 56.299 57.778 -1.479 25856 219 1 1 . 1 1 42 42 MET CB C 42 32.465 32.465 33.416 -0.951 25856 220 1 1 . 1 1 42 42 MET H H 42 8.090 8.090 7.915 0.175 25856 221 1 1 . 1 1 43 43 ASN N N 43 117.020 117.020 116.301 0.719 25856 222 1 1 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.766 -0.144 25856 223 1 1 . 1 1 43 43 ASN C C 43 174.616 174.616 176.394 -1.778 25856 224 1 1 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.213 1.063 25856 225 1 1 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.819 -0.988 25856 226 1 1 . 1 1 43 43 ASN H H 43 7.843 7.843 7.858 -0.015 25856 227 1 1 . 1 1 44 44 TYR N N 44 117.998 117.998 122.949 -4.951 25856 228 1 1 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.387 -0.040 25856 229 1 1 . 1 1 44 44 TYR C C 44 175.211 175.211 176.146 -0.935 25856 230 1 1 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.521 0.131 25856 231 1 1 . 1 1 44 44 TYR CB C 44 37.603 37.603 36.484 1.119 25856 232 1 1 . 1 1 44 44 TYR H H 44 7.712 7.712 9.098 -1.386 25856 233 1 1 . 1 1 45 45 ILE N N 45 120.711 120.711 117.293 3.418 25856 234 1 1 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.222 -0.279 25856 235 1 1 . 1 1 45 45 ILE C C 45 173.895 173.895 175.669 -1.774 25856 236 1 1 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.406 0.848 25856 237 1 1 . 1 1 45 45 ILE CB C 45 38.574 38.574 36.309 2.265 25856 238 1 1 . 1 1 45 45 ILE H H 45 7.466 7.466 8.131 -0.665 25856 239 1 1 . 1 1 46 46 ARG N N 46 124.912 124.912 124.434 0.478 25856 240 1 1 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.282 0.102 25856 241 1 1 . 1 1 46 46 ARG C C 46 174.759 174.759 175.743 -0.984 25856 242 1 1 . 1 1 46 46 ARG CA C 46 55.534 55.534 56.043 -0.509 25856 243 1 1 . 1 1 46 46 ARG CB C 46 30.762 30.762 31.262 -0.500 25856 244 1 1 . 1 1 46 46 ARG H H 46 8.077 8.077 8.000 0.077 25856 245 1 1 . 1 1 47 47 ILE N N 47 125.326 125.326 122.567 2.759 25856 246 1 1 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.409 -0.385 25856 247 1 1 . 1 1 47 47 ILE C C 47 173.922 173.922 175.655 -1.733 25856 248 1 1 . 1 1 47 47 ILE CA C 47 60.862 60.862 58.793 2.069 25856 249 1 1 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.897 -0.171 25856 250 1 1 . 1 1 47 47 ILE H H 47 7.966 7.966 8.379 -0.413 25856 251 1 1 . 1 1 48 48 LEU N N 48 128.989 128.989 129.655 -0.666 25856 252 1 1 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.993 -0.129 25856 253 1 1 . 1 1 48 48 LEU C C 48 174.217 174.217 174.375 -0.158 25856 254 1 1 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.217 0.498 25856 255 1 1 . 1 1 48 48 LEU CB C 48 43.523 43.523 45.024 -1.501 25856 256 1 1 . 1 1 48 48 LEU H H 48 8.765 8.765 9.406 -0.641 25856 257 1 1 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.349 -0.491 25856 258 1 1 . 1 1 49 49 PRO C C 49 176.960 176.960 177.230 -0.270 25856 259 1 1 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.310 -0.369 25856 260 1 1 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.487 -0.231 25856 261 1 1 . 1 1 50 50 GLY N N 50 114.638 114.638 114.357 0.281 25856 262 1 1 . 1 1 50 50 GLY C C 50 174.448 174.448 174.469 -0.021 25856 263 1 1 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.712 -0.005 25856 264 1 1 . 1 1 50 50 GLY H H 50 9.317 9.317 9.066 0.251 25856 265 1 1 . 1 1 51 51 ASP N N 51 121.882 121.882 122.481 -0.599 25856 266 1 1 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.662 -0.129 25856 267 1 1 . 1 1 51 51 ASP C C 51 175.327 175.327 174.953 0.374 25856 268 1 1 . 1 1 51 51 ASP CA C 51 55.393 55.393 54.920 0.473 25856 269 1 1 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.030 -0.833 25856 270 1 1 . 1 1 51 51 ASP H H 51 8.099 8.099 8.207 -0.108 25856 271 1 1 . 1 1 52 52 LYS N N 52 121.338 121.338 122.674 -1.336 25856 272 1 1 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.182 -0.095 25856 273 1 1 . 1 1 52 52 LYS C C 52 176.315 176.315 175.441 0.874 25856 274 1 1 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.528 -0.876 25856 275 1 1 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.061 -1.464 25856 276 1 1 . 1 1 52 52 LYS H H 52 8.410 8.410 8.634 -0.224 25856 277 1 1 . 1 1 53 53 VAL N N 53 114.761 114.761 121.807 -7.046 25856 278 1 1 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.777 0.473 25856 279 1 1 . 1 1 53 53 VAL C C 53 174.278 174.278 174.299 -0.021 25856 280 1 1 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.288 -1.308 25856 281 1 1 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.063 1.199 25856 282 1 1 . 1 1 53 53 VAL H H 53 8.693 8.693 9.242 -0.549 25856 283 1 1 . 1 1 54 54 THR N N 54 117.231 117.231 120.130 -2.899 25856 284 1 1 . 1 1 54 54 THR HA H 54 4.837 4.837 4.780 0.057 25856 285 1 1 . 1 1 54 54 THR C C 54 173.923 173.923 173.190 0.733 25856 286 1 1 . 1 1 54 54 THR CA C 54 62.448 62.448 62.770 -0.322 25856 287 1 1 . 1 1 54 54 THR CB C 54 69.891 69.891 69.461 0.430 25856 288 1 1 . 1 1 54 54 THR H H 54 8.296 8.296 8.927 -0.631 25856 289 1 1 . 1 1 55 55 VAL N N 55 124.203 124.203 127.906 -3.703 25856 290 1 1 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.869 -0.037 25856 291 1 1 . 1 1 55 55 VAL C C 55 174.106 174.106 173.862 0.244 25856 292 1 1 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.256 0.295 25856 293 1 1 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.834 -0.258 25856 294 1 1 . 1 1 55 55 VAL H H 55 9.331 9.331 9.259 0.072 25856 295 1 1 . 1 1 56 56 GLU N N 56 123.984 123.984 128.376 -4.392 25856 296 1 1 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.185 0.035 25856 297 1 1 . 1 1 56 56 GLU C C 56 176.645 176.645 175.319 1.326 25856 298 1 1 . 1 1 56 56 GLU CA C 56 54.402 54.402 54.637 -0.235 25856 299 1 1 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.914 1.786 25856 300 1 1 . 1 1 56 56 GLU H H 56 9.143 9.143 9.134 0.009 25856 301 1 1 . 1 1 57 57 MET N N 57 123.465 123.465 121.035 2.430 25856 302 1 1 . 1 1 57 57 MET HA H 57 4.795 4.795 4.963 -0.168 25856 303 1 1 . 1 1 57 57 MET C C 57 174.899 174.899 174.457 0.442 25856 304 1 1 . 1 1 57 57 MET CA C 57 54.339 54.339 54.488 -0.149 25856 305 1 1 . 1 1 57 57 MET CB C 57 36.252 36.252 37.022 -0.770 25856 306 1 1 . 1 1 57 57 MET H H 57 9.173 9.173 9.112 0.061 25856 307 1 1 . 1 1 58 58 SER N N 58 117.390 117.390 116.889 0.501 25856 308 1 1 . 1 1 58 58 SER HA H 58 5.039 5.039 5.073 -0.034 25856 309 1 1 . 1 1 58 58 SER C C 58 174.693 174.693 174.570 0.123 25856 310 1 1 . 1 1 58 58 SER CA C 58 54.932 54.932 56.222 -1.290 25856 311 1 1 . 1 1 58 58 SER CB C 58 64.587 64.587 62.703 1.884 25856 312 1 1 . 1 1 58 58 SER H H 58 9.184 9.184 9.091 0.093 25856 313 1 1 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.391 -0.285 25856 314 1 1 . 1 1 59 59 PRO C C 59 176.290 176.290 176.507 -0.217 25856 315 1 1 . 1 1 59 59 PRO CA C 59 63.853 63.853 65.355 -1.502 25856 316 1 1 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.762 0.004 25856 317 1 1 . 1 1 60 60 TYR N N 60 113.938 113.938 116.065 -2.127 25856 318 1 1 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.605 -0.116 25856 319 1 1 . 1 1 60 60 TYR C C 60 175.439 175.439 174.648 0.791 25856 320 1 1 . 1 1 60 60 TYR CA C 60 57.342 57.342 57.896 -0.554 25856 321 1 1 . 1 1 60 60 TYR CB C 60 38.293 38.293 38.693 -0.400 25856 322 1 1 . 1 1 60 60 TYR H H 60 7.307 7.307 7.974 -0.667 25856 323 1 1 . 1 1 61 61 ASP N N 61 118.283 118.283 118.321 -0.038 25856 324 1 1 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.557 0.210 25856 325 1 1 . 1 1 61 61 ASP C C 61 174.996 174.996 176.665 -1.669 25856 326 1 1 . 1 1 61 61 ASP CA C 61 53.842 53.842 53.849 -0.007 25856 327 1 1 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.643 -2.221 25856 328 1 1 . 1 1 61 61 ASP H H 61 7.418 7.418 7.768 -0.350 25856 329 1 1 . 1 1 62 62 LEU N N 62 124.044 124.044 118.015 6.029 25856 330 1 1 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.963 0.524 25856 331 1 1 . 1 1 62 62 LEU C C 62 177.109 177.109 175.272 1.837 25856 332 1 1 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.389 -0.160 25856 333 1 1 . 1 1 62 62 LEU CB C 62 40.930 40.930 41.248 -0.318 25856 334 1 1 . 1 1 62 62 LEU H H 62 8.743 8.743 8.410 0.333 25856 335 1 1 . 1 1 63 63 THR N N 63 107.624 107.624 112.738 -5.114 25856 336 1 1 . 1 1 63 63 THR HA H 63 4.608 4.608 4.746 -0.138 25856 337 1 1 . 1 1 63 63 THR C C 63 174.873 174.873 173.766 1.107 25856 338 1 1 . 1 1 63 63 THR CA C 63 62.686 62.686 61.929 0.757 25856 339 1 1 . 1 1 63 63 THR CB C 63 70.393 70.393 70.393 0.000 25856 340 1 1 . 1 1 63 63 THR H H 63 8.415 8.415 8.834 -0.419 25856 341 1 1 . 1 1 64 64 ARG N N 64 120.138 120.138 121.254 -1.116 25856 342 1 1 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.642 -0.023 25856 343 1 1 . 1 1 64 64 ARG C C 64 174.858 174.858 175.485 -0.627 25856 344 1 1 . 1 1 64 64 ARG CA C 64 54.218 54.218 54.070 0.148 25856 345 1 1 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.932 0.594 25856 346 1 1 . 1 1 64 64 ARG H H 64 7.200 7.200 8.870 -1.670 25856 347 1 1 . 1 1 65 65 GLY N N 65 106.034 106.034 109.117 -3.083 25856 348 1 1 . 1 1 65 65 GLY C C 65 171.075 171.075 171.984 -0.909 25856 349 1 1 . 1 1 65 65 GLY CA C 65 45.353 45.353 44.562 0.791 25856 350 1 1 . 1 1 65 65 GLY H H 65 8.618 8.618 9.002 -0.384 25856 351 1 1 . 1 1 66 66 ARG N N 66 118.635 118.635 119.196 -0.561 25856 352 1 1 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.680 -0.694 25856 353 1 1 . 1 1 66 66 ARG C C 66 175.345 175.345 174.365 0.980 25856 354 1 1 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.568 -0.877 25856 355 1 1 . 1 1 66 66 ARG CB C 66 33.411 33.411 33.488 -0.077 25856 356 1 1 . 1 1 66 66 ARG H H 66 8.621 8.621 8.224 0.397 25856 357 1 1 . 1 1 67 67 ILE N N 67 125.220 125.220 127.618 -2.398 25856 358 1 1 . 1 1 67 67 ILE HA H 67 4.402 4.402 5.050 -0.648 25856 359 1 1 . 1 1 67 67 ILE C C 67 176.084 176.084 176.202 -0.118 25856 360 1 1 . 1 1 67 67 ILE CA C 67 62.299 62.299 59.988 2.311 25856 361 1 1 . 1 1 67 67 ILE CB C 67 39.359 39.359 39.443 -0.084 25856 362 1 1 . 1 1 67 67 ILE H H 67 9.083 9.083 9.149 -0.066 25856 363 1 1 . 1 1 68 68 THR N N 68 117.584 117.584 119.870 -2.286 25856 364 1 1 . 1 1 68 68 THR HA H 68 4.435 4.435 4.551 -0.116 25856 365 1 1 . 1 1 68 68 THR C C 68 174.406 174.406 174.366 0.040 25856 366 1 1 . 1 1 68 68 THR CA C 68 61.164 61.164 62.181 -1.017 25856 367 1 1 . 1 1 68 68 THR CB C 68 69.514 69.514 70.161 -0.647 25856 368 1 1 . 1 1 68 68 THR H H 68 8.691 8.691 8.366 0.325 25856 369 1 1 . 1 1 69 69 TYR N N 69 120.904 120.904 122.548 -1.644 25856 370 1 1 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.781 -0.428 25856 371 1 1 . 1 1 69 69 TYR C C 69 172.657 172.657 173.243 -0.586 25856 372 1 1 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.427 1.307 25856 373 1 1 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.397 0.035 25856 374 1 1 . 1 1 69 69 TYR H H 69 7.479 7.479 7.489 -0.010 25856 375 1 1 . 1 1 70 70 ARG N N 70 125.781 125.781 127.082 -1.301 25856 376 1 1 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.283 0.408 25856 377 1 1 . 1 1 70 70 ARG C C 70 174.016 174.016 173.985 0.031 25856 378 1 1 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.117 0.544 25856 379 1 1 . 1 1 70 70 ARG CB C 70 31.816 31.816 31.964 -0.148 25856 380 1 1 . 1 1 70 70 ARG H H 70 7.439 7.439 8.063 -0.624 25856 381 1 1 . 1 1 71 71 TYR N N 71 124.942 124.942 126.236 -1.294 25856 382 1 1 . 1 1 71 71 TYR HA H 71 4.251 4.251 3.968 0.283 25856 383 1 1 . 1 1 71 71 TYR C C 71 175.278 175.278 174.423 0.855 25856 384 1 1 . 1 1 71 71 TYR CA C 71 58.445 58.445 59.845 -1.400 25856 385 1 1 . 1 1 71 71 TYR CB C 71 38.803 38.803 39.019 -0.216 25856 386 1 1 . 1 1 71 71 TYR H H 71 8.478 8.478 8.548 -0.070 25856 387 1 2 . 1 1 5 5 ASP N N 5 121.636 121.636 117.791 3.845 25856 388 1 2 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.583 -0.002 25856 389 1 2 . 1 1 5 5 ASP C C 5 175.317 175.317 174.542 0.775 25856 390 1 2 . 1 1 5 5 ASP CA C 5 54.687 54.687 54.538 0.149 25856 391 1 2 . 1 1 5 5 ASP CB C 5 41.260 41.260 42.067 -0.807 25856 392 1 2 . 1 1 5 5 ASP H H 5 8.370 8.370 8.303 0.067 25856 393 1 2 . 1 1 6 6 VAL N N 6 116.054 116.054 119.728 -3.674 25856 394 1 2 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.455 0.100 25856 395 1 2 . 1 1 6 6 VAL C C 6 174.969 174.969 174.489 0.480 25856 396 1 2 . 1 1 6 6 VAL CA C 6 60.949 60.949 61.426 -0.477 25856 397 1 2 . 1 1 6 6 VAL CB C 6 35.032 35.032 34.287 0.745 25856 398 1 2 . 1 1 6 6 VAL H H 6 7.702 7.702 7.732 -0.030 25856 399 1 2 . 1 1 7 7 ILE N N 7 123.240 123.240 125.167 -1.927 25856 400 1 2 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.459 -0.077 25856 401 1 2 . 1 1 7 7 ILE C C 7 174.177 174.177 174.089 0.088 25856 402 1 2 . 1 1 7 7 ILE CA C 7 60.100 60.100 59.915 0.185 25856 403 1 2 . 1 1 7 7 ILE CB C 7 40.712 40.712 42.217 -1.505 25856 404 1 2 . 1 1 7 7 ILE H H 7 8.748 8.748 9.207 -0.459 25856 405 1 2 . 1 1 8 8 GLU N N 8 124.266 124.266 125.241 -0.975 25856 406 1 2 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.295 0.055 25856 407 1 2 . 1 1 8 8 GLU C C 8 175.592 175.592 175.937 -0.345 25856 408 1 2 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.250 -0.526 25856 409 1 2 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.259 3.252 25856 410 1 2 . 1 1 8 8 GLU H H 8 8.236 8.236 8.517 -0.281 25856 411 1 2 . 1 1 9 9 LEU N N 9 125.462 125.462 125.136 0.326 25856 412 1 2 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.700 0.077 25856 413 1 2 . 1 1 9 9 LEU C C 9 174.654 174.654 175.383 -0.729 25856 414 1 2 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.285 0.587 25856 415 1 2 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.143 1.030 25856 416 1 2 . 1 1 9 9 LEU H H 9 8.947 8.947 9.114 -0.167 25856 417 1 2 . 1 1 10 10 GLU N N 10 119.884 119.884 120.127 -0.243 25856 418 1 2 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.306 -0.130 25856 419 1 2 . 1 1 10 10 GLU C C 10 176.424 176.424 175.496 0.928 25856 420 1 2 . 1 1 10 10 GLU CA C 10 55.272 55.272 55.115 0.156 25856 421 1 2 . 1 1 10 10 GLU CB C 10 31.815 31.815 33.401 -1.586 25856 422 1 2 . 1 1 10 10 GLU H H 10 8.697 8.697 9.229 -0.532 25856 423 1 2 . 1 1 11 11 GLY N N 11 107.302 107.302 111.130 -3.828 25856 424 1 2 . 1 1 11 11 GLY C C 11 171.493 171.493 172.730 -1.237 25856 425 1 2 . 1 1 11 11 GLY CA C 11 45.682 45.682 44.411 1.271 25856 426 1 2 . 1 1 11 11 GLY H H 11 8.896 8.896 8.074 0.822 25856 427 1 2 . 1 1 12 12 THR N N 12 115.723 115.723 116.732 -1.009 25856 428 1 2 . 1 1 12 12 THR HA H 12 5.057 5.057 5.032 0.025 25856 429 1 2 . 1 1 12 12 THR C C 12 174.347 174.347 173.964 0.383 25856 430 1 2 . 1 1 12 12 THR CA C 12 61.226 61.226 62.173 -0.947 25856 431 1 2 . 1 1 12 12 THR CB C 12 71.245 71.245 70.403 0.842 25856 432 1 2 . 1 1 12 12 THR H H 12 8.551 8.551 9.218 -0.667 25856 433 1 2 . 1 1 13 13 VAL N N 13 127.141 127.141 126.810 0.331 25856 434 1 2 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.221 -0.421 25856 435 1 2 . 1 1 13 13 VAL C C 13 175.760 175.760 174.298 1.462 25856 436 1 2 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.214 3.304 25856 437 1 2 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.722 -1.167 25856 438 1 2 . 1 1 13 13 VAL H H 13 9.135 9.135 8.799 0.336 25856 439 1 2 . 1 1 14 14 LEU N N 14 129.942 129.942 130.133 -0.191 25856 440 1 2 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.522 0.028 25856 441 1 2 . 1 1 14 14 LEU C C 14 176.277 176.277 176.763 -0.486 25856 442 1 2 . 1 1 14 14 LEU CA C 14 55.675 55.675 56.142 -0.467 25856 443 1 2 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.944 1.060 25856 444 1 2 . 1 1 14 14 LEU H H 14 9.536 9.536 8.735 0.801 25856 445 1 2 . 1 1 15 15 ASP N N 15 113.621 113.621 119.764 -6.143 25856 446 1 2 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.964 0.014 25856 447 1 2 . 1 1 15 15 ASP C C 15 174.864 174.864 174.966 -0.102 25856 448 1 2 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.190 0.127 25856 449 1 2 . 1 1 15 15 ASP CB C 15 44.770 44.770 43.558 1.212 25856 450 1 2 . 1 1 15 15 ASP H H 15 7.609 7.609 7.992 -0.383 25856 451 1 2 . 1 1 16 16 THR N N 16 115.901 115.901 114.205 1.696 25856 452 1 2 . 1 1 16 16 THR HA H 16 4.298 4.298 4.453 -0.155 25856 453 1 2 . 1 1 16 16 THR C C 16 172.704 172.704 174.084 -1.380 25856 454 1 2 . 1 1 16 16 THR CA C 16 60.251 60.251 61.491 -1.240 25856 455 1 2 . 1 1 16 16 THR CB C 16 69.494 69.494 68.804 0.690 25856 456 1 2 . 1 1 16 16 THR H H 16 8.841 8.841 8.519 0.322 25856 457 1 2 . 1 1 17 17 LEU N N 17 125.747 125.747 126.570 -0.823 25856 458 1 2 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.697 -0.014 25856 459 1 2 . 1 1 17 17 LEU C C 17 174.509 174.509 176.051 -1.542 25856 460 1 2 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.868 0.926 25856 461 1 2 . 1 1 17 17 LEU CB C 17 42.581 42.581 41.799 0.782 25856 462 1 2 . 1 1 17 17 LEU H H 17 7.913 7.913 7.648 0.265 25856 463 1 2 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.231 0.093 25856 464 1 2 . 1 1 18 18 PRO C C 18 175.973 175.973 176.619 -0.646 25856 465 1 2 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.470 -0.321 25856 466 1 2 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.016 0.212 25856 467 1 2 . 1 1 19 19 ASN N N 19 115.147 115.147 116.744 -1.597 25856 468 1 2 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.342 -0.111 25856 469 1 2 . 1 1 19 19 ASN C C 19 174.180 174.180 174.851 -0.671 25856 470 1 2 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.786 0.313 25856 471 1 2 . 1 1 19 19 ASN CB C 19 36.910 36.910 36.893 0.017 25856 472 1 2 . 1 1 19 19 ASN H H 19 8.598 8.598 8.855 -0.257 25856 473 1 2 . 1 1 20 20 ALA N N 20 116.191 116.191 113.874 2.317 25856 474 1 2 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.646 0.155 25856 475 1 2 . 1 1 20 20 ALA C C 20 174.990 174.990 175.207 -0.217 25856 476 1 2 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.977 -0.021 25856 477 1 2 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.708 -1.165 25856 478 1 2 . 1 1 20 20 ALA H H 20 8.335 8.335 8.249 0.086 25856 479 1 2 . 1 1 21 21 MET N N 21 113.560 113.560 116.649 -3.089 25856 480 1 2 . 1 1 21 21 MET HA H 21 5.124 5.124 5.028 0.096 25856 481 1 2 . 1 1 21 21 MET C C 21 175.205 175.205 174.371 0.834 25856 482 1 2 . 1 1 21 21 MET CA C 21 54.597 54.597 54.221 0.376 25856 483 1 2 . 1 1 21 21 MET CB C 21 35.150 35.150 35.911 -0.761 25856 484 1 2 . 1 1 21 21 MET H H 21 6.302 6.302 7.005 -0.703 25856 485 1 2 . 1 1 22 22 PHE N N 22 117.199 117.199 119.198 -1.999 25856 486 1 2 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.898 0.020 25856 487 1 2 . 1 1 22 22 PHE C C 22 174.697 174.697 173.849 0.848 25856 488 1 2 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.177 -0.045 25856 489 1 2 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.733 -0.600 25856 490 1 2 . 1 1 22 22 PHE H H 22 9.007 9.007 9.433 -0.426 25856 491 1 2 . 1 1 23 23 LYS N N 23 122.934 122.934 124.461 -1.527 25856 492 1 2 . 1 1 23 23 LYS HA H 23 5.117 5.117 5.250 -0.133 25856 493 1 2 . 1 1 23 23 LYS C C 23 175.853 175.853 175.021 0.832 25856 494 1 2 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.317 0.279 25856 495 1 2 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.749 0.272 25856 496 1 2 . 1 1 23 23 LYS H H 23 8.340 8.340 8.933 -0.593 25856 497 1 2 . 1 1 24 24 VAL N N 24 128.487 128.487 125.734 2.753 25856 498 1 2 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.659 -0.018 25856 499 1 2 . 1 1 24 24 VAL C C 24 173.199 173.199 174.424 -1.225 25856 500 1 2 . 1 1 24 24 VAL CA C 24 60.705 60.705 59.983 0.722 25856 501 1 2 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.683 0.926 25856 502 1 2 . 1 1 24 24 VAL H H 24 9.123 9.123 8.976 0.147 25856 503 1 2 . 1 1 25 25 GLU N N 25 127.440 127.440 125.110 2.330 25856 504 1 2 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.296 -0.583 25856 505 1 2 . 1 1 25 25 GLU C C 25 176.358 176.358 175.140 1.218 25856 506 1 2 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.097 0.810 25856 507 1 2 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.253 -0.614 25856 508 1 2 . 1 1 25 25 GLU H H 25 9.017 9.017 9.011 0.006 25856 509 1 2 . 1 1 26 26 LEU N N 26 128.629 128.629 125.905 2.724 25856 510 1 2 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.427 0.377 25856 511 1 2 . 1 1 26 26 LEU C C 26 179.339 179.339 178.249 1.090 25856 512 1 2 . 1 1 26 26 LEU CA C 26 54.822 54.822 54.158 0.664 25856 513 1 2 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.946 0.622 25856 514 1 2 . 1 1 26 26 LEU H H 26 9.101 9.101 9.077 0.024 25856 515 1 2 . 1 1 27 27 GLU N N 27 119.613 119.613 120.236 -0.623 25856 516 1 2 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.069 0.093 25856 517 1 2 . 1 1 27 27 GLU C C 27 175.724 175.724 177.234 -1.510 25856 518 1 2 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.446 -1.056 25856 519 1 2 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.423 0.259 25856 520 1 2 . 1 1 27 27 GLU H H 27 8.794 8.794 8.791 0.003 25856 521 1 2 . 1 1 28 28 ASN N N 28 114.625 114.625 116.952 -2.327 25856 522 1 2 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.708 -0.097 25856 523 1 2 . 1 1 28 28 ASN C C 28 176.299 176.299 176.151 0.148 25856 524 1 2 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.203 -0.722 25856 525 1 2 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.541 -0.835 25856 526 1 2 . 1 1 28 28 ASN H H 28 7.183 7.183 7.907 -0.724 25856 527 1 2 . 1 1 29 29 GLY N N 29 107.903 107.903 108.099 -0.196 25856 528 1 2 . 1 1 29 29 GLY C C 29 174.243 174.243 173.505 0.738 25856 529 1 2 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.472 -0.165 25856 530 1 2 . 1 1 29 29 GLY H H 29 6.899 6.899 8.139 -1.240 25856 531 1 2 . 1 1 30 30 HIS N N 30 118.953 118.953 120.187 -1.234 25856 532 1 2 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.789 -0.125 25856 533 1 2 . 1 1 30 30 HIS C C 30 173.476 173.476 173.578 -0.102 25856 534 1 2 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.487 0.460 25856 535 1 2 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.793 -1.632 25856 536 1 2 . 1 1 30 30 HIS H H 30 7.739 7.739 7.957 -0.218 25856 537 1 2 . 1 1 31 31 GLU N N 31 123.512 123.512 125.110 -1.598 25856 538 1 2 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.111 0.130 25856 539 1 2 . 1 1 31 31 GLU C C 31 176.181 176.181 175.548 0.633 25856 540 1 2 . 1 1 31 31 GLU CA C 31 55.088 55.088 54.914 0.174 25856 541 1 2 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.793 1.090 25856 542 1 2 . 1 1 31 31 GLU H H 31 8.495 8.495 8.420 0.075 25856 543 1 2 . 1 1 32 32 ILE N N 32 117.654 117.654 116.955 0.699 25856 544 1 2 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.690 0.024 25856 545 1 2 . 1 1 32 32 ILE C C 32 174.438 174.438 173.962 0.476 25856 546 1 2 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.129 0.061 25856 547 1 2 . 1 1 32 32 ILE CB C 32 43.234 43.234 42.073 1.161 25856 548 1 2 . 1 1 32 32 ILE H H 32 9.005 9.005 9.218 -0.213 25856 549 1 2 . 1 1 33 33 LEU N N 33 122.166 122.166 121.789 0.377 25856 550 1 2 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.302 -0.085 25856 551 1 2 . 1 1 33 33 LEU C C 33 176.190 176.190 175.753 0.437 25856 552 1 2 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.493 0.349 25856 553 1 2 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.381 0.377 25856 554 1 2 . 1 1 33 33 LEU H H 33 7.713 7.713 8.044 -0.331 25856 555 1 2 . 1 1 34 34 ALA N N 34 125.096 125.096 125.203 -0.107 25856 556 1 2 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.339 0.153 25856 557 1 2 . 1 1 34 34 ALA C C 34 175.700 175.700 175.154 0.546 25856 558 1 2 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.209 0.048 25856 559 1 2 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.034 0.117 25856 560 1 2 . 1 1 34 34 ALA H H 34 9.442 9.442 9.215 0.227 25856 561 1 2 . 1 1 35 35 HIS N N 35 117.670 117.670 120.402 -2.732 25856 562 1 2 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.606 -0.098 25856 563 1 2 . 1 1 35 35 HIS C C 35 174.787 174.787 175.013 -0.226 25856 564 1 2 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.865 -0.436 25856 565 1 2 . 1 1 35 35 HIS CB C 35 33.178 33.178 34.208 -1.030 25856 566 1 2 . 1 1 35 35 HIS H H 35 7.751 7.751 8.761 -1.010 25856 567 1 2 . 1 1 36 36 VAL N N 36 119.236 119.236 121.661 -2.425 25856 568 1 2 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.257 0.145 25856 569 1 2 . 1 1 36 36 VAL C C 36 175.551 175.551 175.998 -0.447 25856 570 1 2 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.316 1.017 25856 571 1 2 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.663 0.727 25856 572 1 2 . 1 1 36 36 VAL H H 36 9.217 9.217 7.881 1.336 25856 573 1 2 . 1 1 37 37 SER N N 37 119.884 119.884 119.794 0.090 25856 574 1 2 . 1 1 37 37 SER HA H 37 4.425 4.425 4.465 -0.040 25856 575 1 2 . 1 1 37 37 SER C C 37 175.003 175.003 176.139 -1.136 25856 576 1 2 . 1 1 37 37 SER CA C 37 57.971 57.971 58.513 -0.541 25856 577 1 2 . 1 1 37 37 SER CB C 37 64.761 64.761 64.484 0.277 25856 578 1 2 . 1 1 37 37 SER H H 37 8.375 8.375 8.472 -0.097 25856 579 1 2 . 1 1 38 38 GLY N N 38 122.166 122.166 108.569 13.597 25856 580 1 2 . 1 1 38 38 GLY C C 38 175.253 175.253 176.111 -0.858 25856 581 1 2 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.671 0.084 25856 582 1 2 . 1 1 38 38 GLY H H 38 8.822 8.822 8.990 -0.168 25856 583 1 2 . 1 1 39 39 LYS N N 39 120.070 120.070 122.264 -2.194 25856 584 1 2 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.046 0.011 25856 585 1 2 . 1 1 39 39 LYS C C 39 177.734 177.734 178.746 -1.012 25856 586 1 2 . 1 1 39 39 LYS CA C 39 58.036 58.036 59.386 -1.349 25856 587 1 2 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.485 0.503 25856 588 1 2 . 1 1 39 39 LYS H H 39 8.135 8.135 7.477 0.658 25856 589 1 2 . 1 1 40 40 ILE N N 40 117.925 117.925 118.037 -0.112 25856 590 1 2 . 1 1 40 40 ILE HA H 40 4.030 4.030 4.435 -0.405 25856 591 1 2 . 1 1 40 40 ILE C C 40 176.736 176.736 177.778 -1.042 25856 592 1 2 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.167 -1.410 25856 593 1 2 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.091 -0.289 25856 594 1 2 . 1 1 40 40 ILE H H 40 7.416 7.416 7.807 -0.391 25856 595 1 2 . 1 1 41 41 ARG N N 41 122.141 122.141 121.315 0.826 25856 596 1 2 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.238 -0.132 25856 597 1 2 . 1 1 41 41 ARG C C 41 177.543 177.543 177.906 -0.363 25856 598 1 2 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.977 -0.941 25856 599 1 2 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.331 -0.221 25856 600 1 2 . 1 1 41 41 ARG H H 41 7.912 7.912 7.761 0.151 25856 601 1 2 . 1 1 42 42 MET N N 42 118.223 118.223 116.135 2.088 25856 602 1 2 . 1 1 42 42 MET HA H 42 4.281 4.281 4.400 -0.119 25856 603 1 2 . 1 1 42 42 MET C C 42 175.862 175.862 177.192 -1.330 25856 604 1 2 . 1 1 42 42 MET CA C 42 56.299 56.299 56.912 -0.613 25856 605 1 2 . 1 1 42 42 MET CB C 42 32.465 32.465 33.442 -0.977 25856 606 1 2 . 1 1 42 42 MET H H 42 8.090 8.090 7.940 0.150 25856 607 1 2 . 1 1 43 43 ASN N N 43 117.020 117.020 117.985 -0.965 25856 608 1 2 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.960 -0.338 25856 609 1 2 . 1 1 43 43 ASN C C 43 174.616 174.616 173.636 0.980 25856 610 1 2 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.358 0.919 25856 611 1 2 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.337 -0.506 25856 612 1 2 . 1 1 43 43 ASN H H 43 7.843 7.843 7.967 -0.124 25856 613 1 2 . 1 1 44 44 TYR N N 44 117.998 117.998 126.983 -8.985 25856 614 1 2 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.627 -0.280 25856 615 1 2 . 1 1 44 44 TYR C C 44 175.211 175.211 175.170 0.041 25856 616 1 2 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.928 -0.276 25856 617 1 2 . 1 1 44 44 TYR CB C 44 37.603 37.603 37.544 0.060 25856 618 1 2 . 1 1 44 44 TYR H H 44 7.712 7.712 8.779 -1.067 25856 619 1 2 . 1 1 45 45 ILE N N 45 120.711 120.711 128.544 -7.833 25856 620 1 2 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.057 -0.114 25856 621 1 2 . 1 1 45 45 ILE C C 45 173.895 173.895 174.838 -0.943 25856 622 1 2 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.136 1.118 25856 623 1 2 . 1 1 45 45 ILE CB C 45 38.574 38.574 38.955 -0.381 25856 624 1 2 . 1 1 45 45 ILE H H 45 7.466 7.466 7.704 -0.238 25856 625 1 2 . 1 1 46 46 ARG N N 46 124.912 124.912 127.552 -2.640 25856 626 1 2 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.079 0.305 25856 627 1 2 . 1 1 46 46 ARG C C 46 174.759 174.759 175.084 -0.325 25856 628 1 2 . 1 1 46 46 ARG CA C 46 55.534 55.534 54.856 0.678 25856 629 1 2 . 1 1 46 46 ARG CB C 46 30.762 30.762 30.175 0.587 25856 630 1 2 . 1 1 46 46 ARG H H 46 8.077 8.077 8.434 -0.357 25856 631 1 2 . 1 1 47 47 ILE N N 47 125.326 125.326 126.422 -1.096 25856 632 1 2 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.176 -0.152 25856 633 1 2 . 1 1 47 47 ILE C C 47 173.922 173.922 175.653 -1.731 25856 634 1 2 . 1 1 47 47 ILE CA C 47 60.862 60.862 58.536 2.326 25856 635 1 2 . 1 1 47 47 ILE CB C 47 37.726 37.726 38.016 -0.290 25856 636 1 2 . 1 1 47 47 ILE H H 47 7.966 7.966 8.474 -0.508 25856 637 1 2 . 1 1 48 48 LEU N N 48 128.989 128.989 128.623 0.366 25856 638 1 2 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.880 -0.016 25856 639 1 2 . 1 1 48 48 LEU C C 48 174.217 174.217 174.652 -0.435 25856 640 1 2 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.673 0.042 25856 641 1 2 . 1 1 48 48 LEU CB C 48 43.523 43.523 43.948 -0.425 25856 642 1 2 . 1 1 48 48 LEU H H 48 8.765 8.765 9.369 -0.604 25856 643 1 2 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.482 -0.624 25856 644 1 2 . 1 1 49 49 PRO C C 49 176.960 176.960 177.745 -0.785 25856 645 1 2 . 1 1 49 49 PRO CA C 49 63.941 63.941 63.958 -0.017 25856 646 1 2 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.560 -0.304 25856 647 1 2 . 1 1 50 50 GLY N N 50 114.638 114.638 114.603 0.035 25856 648 1 2 . 1 1 50 50 GLY C C 50 174.448 174.448 174.390 0.058 25856 649 1 2 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.660 0.047 25856 650 1 2 . 1 1 50 50 GLY H H 50 9.317 9.317 9.017 0.300 25856 651 1 2 . 1 1 51 51 ASP N N 51 121.882 121.882 122.672 -0.790 25856 652 1 2 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.664 -0.131 25856 653 1 2 . 1 1 51 51 ASP C C 51 175.327 175.327 174.977 0.350 25856 654 1 2 . 1 1 51 51 ASP CA C 51 55.393 55.393 54.952 0.441 25856 655 1 2 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.413 -1.216 25856 656 1 2 . 1 1 51 51 ASP H H 51 8.099 8.099 8.272 -0.173 25856 657 1 2 . 1 1 52 52 LYS N N 52 121.338 121.338 121.903 -0.565 25856 658 1 2 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.126 -0.039 25856 659 1 2 . 1 1 52 52 LYS C C 52 176.315 176.315 175.656 0.659 25856 660 1 2 . 1 1 52 52 LYS CA C 52 54.652 54.652 54.930 -0.278 25856 661 1 2 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.162 -1.565 25856 662 1 2 . 1 1 52 52 LYS H H 52 8.410 8.410 8.297 0.113 25856 663 1 2 . 1 1 53 53 VAL N N 53 114.761 114.761 120.386 -5.625 25856 664 1 2 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.690 0.560 25856 665 1 2 . 1 1 53 53 VAL C C 53 174.278 174.278 174.318 -0.040 25856 666 1 2 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.147 -1.167 25856 667 1 2 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.459 0.803 25856 668 1 2 . 1 1 53 53 VAL H H 53 8.693 8.693 8.238 0.455 25856 669 1 2 . 1 1 54 54 THR N N 54 117.231 117.231 118.787 -1.556 25856 670 1 2 . 1 1 54 54 THR HA H 54 4.837 4.837 4.822 0.015 25856 671 1 2 . 1 1 54 54 THR C C 54 173.923 173.923 173.322 0.601 25856 672 1 2 . 1 1 54 54 THR CA C 54 62.448 62.448 62.625 -0.177 25856 673 1 2 . 1 1 54 54 THR CB C 54 69.891 69.891 69.663 0.228 25856 674 1 2 . 1 1 54 54 THR H H 54 8.296 8.296 8.553 -0.257 25856 675 1 2 . 1 1 55 55 VAL N N 55 124.203 124.203 128.153 -3.950 25856 676 1 2 . 1 1 55 55 VAL HA H 55 4.832 4.832 5.304 -0.472 25856 677 1 2 . 1 1 55 55 VAL C C 55 174.106 174.106 173.956 0.150 25856 678 1 2 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.085 0.466 25856 679 1 2 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.811 -0.235 25856 680 1 2 . 1 1 55 55 VAL H H 55 9.331 9.331 9.306 0.025 25856 681 1 2 . 1 1 56 56 GLU N N 56 123.984 123.984 128.859 -4.875 25856 682 1 2 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.225 -0.005 25856 683 1 2 . 1 1 56 56 GLU C C 56 176.645 176.645 175.198 1.447 25856 684 1 2 . 1 1 56 56 GLU CA C 56 54.402 54.402 54.388 0.014 25856 685 1 2 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.369 2.331 25856 686 1 2 . 1 1 56 56 GLU H H 56 9.143 9.143 8.505 0.638 25856 687 1 2 . 1 1 57 57 MET N N 57 123.465 123.465 120.643 2.822 25856 688 1 2 . 1 1 57 57 MET HA H 57 4.795 4.795 4.897 -0.102 25856 689 1 2 . 1 1 57 57 MET C C 57 174.899 174.899 174.314 0.585 25856 690 1 2 . 1 1 57 57 MET CA C 57 54.339 54.339 54.907 -0.568 25856 691 1 2 . 1 1 57 57 MET CB C 57 36.252 36.252 36.787 -0.535 25856 692 1 2 . 1 1 57 57 MET H H 57 9.173 9.173 9.251 -0.078 25856 693 1 2 . 1 1 58 58 SER N N 58 117.390 117.390 116.897 0.493 25856 694 1 2 . 1 1 58 58 SER HA H 58 5.039 5.039 5.315 -0.276 25856 695 1 2 . 1 1 58 58 SER C C 58 174.693 174.693 174.686 0.007 25856 696 1 2 . 1 1 58 58 SER CA C 58 54.932 54.932 56.044 -1.112 25856 697 1 2 . 1 1 58 58 SER CB C 58 64.587 64.587 63.770 0.817 25856 698 1 2 . 1 1 58 58 SER H H 58 9.184 9.184 9.057 0.127 25856 699 1 2 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.483 -0.377 25856 700 1 2 . 1 1 59 59 PRO C C 59 176.290 176.290 177.048 -0.758 25856 701 1 2 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.683 -0.830 25856 702 1 2 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.464 0.302 25856 703 1 2 . 1 1 60 60 TYR N N 60 113.938 113.938 117.630 -3.692 25856 704 1 2 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.420 0.069 25856 705 1 2 . 1 1 60 60 TYR C C 60 175.439 175.439 175.057 0.382 25856 706 1 2 . 1 1 60 60 TYR CA C 60 57.342 57.342 59.127 -1.785 25856 707 1 2 . 1 1 60 60 TYR CB C 60 38.293 38.293 38.756 -0.463 25856 708 1 2 . 1 1 60 60 TYR H H 60 7.307 7.307 8.126 -0.819 25856 709 1 2 . 1 1 61 61 ASP N N 61 118.283 118.283 117.610 0.673 25856 710 1 2 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.506 0.261 25856 711 1 2 . 1 1 61 61 ASP C C 61 174.996 174.996 176.763 -1.767 25856 712 1 2 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.094 -0.252 25856 713 1 2 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.670 -2.248 25856 714 1 2 . 1 1 61 61 ASP H H 61 7.418 7.418 7.797 -0.379 25856 715 1 2 . 1 1 62 62 LEU N N 62 124.044 124.044 119.012 5.032 25856 716 1 2 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.959 0.528 25856 717 1 2 . 1 1 62 62 LEU C C 62 177.109 177.109 176.251 0.858 25856 718 1 2 . 1 1 62 62 LEU CA C 62 55.230 55.230 56.249 -1.019 25856 719 1 2 . 1 1 62 62 LEU CB C 62 40.930 40.930 41.172 -0.242 25856 720 1 2 . 1 1 62 62 LEU H H 62 8.743 8.743 8.333 0.410 25856 721 1 2 . 1 1 63 63 THR N N 63 107.624 107.624 110.667 -3.043 25856 722 1 2 . 1 1 63 63 THR HA H 63 4.608 4.608 4.293 0.315 25856 723 1 2 . 1 1 63 63 THR C C 63 174.873 174.873 173.180 1.693 25856 724 1 2 . 1 1 63 63 THR CA C 63 62.686 62.686 61.763 0.923 25856 725 1 2 . 1 1 63 63 THR CB C 63 70.393 70.393 70.063 0.330 25856 726 1 2 . 1 1 63 63 THR H H 63 8.415 8.415 8.738 -0.323 25856 727 1 2 . 1 1 64 64 ARG N N 64 120.138 120.138 120.849 -0.711 25856 728 1 2 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.738 -0.119 25856 729 1 2 . 1 1 64 64 ARG C C 64 174.858 174.858 175.109 -0.251 25856 730 1 2 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.975 0.243 25856 731 1 2 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.798 0.728 25856 732 1 2 . 1 1 64 64 ARG H H 64 7.200 7.200 8.479 -1.279 25856 733 1 2 . 1 1 65 65 GLY N N 65 106.034 106.034 108.486 -2.452 25856 734 1 2 . 1 1 65 65 GLY C C 65 171.075 171.075 172.126 -1.051 25856 735 1 2 . 1 1 65 65 GLY CA C 65 45.353 45.353 44.945 0.408 25856 736 1 2 . 1 1 65 65 GLY H H 65 8.618 8.618 8.126 0.492 25856 737 1 2 . 1 1 66 66 ARG N N 66 118.635 118.635 118.664 -0.029 25856 738 1 2 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.691 -0.705 25856 739 1 2 . 1 1 66 66 ARG C C 66 175.345 175.345 174.355 0.990 25856 740 1 2 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.413 -0.722 25856 741 1 2 . 1 1 66 66 ARG CB C 66 33.411 33.411 35.090 -1.679 25856 742 1 2 . 1 1 66 66 ARG H H 66 8.621 8.621 8.101 0.520 25856 743 1 2 . 1 1 67 67 ILE N N 67 125.220 125.220 124.432 0.788 25856 744 1 2 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.885 -0.483 25856 745 1 2 . 1 1 67 67 ILE C C 67 176.084 176.084 176.589 -0.505 25856 746 1 2 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.049 2.250 25856 747 1 2 . 1 1 67 67 ILE CB C 67 39.359 39.359 38.441 0.918 25856 748 1 2 . 1 1 67 67 ILE H H 67 9.083 9.083 8.947 0.136 25856 749 1 2 . 1 1 68 68 THR N N 68 117.584 117.584 121.037 -3.453 25856 750 1 2 . 1 1 68 68 THR HA H 68 4.435 4.435 4.500 -0.065 25856 751 1 2 . 1 1 68 68 THR C C 68 174.406 174.406 174.442 -0.036 25856 752 1 2 . 1 1 68 68 THR CA C 68 61.164 61.164 62.574 -1.410 25856 753 1 2 . 1 1 68 68 THR CB C 68 69.514 69.514 70.111 -0.597 25856 754 1 2 . 1 1 68 68 THR H H 68 8.691 8.691 8.489 0.202 25856 755 1 2 . 1 1 69 69 TYR N N 69 120.904 120.904 120.507 0.397 25856 756 1 2 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.638 -0.285 25856 757 1 2 . 1 1 69 69 TYR C C 69 172.657 172.657 173.145 -0.488 25856 758 1 2 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.944 0.790 25856 759 1 2 . 1 1 69 69 TYR CB C 69 41.431 41.431 42.178 -0.747 25856 760 1 2 . 1 1 69 69 TYR H H 69 7.479 7.479 7.533 -0.054 25856 761 1 2 . 1 1 70 70 ARG N N 70 125.781 125.781 123.426 2.355 25856 762 1 2 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.381 0.310 25856 763 1 2 . 1 1 70 70 ARG C C 70 174.016 174.016 173.386 0.630 25856 764 1 2 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.960 -0.299 25856 765 1 2 . 1 1 70 70 ARG CB C 70 31.816 31.816 30.449 1.367 25856 766 1 2 . 1 1 70 70 ARG H H 70 7.439 7.439 7.844 -0.405 25856 767 1 2 . 1 1 71 71 TYR N N 71 124.942 124.942 127.005 -2.063 25856 768 1 2 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.550 -0.299 25856 769 1 2 . 1 1 71 71 TYR C C 71 175.278 175.278 174.307 0.971 25856 770 1 2 . 1 1 71 71 TYR CA C 71 58.445 58.445 56.391 2.054 25856 771 1 2 . 1 1 71 71 TYR CB C 71 38.803 38.803 41.533 -2.730 25856 772 1 2 . 1 1 71 71 TYR H H 71 8.478 8.478 8.475 0.003 25856 773 1 3 . 1 1 5 5 ASP N N 5 121.636 121.636 126.588 -4.952 25856 774 1 3 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.440 0.141 25856 775 1 3 . 1 1 5 5 ASP C C 5 175.317 175.317 175.186 0.131 25856 776 1 3 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.583 -0.896 25856 777 1 3 . 1 1 5 5 ASP CB C 5 41.260 41.260 40.957 0.303 25856 778 1 3 . 1 1 5 5 ASP H H 5 8.370 8.370 8.293 0.077 25856 779 1 3 . 1 1 6 6 VAL N N 6 116.054 116.054 123.125 -7.071 25856 780 1 3 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.315 0.240 25856 781 1 3 . 1 1 6 6 VAL C C 6 174.969 174.969 174.474 0.495 25856 782 1 3 . 1 1 6 6 VAL CA C 6 60.949 60.949 61.435 -0.486 25856 783 1 3 . 1 1 6 6 VAL CB C 6 35.032 35.032 35.879 -0.847 25856 784 1 3 . 1 1 6 6 VAL H H 6 7.702 7.702 8.015 -0.313 25856 785 1 3 . 1 1 7 7 ILE N N 7 123.240 123.240 124.923 -1.683 25856 786 1 3 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.391 -0.009 25856 787 1 3 . 1 1 7 7 ILE C C 7 174.177 174.177 174.206 -0.029 25856 788 1 3 . 1 1 7 7 ILE CA C 7 60.100 60.100 60.286 -0.186 25856 789 1 3 . 1 1 7 7 ILE CB C 7 40.712 40.712 40.059 0.652 25856 790 1 3 . 1 1 7 7 ILE H H 7 8.748 8.748 9.185 -0.437 25856 791 1 3 . 1 1 8 8 GLU N N 8 124.266 124.266 127.151 -2.885 25856 792 1 3 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.237 0.113 25856 793 1 3 . 1 1 8 8 GLU C C 8 175.592 175.592 175.334 0.258 25856 794 1 3 . 1 1 8 8 GLU CA C 8 54.724 54.724 54.637 0.087 25856 795 1 3 . 1 1 8 8 GLU CB C 8 33.510 33.510 29.833 3.677 25856 796 1 3 . 1 1 8 8 GLU H H 8 8.236 8.236 8.636 -0.400 25856 797 1 3 . 1 1 9 9 LEU N N 9 125.462 125.462 125.507 -0.045 25856 798 1 3 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.767 0.010 25856 799 1 3 . 1 1 9 9 LEU C C 9 174.654 174.654 175.217 -0.563 25856 800 1 3 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.447 0.425 25856 801 1 3 . 1 1 9 9 LEU CB C 9 47.173 47.173 45.862 1.311 25856 802 1 3 . 1 1 9 9 LEU H H 9 8.947 8.947 9.079 -0.132 25856 803 1 3 . 1 1 10 10 GLU N N 10 119.884 119.884 119.882 0.002 25856 804 1 3 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.414 -0.238 25856 805 1 3 . 1 1 10 10 GLU C C 10 176.424 176.424 175.684 0.740 25856 806 1 3 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.977 0.295 25856 807 1 3 . 1 1 10 10 GLU CB C 10 31.815 31.815 33.383 -1.568 25856 808 1 3 . 1 1 10 10 GLU H H 10 8.697 8.697 9.264 -0.567 25856 809 1 3 . 1 1 11 11 GLY N N 11 107.302 107.302 110.719 -3.417 25856 810 1 3 . 1 1 11 11 GLY C C 11 171.493 171.493 172.833 -1.340 25856 811 1 3 . 1 1 11 11 GLY CA C 11 45.682 45.682 44.657 1.025 25856 812 1 3 . 1 1 11 11 GLY H H 11 8.896 8.896 8.741 0.155 25856 813 1 3 . 1 1 12 12 THR N N 12 115.723 115.723 116.567 -0.844 25856 814 1 3 . 1 1 12 12 THR HA H 12 5.057 5.057 5.116 -0.059 25856 815 1 3 . 1 1 12 12 THR C C 12 174.347 174.347 173.821 0.526 25856 816 1 3 . 1 1 12 12 THR CA C 12 61.226 61.226 61.891 -0.665 25856 817 1 3 . 1 1 12 12 THR CB C 12 71.245 71.245 70.500 0.745 25856 818 1 3 . 1 1 12 12 THR H H 12 8.551 8.551 9.205 -0.654 25856 819 1 3 . 1 1 13 13 VAL N N 13 127.141 127.141 127.073 0.068 25856 820 1 3 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.446 -0.646 25856 821 1 3 . 1 1 13 13 VAL C C 13 175.760 175.760 174.534 1.226 25856 822 1 3 . 1 1 13 13 VAL CA C 13 64.518 64.518 60.956 3.562 25856 823 1 3 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.726 -1.171 25856 824 1 3 . 1 1 13 13 VAL H H 13 9.135 9.135 8.695 0.440 25856 825 1 3 . 1 1 14 14 LEU N N 14 129.942 129.942 130.039 -0.097 25856 826 1 3 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.604 -0.054 25856 827 1 3 . 1 1 14 14 LEU C C 14 176.277 176.277 176.928 -0.651 25856 828 1 3 . 1 1 14 14 LEU CA C 14 55.675 55.675 56.396 -0.721 25856 829 1 3 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.957 1.047 25856 830 1 3 . 1 1 14 14 LEU H H 14 9.536 9.536 9.169 0.367 25856 831 1 3 . 1 1 15 15 ASP N N 15 113.621 113.621 118.621 -5.000 25856 832 1 3 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.043 -0.065 25856 833 1 3 . 1 1 15 15 ASP C C 15 174.864 174.864 174.990 -0.126 25856 834 1 3 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.172 0.145 25856 835 1 3 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.684 0.086 25856 836 1 3 . 1 1 15 15 ASP H H 15 7.609 7.609 7.818 -0.209 25856 837 1 3 . 1 1 16 16 THR N N 16 115.901 115.901 113.108 2.793 25856 838 1 3 . 1 1 16 16 THR HA H 16 4.298 4.298 4.588 -0.290 25856 839 1 3 . 1 1 16 16 THR C C 16 172.704 172.704 173.947 -1.243 25856 840 1 3 . 1 1 16 16 THR CA C 16 60.251 60.251 61.737 -1.486 25856 841 1 3 . 1 1 16 16 THR CB C 16 69.494 69.494 69.352 0.142 25856 842 1 3 . 1 1 16 16 THR H H 16 8.841 8.841 8.392 0.449 25856 843 1 3 . 1 1 17 17 LEU N N 17 125.747 125.747 125.777 -0.030 25856 844 1 3 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.765 -0.082 25856 845 1 3 . 1 1 17 17 LEU C C 17 174.509 174.509 175.061 -0.552 25856 846 1 3 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.359 1.435 25856 847 1 3 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.491 0.090 25856 848 1 3 . 1 1 17 17 LEU H H 17 7.913 7.913 8.020 -0.107 25856 849 1 3 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.223 0.101 25856 850 1 3 . 1 1 18 18 PRO C C 18 175.973 175.973 176.655 -0.682 25856 851 1 3 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.246 -0.097 25856 852 1 3 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.046 0.182 25856 853 1 3 . 1 1 19 19 ASN N N 19 115.147 115.147 118.744 -3.597 25856 854 1 3 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.272 -0.041 25856 855 1 3 . 1 1 19 19 ASN C C 19 174.180 174.180 174.689 -0.509 25856 856 1 3 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.536 0.563 25856 857 1 3 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.808 -0.898 25856 858 1 3 . 1 1 19 19 ASN H H 19 8.598 8.598 8.769 -0.171 25856 859 1 3 . 1 1 20 20 ALA N N 20 116.191 116.191 113.838 2.353 25856 860 1 3 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.513 0.288 25856 861 1 3 . 1 1 20 20 ALA C C 20 174.990 174.990 175.336 -0.346 25856 862 1 3 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.943 0.013 25856 863 1 3 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.397 -0.854 25856 864 1 3 . 1 1 20 20 ALA H H 20 8.335 8.335 7.936 0.399 25856 865 1 3 . 1 1 21 21 MET N N 21 113.560 113.560 116.894 -3.334 25856 866 1 3 . 1 1 21 21 MET HA H 21 5.124 5.124 4.956 0.168 25856 867 1 3 . 1 1 21 21 MET C C 21 175.205 175.205 175.016 0.189 25856 868 1 3 . 1 1 21 21 MET CA C 21 54.597 54.597 54.933 -0.336 25856 869 1 3 . 1 1 21 21 MET CB C 21 35.150 35.150 34.274 0.876 25856 870 1 3 . 1 1 21 21 MET H H 21 6.302 6.302 6.929 -0.627 25856 871 1 3 . 1 1 22 22 PHE N N 22 117.199 117.199 118.960 -1.761 25856 872 1 3 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.938 -0.020 25856 873 1 3 . 1 1 22 22 PHE C C 22 174.697 174.697 174.129 0.568 25856 874 1 3 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.068 0.064 25856 875 1 3 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.715 -0.581 25856 876 1 3 . 1 1 22 22 PHE H H 22 9.007 9.007 9.301 -0.294 25856 877 1 3 . 1 1 23 23 LYS N N 23 122.934 122.934 124.188 -1.254 25856 878 1 3 . 1 1 23 23 LYS HA H 23 5.117 5.117 5.074 0.043 25856 879 1 3 . 1 1 23 23 LYS C C 23 175.853 175.853 175.101 0.752 25856 880 1 3 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.624 -0.028 25856 881 1 3 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.632 0.390 25856 882 1 3 . 1 1 23 23 LYS H H 23 8.340 8.340 8.914 -0.574 25856 883 1 3 . 1 1 24 24 VAL N N 24 128.487 128.487 126.060 2.427 25856 884 1 3 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.828 -0.187 25856 885 1 3 . 1 1 24 24 VAL C C 24 173.199 173.199 174.432 -1.233 25856 886 1 3 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.446 0.259 25856 887 1 3 . 1 1 24 24 VAL CB C 24 35.609 35.609 35.046 0.563 25856 888 1 3 . 1 1 24 24 VAL H H 24 9.123 9.123 8.965 0.158 25856 889 1 3 . 1 1 25 25 GLU N N 25 127.440 127.440 124.636 2.804 25856 890 1 3 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.212 -0.499 25856 891 1 3 . 1 1 25 25 GLU C C 25 176.358 176.358 175.017 1.341 25856 892 1 3 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.031 0.876 25856 893 1 3 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.231 -0.592 25856 894 1 3 . 1 1 25 25 GLU H H 25 9.017 9.017 8.998 0.019 25856 895 1 3 . 1 1 26 26 LEU N N 26 128.629 128.629 125.916 2.713 25856 896 1 3 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.404 0.400 25856 897 1 3 . 1 1 26 26 LEU C C 26 179.339 179.339 178.579 0.760 25856 898 1 3 . 1 1 26 26 LEU CA C 26 54.822 54.822 53.992 0.830 25856 899 1 3 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.804 0.763 25856 900 1 3 . 1 1 26 26 LEU H H 26 9.101 9.101 8.853 0.248 25856 901 1 3 . 1 1 27 27 GLU N N 27 119.613 119.613 120.410 -0.797 25856 902 1 3 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.066 0.096 25856 903 1 3 . 1 1 27 27 GLU C C 27 175.724 175.724 177.615 -1.891 25856 904 1 3 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.718 -1.329 25856 905 1 3 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.428 0.254 25856 906 1 3 . 1 1 27 27 GLU H H 27 8.794 8.794 8.967 -0.173 25856 907 1 3 . 1 1 28 28 ASN N N 28 114.625 114.625 116.218 -1.593 25856 908 1 3 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.742 -0.131 25856 909 1 3 . 1 1 28 28 ASN C C 28 176.299 176.299 176.164 0.135 25856 910 1 3 . 1 1 28 28 ASN CA C 28 52.481 52.481 52.959 -0.478 25856 911 1 3 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.674 -0.968 25856 912 1 3 . 1 1 28 28 ASN H H 28 7.183 7.183 8.016 -0.833 25856 913 1 3 . 1 1 29 29 GLY N N 29 107.903 107.903 106.906 0.997 25856 914 1 3 . 1 1 29 29 GLY C C 29 174.243 174.243 173.550 0.693 25856 915 1 3 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.353 -0.046 25856 916 1 3 . 1 1 29 29 GLY H H 29 6.899 6.899 8.025 -1.126 25856 917 1 3 . 1 1 30 30 HIS N N 30 118.953 118.953 120.023 -1.070 25856 918 1 3 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.721 -0.057 25856 919 1 3 . 1 1 30 30 HIS C C 30 173.476 173.476 173.617 -0.141 25856 920 1 3 . 1 1 30 30 HIS CA C 30 55.947 55.947 54.453 1.494 25856 921 1 3 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.387 -1.226 25856 922 1 3 . 1 1 30 30 HIS H H 30 7.739 7.739 7.843 -0.104 25856 923 1 3 . 1 1 31 31 GLU N N 31 123.512 123.512 126.516 -3.004 25856 924 1 3 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.004 0.237 25856 925 1 3 . 1 1 31 31 GLU C C 31 176.181 176.181 175.620 0.561 25856 926 1 3 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.018 0.070 25856 927 1 3 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.685 1.198 25856 928 1 3 . 1 1 31 31 GLU H H 31 8.495 8.495 8.629 -0.134 25856 929 1 3 . 1 1 32 32 ILE N N 32 117.654 117.654 117.341 0.313 25856 930 1 3 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.823 -0.109 25856 931 1 3 . 1 1 32 32 ILE C C 32 174.438 174.438 174.017 0.421 25856 932 1 3 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.256 -0.066 25856 933 1 3 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.848 1.386 25856 934 1 3 . 1 1 32 32 ILE H H 32 9.005 9.005 9.244 -0.239 25856 935 1 3 . 1 1 33 33 LEU N N 33 122.166 122.166 122.796 -0.630 25856 936 1 3 . 1 1 33 33 LEU HA H 33 5.217 5.217 4.872 0.345 25856 937 1 3 . 1 1 33 33 LEU C C 33 176.190 176.190 175.815 0.375 25856 938 1 3 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.817 0.026 25856 939 1 3 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.838 0.920 25856 940 1 3 . 1 1 33 33 LEU H H 33 7.713 7.713 8.087 -0.374 25856 941 1 3 . 1 1 34 34 ALA N N 34 125.096 125.096 125.134 -0.038 25856 942 1 3 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.287 0.205 25856 943 1 3 . 1 1 34 34 ALA C C 34 175.700 175.700 175.147 0.553 25856 944 1 3 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.343 -0.086 25856 945 1 3 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.125 0.026 25856 946 1 3 . 1 1 34 34 ALA H H 34 9.442 9.442 9.086 0.356 25856 947 1 3 . 1 1 35 35 HIS N N 35 117.670 117.670 120.063 -2.393 25856 948 1 3 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.608 -0.100 25856 949 1 3 . 1 1 35 35 HIS C C 35 174.787 174.787 175.217 -0.430 25856 950 1 3 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.703 -0.274 25856 951 1 3 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.903 -0.725 25856 952 1 3 . 1 1 35 35 HIS H H 35 7.751 7.751 8.877 -1.126 25856 953 1 3 . 1 1 36 36 VAL N N 36 119.236 119.236 122.690 -3.454 25856 954 1 3 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.429 -0.027 25856 955 1 3 . 1 1 36 36 VAL C C 36 175.551 175.551 176.045 -0.494 25856 956 1 3 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.180 1.153 25856 957 1 3 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.448 0.941 25856 958 1 3 . 1 1 36 36 VAL H H 36 9.217 9.217 8.003 1.214 25856 959 1 3 . 1 1 37 37 SER N N 37 119.884 119.884 119.353 0.531 25856 960 1 3 . 1 1 37 37 SER HA H 37 4.425 4.425 4.479 -0.054 25856 961 1 3 . 1 1 37 37 SER C C 37 175.003 175.003 176.150 -1.147 25856 962 1 3 . 1 1 37 37 SER CA C 37 57.971 57.971 58.642 -0.671 25856 963 1 3 . 1 1 37 37 SER CB C 37 64.761 64.761 64.478 0.283 25856 964 1 3 . 1 1 37 37 SER H H 37 8.375 8.375 8.949 -0.574 25856 965 1 3 . 1 1 38 38 GLY N N 38 122.166 122.166 108.824 13.342 25856 966 1 3 . 1 1 38 38 GLY C C 38 175.253 175.253 176.120 -0.867 25856 967 1 3 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.737 0.018 25856 968 1 3 . 1 1 38 38 GLY H H 38 8.822 8.822 8.990 -0.168 25856 969 1 3 . 1 1 39 39 LYS N N 39 120.070 120.070 121.977 -1.907 25856 970 1 3 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.086 -0.029 25856 971 1 3 . 1 1 39 39 LYS C C 39 177.734 177.734 178.570 -0.836 25856 972 1 3 . 1 1 39 39 LYS CA C 39 58.036 58.036 59.515 -1.479 25856 973 1 3 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.479 0.509 25856 974 1 3 . 1 1 39 39 LYS H H 39 8.135 8.135 7.467 0.668 25856 975 1 3 . 1 1 40 40 ILE N N 40 117.925 117.925 119.005 -1.080 25856 976 1 3 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.895 0.135 25856 977 1 3 . 1 1 40 40 ILE C C 40 176.736 176.736 177.480 -0.744 25856 978 1 3 . 1 1 40 40 ILE CA C 40 61.757 61.757 64.173 -2.416 25856 979 1 3 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.025 -0.223 25856 980 1 3 . 1 1 40 40 ILE H H 40 7.416 7.416 7.669 -0.253 25856 981 1 3 . 1 1 41 41 ARG N N 41 122.141 122.141 120.689 1.452 25856 982 1 3 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.014 0.092 25856 983 1 3 . 1 1 41 41 ARG C C 41 177.543 177.543 178.980 -1.437 25856 984 1 3 . 1 1 41 41 ARG CA C 41 58.036 58.036 60.378 -2.342 25856 985 1 3 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.459 -0.349 25856 986 1 3 . 1 1 41 41 ARG H H 41 7.912 7.912 7.827 0.085 25856 987 1 3 . 1 1 42 42 MET N N 42 118.223 118.223 116.775 1.448 25856 988 1 3 . 1 1 42 42 MET HA H 42 4.281 4.281 4.281 0.000 25856 989 1 3 . 1 1 42 42 MET C C 42 175.862 175.862 177.253 -1.391 25856 990 1 3 . 1 1 42 42 MET CA C 42 56.299 56.299 58.182 -1.883 25856 991 1 3 . 1 1 42 42 MET CB C 42 32.465 32.465 33.154 -0.689 25856 992 1 3 . 1 1 42 42 MET H H 42 8.090 8.090 8.045 0.045 25856 993 1 3 . 1 1 43 43 ASN N N 43 117.020 117.020 116.340 0.680 25856 994 1 3 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.845 -0.223 25856 995 1 3 . 1 1 43 43 ASN C C 43 174.616 174.616 175.238 -0.622 25856 996 1 3 . 1 1 43 43 ASN CA C 43 53.276 53.276 53.377 -0.101 25856 997 1 3 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.958 -1.127 25856 998 1 3 . 1 1 43 43 ASN H H 43 7.843 7.843 7.704 0.139 25856 999 1 3 . 1 1 44 44 TYR N N 44 117.998 117.998 121.021 -3.023 25856 1000 1 3 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.378 -0.031 25856 1001 1 3 . 1 1 44 44 TYR C C 44 175.211 175.211 175.733 -0.522 25856 1002 1 3 . 1 1 44 44 TYR CA C 44 58.652 58.652 59.218 -0.566 25856 1003 1 3 . 1 1 44 44 TYR CB C 44 37.603 37.603 38.318 -0.715 25856 1004 1 3 . 1 1 44 44 TYR H H 44 7.712 7.712 8.832 -1.120 25856 1005 1 3 . 1 1 45 45 ILE N N 45 120.711 120.711 117.906 2.805 25856 1006 1 3 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.044 -0.101 25856 1007 1 3 . 1 1 45 45 ILE C C 45 173.895 173.895 175.354 -1.459 25856 1008 1 3 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.490 0.764 25856 1009 1 3 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.825 2.749 25856 1010 1 3 . 1 1 45 45 ILE H H 45 7.466 7.466 7.790 -0.324 25856 1011 1 3 . 1 1 46 46 ARG N N 46 124.912 124.912 124.184 0.728 25856 1012 1 3 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.251 0.133 25856 1013 1 3 . 1 1 46 46 ARG C C 46 174.759 174.759 176.093 -1.334 25856 1014 1 3 . 1 1 46 46 ARG CA C 46 55.534 55.534 54.776 0.758 25856 1015 1 3 . 1 1 46 46 ARG CB C 46 30.762 30.762 30.621 0.141 25856 1016 1 3 . 1 1 46 46 ARG H H 46 8.077 8.077 7.935 0.142 25856 1017 1 3 . 1 1 47 47 ILE N N 47 125.326 125.326 124.422 0.904 25856 1018 1 3 . 1 1 47 47 ILE HA H 47 4.024 4.024 3.998 0.026 25856 1019 1 3 . 1 1 47 47 ILE C C 47 173.922 173.922 175.218 -1.296 25856 1020 1 3 . 1 1 47 47 ILE CA C 47 60.862 60.862 60.326 0.536 25856 1021 1 3 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.412 0.314 25856 1022 1 3 . 1 1 47 47 ILE H H 47 7.966 7.966 8.252 -0.286 25856 1023 1 3 . 1 1 48 48 LEU N N 48 128.989 128.989 130.236 -1.247 25856 1024 1 3 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.854 0.010 25856 1025 1 3 . 1 1 48 48 LEU C C 48 174.217 174.217 174.216 0.001 25856 1026 1 3 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.013 0.702 25856 1027 1 3 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.703 -1.180 25856 1028 1 3 . 1 1 48 48 LEU H H 48 8.765 8.765 7.962 0.803 25856 1029 1 3 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.477 -0.619 25856 1030 1 3 . 1 1 49 49 PRO C C 49 176.960 176.960 177.245 -0.285 25856 1031 1 3 . 1 1 49 49 PRO CA C 49 63.941 63.941 63.906 0.035 25856 1032 1 3 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.692 -0.436 25856 1033 1 3 . 1 1 50 50 GLY N N 50 114.638 114.638 113.741 0.897 25856 1034 1 3 . 1 1 50 50 GLY C C 50 174.448 174.448 174.155 0.293 25856 1035 1 3 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.627 0.080 25856 1036 1 3 . 1 1 50 50 GLY H H 50 9.317 9.317 8.973 0.344 25856 1037 1 3 . 1 1 51 51 ASP N N 51 121.882 121.882 122.003 -0.121 25856 1038 1 3 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.688 -0.155 25856 1039 1 3 . 1 1 51 51 ASP C C 51 175.327 175.327 174.678 0.649 25856 1040 1 3 . 1 1 51 51 ASP CA C 51 55.393 55.393 53.813 1.580 25856 1041 1 3 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.795 -1.598 25856 1042 1 3 . 1 1 51 51 ASP H H 51 8.099 8.099 7.709 0.390 25856 1043 1 3 . 1 1 52 52 LYS N N 52 121.338 121.338 122.494 -1.156 25856 1044 1 3 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.172 -0.085 25856 1045 1 3 . 1 1 52 52 LYS C C 52 176.315 176.315 175.535 0.780 25856 1046 1 3 . 1 1 52 52 LYS CA C 52 54.652 54.652 54.911 -0.259 25856 1047 1 3 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.349 -1.752 25856 1048 1 3 . 1 1 52 52 LYS H H 52 8.410 8.410 8.214 0.196 25856 1049 1 3 . 1 1 53 53 VAL N N 53 114.761 114.761 121.323 -6.562 25856 1050 1 3 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.639 0.611 25856 1051 1 3 . 1 1 53 53 VAL C C 53 174.278 174.278 174.184 0.094 25856 1052 1 3 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.113 -1.133 25856 1053 1 3 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.514 0.748 25856 1054 1 3 . 1 1 53 53 VAL H H 53 8.693 8.693 9.182 -0.489 25856 1055 1 3 . 1 1 54 54 THR N N 54 117.231 117.231 119.071 -1.840 25856 1056 1 3 . 1 1 54 54 THR HA H 54 4.837 4.837 4.830 0.007 25856 1057 1 3 . 1 1 54 54 THR C C 54 173.923 173.923 173.540 0.383 25856 1058 1 3 . 1 1 54 54 THR CA C 54 62.448 62.448 62.752 -0.304 25856 1059 1 3 . 1 1 54 54 THR CB C 54 69.891 69.891 69.285 0.606 25856 1060 1 3 . 1 1 54 54 THR H H 54 8.296 8.296 8.609 -0.313 25856 1061 1 3 . 1 1 55 55 VAL N N 55 124.203 124.203 127.664 -3.461 25856 1062 1 3 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.857 -0.025 25856 1063 1 3 . 1 1 55 55 VAL C C 55 174.106 174.106 173.666 0.440 25856 1064 1 3 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.440 0.111 25856 1065 1 3 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.654 -0.078 25856 1066 1 3 . 1 1 55 55 VAL H H 55 9.331 9.331 9.327 0.004 25856 1067 1 3 . 1 1 56 56 GLU N N 56 123.984 123.984 129.637 -5.653 25856 1068 1 3 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.166 0.054 25856 1069 1 3 . 1 1 56 56 GLU C C 56 176.645 176.645 175.809 0.836 25856 1070 1 3 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.453 -1.051 25856 1071 1 3 . 1 1 56 56 GLU CB C 56 32.700 32.700 31.140 1.560 25856 1072 1 3 . 1 1 56 56 GLU H H 56 9.143 9.143 9.133 0.010 25856 1073 1 3 . 1 1 57 57 MET N N 57 123.465 123.465 121.547 1.918 25856 1074 1 3 . 1 1 57 57 MET HA H 57 4.795 4.795 5.012 -0.217 25856 1075 1 3 . 1 1 57 57 MET C C 57 174.899 174.899 174.568 0.331 25856 1076 1 3 . 1 1 57 57 MET CA C 57 54.339 54.339 54.215 0.124 25856 1077 1 3 . 1 1 57 57 MET CB C 57 36.252 36.252 36.592 -0.340 25856 1078 1 3 . 1 1 57 57 MET H H 57 9.173 9.173 9.165 0.008 25856 1079 1 3 . 1 1 58 58 SER N N 58 117.390 117.390 118.391 -1.001 25856 1080 1 3 . 1 1 58 58 SER HA H 58 5.039 5.039 4.759 0.280 25856 1081 1 3 . 1 1 58 58 SER C C 58 174.693 174.693 174.550 0.143 25856 1082 1 3 . 1 1 58 58 SER CA C 58 54.932 54.932 56.592 -1.660 25856 1083 1 3 . 1 1 58 58 SER CB C 58 64.587 64.587 63.073 1.514 25856 1084 1 3 . 1 1 58 58 SER H H 58 9.184 9.184 9.012 0.172 25856 1085 1 3 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.359 -0.253 25856 1086 1 3 . 1 1 59 59 PRO C C 59 176.290 176.290 176.424 -0.134 25856 1087 1 3 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.916 -1.063 25856 1088 1 3 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.748 0.018 25856 1089 1 3 . 1 1 60 60 TYR N N 60 113.938 113.938 115.764 -1.826 25856 1090 1 3 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.654 -0.165 25856 1091 1 3 . 1 1 60 60 TYR C C 60 175.439 175.439 174.647 0.792 25856 1092 1 3 . 1 1 60 60 TYR CA C 60 57.342 57.342 57.484 -0.142 25856 1093 1 3 . 1 1 60 60 TYR CB C 60 38.293 38.293 38.820 -0.527 25856 1094 1 3 . 1 1 60 60 TYR H H 60 7.307 7.307 7.824 -0.517 25856 1095 1 3 . 1 1 61 61 ASP N N 61 118.283 118.283 118.828 -0.545 25856 1096 1 3 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.522 0.245 25856 1097 1 3 . 1 1 61 61 ASP C C 61 174.996 174.996 176.579 -1.583 25856 1098 1 3 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.398 -0.556 25856 1099 1 3 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.447 -2.026 25856 1100 1 3 . 1 1 61 61 ASP H H 61 7.418 7.418 7.908 -0.490 25856 1101 1 3 . 1 1 62 62 LEU N N 62 124.044 124.044 117.198 6.846 25856 1102 1 3 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.908 0.579 25856 1103 1 3 . 1 1 62 62 LEU C C 62 177.109 177.109 176.066 1.043 25856 1104 1 3 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.931 -0.701 25856 1105 1 3 . 1 1 62 62 LEU CB C 62 40.930 40.930 40.318 0.612 25856 1106 1 3 . 1 1 62 62 LEU H H 62 8.743 8.743 8.311 0.432 25856 1107 1 3 . 1 1 63 63 THR N N 63 107.624 107.624 110.681 -3.057 25856 1108 1 3 . 1 1 63 63 THR HA H 63 4.608 4.608 4.284 0.324 25856 1109 1 3 . 1 1 63 63 THR C C 63 174.873 174.873 173.451 1.422 25856 1110 1 3 . 1 1 63 63 THR CA C 63 62.686 62.686 61.909 0.777 25856 1111 1 3 . 1 1 63 63 THR CB C 63 70.393 70.393 70.550 -0.158 25856 1112 1 3 . 1 1 63 63 THR H H 63 8.415 8.415 8.703 -0.288 25856 1113 1 3 . 1 1 64 64 ARG N N 64 120.138 120.138 120.245 -0.107 25856 1114 1 3 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.718 -0.099 25856 1115 1 3 . 1 1 64 64 ARG C C 64 174.858 174.858 175.032 -0.174 25856 1116 1 3 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.752 0.466 25856 1117 1 3 . 1 1 64 64 ARG CB C 64 34.526 34.526 34.515 0.011 25856 1118 1 3 . 1 1 64 64 ARG H H 64 7.200 7.200 8.553 -1.353 25856 1119 1 3 . 1 1 65 65 GLY N N 65 106.034 106.034 106.740 -0.706 25856 1120 1 3 . 1 1 65 65 GLY C C 65 171.075 171.075 172.047 -0.972 25856 1121 1 3 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.220 0.133 25856 1122 1 3 . 1 1 65 65 GLY H H 65 8.618 8.618 8.056 0.562 25856 1123 1 3 . 1 1 66 66 ARG N N 66 118.635 118.635 119.428 -0.793 25856 1124 1 3 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.625 -0.639 25856 1125 1 3 . 1 1 66 66 ARG C C 66 175.345 175.345 174.395 0.950 25856 1126 1 3 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.322 -0.631 25856 1127 1 3 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.913 -1.502 25856 1128 1 3 . 1 1 66 66 ARG H H 66 8.621 8.621 8.727 -0.106 25856 1129 1 3 . 1 1 67 67 ILE N N 67 125.220 125.220 127.086 -1.866 25856 1130 1 3 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.904 -0.502 25856 1131 1 3 . 1 1 67 67 ILE C C 67 176.084 176.084 176.142 -0.058 25856 1132 1 3 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.388 1.911 25856 1133 1 3 . 1 1 67 67 ILE CB C 67 39.359 39.359 38.966 0.393 25856 1134 1 3 . 1 1 67 67 ILE H H 67 9.083 9.083 9.119 -0.036 25856 1135 1 3 . 1 1 68 68 THR N N 68 117.584 117.584 119.685 -2.101 25856 1136 1 3 . 1 1 68 68 THR HA H 68 4.435 4.435 4.752 -0.317 25856 1137 1 3 . 1 1 68 68 THR C C 68 174.406 174.406 174.284 0.122 25856 1138 1 3 . 1 1 68 68 THR CA C 68 61.164 61.164 61.123 0.041 25856 1139 1 3 . 1 1 68 68 THR CB C 68 69.514 69.514 70.743 -1.230 25856 1140 1 3 . 1 1 68 68 THR H H 68 8.691 8.691 8.491 0.200 25856 1141 1 3 . 1 1 69 69 TYR N N 69 120.904 120.904 121.522 -0.618 25856 1142 1 3 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.693 -0.340 25856 1143 1 3 . 1 1 69 69 TYR C C 69 172.657 172.657 173.061 -0.404 25856 1144 1 3 . 1 1 69 69 TYR CA C 69 58.734 58.734 58.272 0.462 25856 1145 1 3 . 1 1 69 69 TYR CB C 69 41.431 41.431 42.306 -0.875 25856 1146 1 3 . 1 1 69 69 TYR H H 69 7.479 7.479 7.570 -0.091 25856 1147 1 3 . 1 1 70 70 ARG N N 70 125.781 125.781 123.614 2.167 25856 1148 1 3 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.453 0.238 25856 1149 1 3 . 1 1 70 70 ARG C C 70 174.016 174.016 174.225 -0.209 25856 1150 1 3 . 1 1 70 70 ARG CA C 70 54.661 54.661 55.133 -0.472 25856 1151 1 3 . 1 1 70 70 ARG CB C 70 31.816 31.816 31.284 0.532 25856 1152 1 3 . 1 1 70 70 ARG H H 70 7.439 7.439 7.933 -0.494 25856 1153 1 3 . 1 1 71 71 TYR N N 71 124.942 124.942 126.777 -1.835 25856 1154 1 3 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.568 -0.317 25856 1155 1 3 . 1 1 71 71 TYR C C 71 175.278 175.278 174.151 1.127 25856 1156 1 3 . 1 1 71 71 TYR CA C 71 58.445 58.445 56.933 1.512 25856 1157 1 3 . 1 1 71 71 TYR CB C 71 38.803 38.803 41.487 -2.684 25856 1158 1 3 . 1 1 71 71 TYR H H 71 8.478 8.478 8.375 0.103 25856 1159 1 4 . 1 1 5 5 ASP N N 5 121.636 121.636 124.005 -2.369 25856 1160 1 4 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.719 -0.138 25856 1161 1 4 . 1 1 5 5 ASP C C 5 175.317 175.317 175.427 -0.110 25856 1162 1 4 . 1 1 5 5 ASP CA C 5 54.687 54.687 53.858 0.829 25856 1163 1 4 . 1 1 5 5 ASP CB C 5 41.260 41.260 42.122 -0.862 25856 1164 1 4 . 1 1 5 5 ASP H H 5 8.370 8.370 8.430 -0.060 25856 1165 1 4 . 1 1 6 6 VAL N N 6 116.054 116.054 119.840 -3.786 25856 1166 1 4 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.268 0.287 25856 1167 1 4 . 1 1 6 6 VAL C C 6 174.969 174.969 174.442 0.527 25856 1168 1 4 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.559 0.390 25856 1169 1 4 . 1 1 6 6 VAL CB C 6 35.032 35.032 35.718 -0.686 25856 1170 1 4 . 1 1 6 6 VAL H H 6 7.702 7.702 8.168 -0.466 25856 1171 1 4 . 1 1 7 7 ILE N N 7 123.240 123.240 124.645 -1.405 25856 1172 1 4 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.325 0.057 25856 1173 1 4 . 1 1 7 7 ILE C C 7 174.177 174.177 174.634 -0.457 25856 1174 1 4 . 1 1 7 7 ILE CA C 7 60.100 60.100 60.354 -0.254 25856 1175 1 4 . 1 1 7 7 ILE CB C 7 40.712 40.712 39.472 1.240 25856 1176 1 4 . 1 1 7 7 ILE H H 7 8.748 8.748 9.100 -0.352 25856 1177 1 4 . 1 1 8 8 GLU N N 8 124.266 124.266 128.231 -3.965 25856 1178 1 4 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.340 0.010 25856 1179 1 4 . 1 1 8 8 GLU C C 8 175.592 175.592 174.962 0.630 25856 1180 1 4 . 1 1 8 8 GLU CA C 8 54.724 54.724 54.259 0.465 25856 1181 1 4 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.617 2.893 25856 1182 1 4 . 1 1 8 8 GLU H H 8 8.236 8.236 8.638 -0.402 25856 1183 1 4 . 1 1 9 9 LEU N N 9 125.462 125.462 125.301 0.161 25856 1184 1 4 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.836 -0.059 25856 1185 1 4 . 1 1 9 9 LEU C C 9 174.654 174.654 175.818 -1.164 25856 1186 1 4 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.316 0.557 25856 1187 1 4 . 1 1 9 9 LEU CB C 9 47.173 47.173 45.957 1.216 25856 1188 1 4 . 1 1 9 9 LEU H H 9 8.947 8.947 9.060 -0.113 25856 1189 1 4 . 1 1 10 10 GLU N N 10 119.884 119.884 118.884 1.000 25856 1190 1 4 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.395 -0.219 25856 1191 1 4 . 1 1 10 10 GLU C C 10 176.424 176.424 175.886 0.538 25856 1192 1 4 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.911 0.361 25856 1193 1 4 . 1 1 10 10 GLU CB C 10 31.815 31.815 33.101 -1.286 25856 1194 1 4 . 1 1 10 10 GLU H H 10 8.697 8.697 8.553 0.144 25856 1195 1 4 . 1 1 11 11 GLY N N 11 107.302 107.302 108.558 -1.256 25856 1196 1 4 . 1 1 11 11 GLY C C 11 171.493 171.493 172.511 -1.018 25856 1197 1 4 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.014 0.668 25856 1198 1 4 . 1 1 11 11 GLY H H 11 8.896 8.896 8.794 0.102 25856 1199 1 4 . 1 1 12 12 THR N N 12 115.723 115.723 115.549 0.174 25856 1200 1 4 . 1 1 12 12 THR HA H 12 5.057 5.057 5.252 -0.195 25856 1201 1 4 . 1 1 12 12 THR C C 12 174.347 174.347 173.469 0.878 25856 1202 1 4 . 1 1 12 12 THR CA C 12 61.226 61.226 61.597 -0.371 25856 1203 1 4 . 1 1 12 12 THR CB C 12 71.245 71.245 71.582 -0.337 25856 1204 1 4 . 1 1 12 12 THR H H 12 8.551 8.551 8.752 -0.201 25856 1205 1 4 . 1 1 13 13 VAL N N 13 127.141 127.141 127.816 -0.675 25856 1206 1 4 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.631 -0.831 25856 1207 1 4 . 1 1 13 13 VAL C C 13 175.760 175.760 174.382 1.378 25856 1208 1 4 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.165 3.353 25856 1209 1 4 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.254 -1.699 25856 1210 1 4 . 1 1 13 13 VAL H H 13 9.135 9.135 8.548 0.587 25856 1211 1 4 . 1 1 14 14 LEU N N 14 129.942 129.942 130.157 -0.215 25856 1212 1 4 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.589 -0.039 25856 1213 1 4 . 1 1 14 14 LEU C C 14 176.277 176.277 176.813 -0.536 25856 1214 1 4 . 1 1 14 14 LEU CA C 14 55.675 55.675 56.055 -0.380 25856 1215 1 4 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.957 1.047 25856 1216 1 4 . 1 1 14 14 LEU H H 14 9.536 9.536 8.780 0.756 25856 1217 1 4 . 1 1 15 15 ASP N N 15 113.621 113.621 118.552 -4.931 25856 1218 1 4 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.966 0.012 25856 1219 1 4 . 1 1 15 15 ASP C C 15 174.864 174.864 175.010 -0.146 25856 1220 1 4 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.053 0.264 25856 1221 1 4 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.052 0.718 25856 1222 1 4 . 1 1 15 15 ASP H H 15 7.609 7.609 7.640 -0.031 25856 1223 1 4 . 1 1 16 16 THR N N 16 115.901 115.901 113.427 2.474 25856 1224 1 4 . 1 1 16 16 THR HA H 16 4.298 4.298 4.416 -0.118 25856 1225 1 4 . 1 1 16 16 THR C C 16 172.704 172.704 173.504 -0.800 25856 1226 1 4 . 1 1 16 16 THR CA C 16 60.251 60.251 61.898 -1.647 25856 1227 1 4 . 1 1 16 16 THR CB C 16 69.494 69.494 68.853 0.641 25856 1228 1 4 . 1 1 16 16 THR H H 16 8.841 8.841 8.317 0.524 25856 1229 1 4 . 1 1 17 17 LEU N N 17 125.747 125.747 125.992 -0.245 25856 1230 1 4 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.763 -0.080 25856 1231 1 4 . 1 1 17 17 LEU C C 17 174.509 174.509 175.375 -0.866 25856 1232 1 4 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.095 1.699 25856 1233 1 4 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.663 -0.082 25856 1234 1 4 . 1 1 17 17 LEU H H 17 7.913 7.913 7.700 0.213 25856 1235 1 4 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.184 0.140 25856 1236 1 4 . 1 1 18 18 PRO C C 18 175.973 175.973 176.944 -0.971 25856 1237 1 4 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.186 -0.037 25856 1238 1 4 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.024 0.204 25856 1239 1 4 . 1 1 19 19 ASN N N 19 115.147 115.147 118.675 -3.528 25856 1240 1 4 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.231 0.000 25856 1241 1 4 . 1 1 19 19 ASN C C 19 174.180 174.180 174.712 -0.532 25856 1242 1 4 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.469 0.630 25856 1243 1 4 . 1 1 19 19 ASN CB C 19 36.910 36.910 38.133 -1.224 25856 1244 1 4 . 1 1 19 19 ASN H H 19 8.598 8.598 8.768 -0.170 25856 1245 1 4 . 1 1 20 20 ALA N N 20 116.191 116.191 115.115 1.076 25856 1246 1 4 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.540 0.261 25856 1247 1 4 . 1 1 20 20 ALA C C 20 174.990 174.990 175.166 -0.176 25856 1248 1 4 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.888 0.068 25856 1249 1 4 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.413 -0.870 25856 1250 1 4 . 1 1 20 20 ALA H H 20 8.335 8.335 8.035 0.300 25856 1251 1 4 . 1 1 21 21 MET N N 21 113.560 113.560 116.733 -3.173 25856 1252 1 4 . 1 1 21 21 MET HA H 21 5.124 5.124 4.931 0.193 25856 1253 1 4 . 1 1 21 21 MET C C 21 175.205 175.205 174.454 0.751 25856 1254 1 4 . 1 1 21 21 MET CA C 21 54.597 54.597 54.372 0.225 25856 1255 1 4 . 1 1 21 21 MET CB C 21 35.150 35.150 35.500 -0.350 25856 1256 1 4 . 1 1 21 21 MET H H 21 6.302 6.302 6.961 -0.659 25856 1257 1 4 . 1 1 22 22 PHE N N 22 117.199 117.199 118.707 -1.508 25856 1258 1 4 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.795 0.123 25856 1259 1 4 . 1 1 22 22 PHE C C 22 174.697 174.697 173.904 0.793 25856 1260 1 4 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.049 0.083 25856 1261 1 4 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.796 -0.662 25856 1262 1 4 . 1 1 22 22 PHE H H 22 9.007 9.007 9.256 -0.249 25856 1263 1 4 . 1 1 23 23 LYS N N 23 122.934 122.934 124.189 -1.255 25856 1264 1 4 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.882 0.235 25856 1265 1 4 . 1 1 23 23 LYS C C 23 175.853 175.853 175.053 0.800 25856 1266 1 4 . 1 1 23 23 LYS CA C 23 55.596 55.596 56.013 -0.417 25856 1267 1 4 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.319 0.703 25856 1268 1 4 . 1 1 23 23 LYS H H 23 8.340 8.340 8.613 -0.273 25856 1269 1 4 . 1 1 24 24 VAL N N 24 128.487 128.487 127.090 1.397 25856 1270 1 4 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.519 0.122 25856 1271 1 4 . 1 1 24 24 VAL C C 24 173.199 173.199 174.094 -0.895 25856 1272 1 4 . 1 1 24 24 VAL CA C 24 60.705 60.705 61.572 -0.867 25856 1273 1 4 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.292 1.317 25856 1274 1 4 . 1 1 24 24 VAL H H 24 9.123 9.123 8.941 0.182 25856 1275 1 4 . 1 1 25 25 GLU N N 25 127.440 127.440 126.766 0.674 25856 1276 1 4 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.075 -0.362 25856 1277 1 4 . 1 1 25 25 GLU C C 25 176.358 176.358 175.782 0.576 25856 1278 1 4 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.460 0.447 25856 1279 1 4 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.602 -0.963 25856 1280 1 4 . 1 1 25 25 GLU H H 25 9.017 9.017 9.169 -0.152 25856 1281 1 4 . 1 1 26 26 LEU N N 26 128.629 128.629 126.824 1.805 25856 1282 1 4 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.373 0.431 25856 1283 1 4 . 1 1 26 26 LEU C C 26 179.339 179.339 178.808 0.531 25856 1284 1 4 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.349 -0.527 25856 1285 1 4 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.761 0.807 25856 1286 1 4 . 1 1 26 26 LEU H H 26 9.101 9.101 9.045 0.056 25856 1287 1 4 . 1 1 27 27 GLU N N 27 119.613 119.613 121.189 -1.576 25856 1288 1 4 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.083 0.079 25856 1289 1 4 . 1 1 27 27 GLU C C 27 175.724 175.724 177.413 -1.689 25856 1290 1 4 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.979 -0.590 25856 1291 1 4 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.093 0.589 25856 1292 1 4 . 1 1 27 27 GLU H H 27 8.794 8.794 8.984 -0.190 25856 1293 1 4 . 1 1 28 28 ASN N N 28 114.625 114.625 117.894 -3.269 25856 1294 1 4 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.678 -0.067 25856 1295 1 4 . 1 1 28 28 ASN C C 28 176.299 176.299 176.063 0.236 25856 1296 1 4 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.133 -0.652 25856 1297 1 4 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.466 -0.760 25856 1298 1 4 . 1 1 28 28 ASN H H 28 7.183 7.183 7.968 -0.785 25856 1299 1 4 . 1 1 29 29 GLY N N 29 107.903 107.903 107.503 0.400 25856 1300 1 4 . 1 1 29 29 GLY C C 29 174.243 174.243 173.471 0.772 25856 1301 1 4 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.415 -0.108 25856 1302 1 4 . 1 1 29 29 GLY H H 29 6.899 6.899 7.775 -0.876 25856 1303 1 4 . 1 1 30 30 HIS N N 30 118.953 118.953 120.367 -1.414 25856 1304 1 4 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.742 -0.078 25856 1305 1 4 . 1 1 30 30 HIS C C 30 173.476 173.476 173.541 -0.065 25856 1306 1 4 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.221 0.726 25856 1307 1 4 . 1 1 30 30 HIS CB C 30 30.161 30.161 30.918 -0.756 25856 1308 1 4 . 1 1 30 30 HIS H H 30 7.739 7.739 8.131 -0.392 25856 1309 1 4 . 1 1 31 31 GLU N N 31 123.512 123.512 125.487 -1.975 25856 1310 1 4 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.067 0.174 25856 1311 1 4 . 1 1 31 31 GLU C C 31 176.181 176.181 175.538 0.643 25856 1312 1 4 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.078 0.010 25856 1313 1 4 . 1 1 31 31 GLU CB C 31 31.883 31.883 31.081 0.802 25856 1314 1 4 . 1 1 31 31 GLU H H 31 8.495 8.495 8.601 -0.106 25856 1315 1 4 . 1 1 32 32 ILE N N 32 117.654 117.654 115.534 2.120 25856 1316 1 4 . 1 1 32 32 ILE HA H 32 4.714 4.714 5.136 -0.422 25856 1317 1 4 . 1 1 32 32 ILE C C 32 174.438 174.438 174.009 0.429 25856 1318 1 4 . 1 1 32 32 ILE CA C 32 59.190 59.190 58.940 0.250 25856 1319 1 4 . 1 1 32 32 ILE CB C 32 43.234 43.234 42.123 1.111 25856 1320 1 4 . 1 1 32 32 ILE H H 32 9.005 9.005 9.016 -0.011 25856 1321 1 4 . 1 1 33 33 LEU N N 33 122.166 122.166 122.866 -0.700 25856 1322 1 4 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.243 -0.026 25856 1323 1 4 . 1 1 33 33 LEU C C 33 176.190 176.190 175.912 0.278 25856 1324 1 4 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.430 0.413 25856 1325 1 4 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.477 0.281 25856 1326 1 4 . 1 1 33 33 LEU H H 33 7.713 7.713 8.149 -0.436 25856 1327 1 4 . 1 1 34 34 ALA N N 34 125.096 125.096 125.687 -0.591 25856 1328 1 4 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.299 0.193 25856 1329 1 4 . 1 1 34 34 ALA C C 34 175.700 175.700 175.344 0.356 25856 1330 1 4 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.176 0.081 25856 1331 1 4 . 1 1 34 34 ALA CB C 34 23.151 23.151 22.897 0.254 25856 1332 1 4 . 1 1 34 34 ALA H H 34 9.442 9.442 9.056 0.386 25856 1333 1 4 . 1 1 35 35 HIS N N 35 117.670 117.670 122.474 -4.804 25856 1334 1 4 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.472 0.036 25856 1335 1 4 . 1 1 35 35 HIS C C 35 174.787 174.787 175.369 -0.582 25856 1336 1 4 . 1 1 35 35 HIS CA C 35 54.429 54.429 55.068 -0.639 25856 1337 1 4 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.259 -0.081 25856 1338 1 4 . 1 1 35 35 HIS H H 35 7.751 7.751 8.475 -0.724 25856 1339 1 4 . 1 1 36 36 VAL N N 36 119.236 119.236 121.180 -1.944 25856 1340 1 4 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.374 0.028 25856 1341 1 4 . 1 1 36 36 VAL C C 36 175.551 175.551 175.882 -0.331 25856 1342 1 4 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.573 0.760 25856 1343 1 4 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.975 0.414 25856 1344 1 4 . 1 1 36 36 VAL H H 36 9.217 9.217 8.068 1.149 25856 1345 1 4 . 1 1 37 37 SER N N 37 119.884 119.884 118.652 1.232 25856 1346 1 4 . 1 1 37 37 SER HA H 37 4.425 4.425 4.480 -0.055 25856 1347 1 4 . 1 1 37 37 SER C C 37 175.003 175.003 176.079 -1.076 25856 1348 1 4 . 1 1 37 37 SER CA C 37 57.971 57.971 58.345 -0.374 25856 1349 1 4 . 1 1 37 37 SER CB C 37 64.761 64.761 64.622 0.139 25856 1350 1 4 . 1 1 37 37 SER H H 37 8.375 8.375 8.168 0.207 25856 1351 1 4 . 1 1 38 38 GLY N N 38 122.166 122.166 108.892 13.274 25856 1352 1 4 . 1 1 38 38 GLY C C 38 175.253 175.253 176.052 -0.799 25856 1353 1 4 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.722 0.033 25856 1354 1 4 . 1 1 38 38 GLY H H 38 8.822 8.822 8.961 -0.139 25856 1355 1 4 . 1 1 39 39 LYS N N 39 120.070 120.070 121.365 -1.295 25856 1356 1 4 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.222 -0.165 25856 1357 1 4 . 1 1 39 39 LYS C C 39 177.734 177.734 178.367 -0.633 25856 1358 1 4 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.478 -0.442 25856 1359 1 4 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.577 0.411 25856 1360 1 4 . 1 1 39 39 LYS H H 39 8.135 8.135 7.506 0.629 25856 1361 1 4 . 1 1 40 40 ILE N N 40 117.925 117.925 119.235 -1.310 25856 1362 1 4 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.892 0.138 25856 1363 1 4 . 1 1 40 40 ILE C C 40 176.736 176.736 177.367 -0.631 25856 1364 1 4 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.394 -1.637 25856 1365 1 4 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.134 -0.332 25856 1366 1 4 . 1 1 40 40 ILE H H 40 7.416 7.416 7.601 -0.185 25856 1367 1 4 . 1 1 41 41 ARG N N 41 122.141 122.141 120.764 1.377 25856 1368 1 4 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.116 -0.010 25856 1369 1 4 . 1 1 41 41 ARG C C 41 177.543 177.543 178.064 -0.521 25856 1370 1 4 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.640 -0.604 25856 1371 1 4 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.070 0.040 25856 1372 1 4 . 1 1 41 41 ARG H H 41 7.912 7.912 7.968 -0.056 25856 1373 1 4 . 1 1 42 42 MET N N 42 118.223 118.223 115.868 2.355 25856 1374 1 4 . 1 1 42 42 MET HA H 42 4.281 4.281 4.358 -0.077 25856 1375 1 4 . 1 1 42 42 MET C C 42 175.862 175.862 177.239 -1.377 25856 1376 1 4 . 1 1 42 42 MET CA C 42 56.299 56.299 56.123 0.176 25856 1377 1 4 . 1 1 42 42 MET CB C 42 32.465 32.465 32.225 0.240 25856 1378 1 4 . 1 1 42 42 MET H H 42 8.090 8.090 7.934 0.156 25856 1379 1 4 . 1 1 43 43 ASN N N 43 117.020 117.020 118.038 -1.018 25856 1380 1 4 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.607 0.015 25856 1381 1 4 . 1 1 43 43 ASN C C 43 174.616 174.616 175.491 -0.875 25856 1382 1 4 . 1 1 43 43 ASN CA C 43 53.276 53.276 53.229 0.047 25856 1383 1 4 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.651 -1.820 25856 1384 1 4 . 1 1 43 43 ASN H H 43 7.843 7.843 7.532 0.311 25856 1385 1 4 . 1 1 44 44 TYR N N 44 117.998 117.998 117.389 0.609 25856 1386 1 4 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.589 -0.242 25856 1387 1 4 . 1 1 44 44 TYR C C 44 175.211 175.211 176.915 -1.704 25856 1388 1 4 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.702 -0.050 25856 1389 1 4 . 1 1 44 44 TYR CB C 44 37.603 37.603 37.908 -0.305 25856 1390 1 4 . 1 1 44 44 TYR H H 44 7.712 7.712 8.824 -1.112 25856 1391 1 4 . 1 1 45 45 ILE N N 45 120.711 120.711 117.964 2.747 25856 1392 1 4 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.224 -0.281 25856 1393 1 4 . 1 1 45 45 ILE C C 45 173.895 173.895 175.123 -1.228 25856 1394 1 4 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.368 0.886 25856 1395 1 4 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.977 2.596 25856 1396 1 4 . 1 1 45 45 ILE H H 45 7.466 7.466 7.613 -0.147 25856 1397 1 4 . 1 1 46 46 ARG N N 46 124.912 124.912 121.419 3.493 25856 1398 1 4 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.200 0.184 25856 1399 1 4 . 1 1 46 46 ARG C C 46 174.759 174.759 176.389 -1.630 25856 1400 1 4 . 1 1 46 46 ARG CA C 46 55.534 55.534 56.037 -0.503 25856 1401 1 4 . 1 1 46 46 ARG CB C 46 30.762 30.762 30.900 -0.138 25856 1402 1 4 . 1 1 46 46 ARG H H 46 8.077 8.077 7.750 0.327 25856 1403 1 4 . 1 1 47 47 ILE N N 47 125.326 125.326 123.358 1.968 25856 1404 1 4 . 1 1 47 47 ILE HA H 47 4.024 4.024 3.882 0.142 25856 1405 1 4 . 1 1 47 47 ILE C C 47 173.922 173.922 175.041 -1.119 25856 1406 1 4 . 1 1 47 47 ILE CA C 47 60.862 60.862 60.016 0.846 25856 1407 1 4 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.118 0.608 25856 1408 1 4 . 1 1 47 47 ILE H H 47 7.966 7.966 8.097 -0.131 25856 1409 1 4 . 1 1 48 48 LEU N N 48 128.989 128.989 127.820 1.169 25856 1410 1 4 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.800 0.064 25856 1411 1 4 . 1 1 48 48 LEU C C 48 174.217 174.217 174.405 -0.188 25856 1412 1 4 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.056 0.659 25856 1413 1 4 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.368 -0.845 25856 1414 1 4 . 1 1 48 48 LEU H H 48 8.765 8.765 8.180 0.585 25856 1415 1 4 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.177 -0.319 25856 1416 1 4 . 1 1 49 49 PRO C C 49 176.960 176.960 177.617 -0.657 25856 1417 1 4 . 1 1 49 49 PRO CA C 49 63.941 63.941 63.941 -0.000 25856 1418 1 4 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.822 -0.566 25856 1419 1 4 . 1 1 50 50 GLY N N 50 114.638 114.638 113.947 0.691 25856 1420 1 4 . 1 1 50 50 GLY C C 50 174.448 174.448 174.367 0.081 25856 1421 1 4 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.649 0.058 25856 1422 1 4 . 1 1 50 50 GLY H H 50 9.317 9.317 9.128 0.189 25856 1423 1 4 . 1 1 51 51 ASP N N 51 121.882 121.882 122.277 -0.395 25856 1424 1 4 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.780 -0.247 25856 1425 1 4 . 1 1 51 51 ASP C C 51 175.327 175.327 174.450 0.877 25856 1426 1 4 . 1 1 51 51 ASP CA C 51 55.393 55.393 52.880 2.513 25856 1427 1 4 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.506 -1.309 25856 1428 1 4 . 1 1 51 51 ASP H H 51 8.099 8.099 7.675 0.424 25856 1429 1 4 . 1 1 52 52 LYS N N 52 121.338 121.338 122.095 -0.757 25856 1430 1 4 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.043 0.044 25856 1431 1 4 . 1 1 52 52 LYS C C 52 176.315 176.315 175.529 0.786 25856 1432 1 4 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.270 -0.618 25856 1433 1 4 . 1 1 52 52 LYS CB C 52 32.597 32.597 33.817 -1.220 25856 1434 1 4 . 1 1 52 52 LYS H H 52 8.410 8.410 8.303 0.107 25856 1435 1 4 . 1 1 53 53 VAL N N 53 114.761 114.761 120.841 -6.080 25856 1436 1 4 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.634 0.616 25856 1437 1 4 . 1 1 53 53 VAL C C 53 174.278 174.278 174.355 -0.077 25856 1438 1 4 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.147 -1.167 25856 1439 1 4 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.411 0.851 25856 1440 1 4 . 1 1 53 53 VAL H H 53 8.693 8.693 9.033 -0.340 25856 1441 1 4 . 1 1 54 54 THR N N 54 117.231 117.231 118.762 -1.531 25856 1442 1 4 . 1 1 54 54 THR HA H 54 4.837 4.837 4.900 -0.063 25856 1443 1 4 . 1 1 54 54 THR C C 54 173.923 173.923 173.290 0.633 25856 1444 1 4 . 1 1 54 54 THR CA C 54 62.448 62.448 62.407 0.041 25856 1445 1 4 . 1 1 54 54 THR CB C 54 69.891 69.891 69.084 0.807 25856 1446 1 4 . 1 1 54 54 THR H H 54 8.296 8.296 8.722 -0.426 25856 1447 1 4 . 1 1 55 55 VAL N N 55 124.203 124.203 126.968 -2.765 25856 1448 1 4 . 1 1 55 55 VAL HA H 55 4.832 4.832 5.161 -0.329 25856 1449 1 4 . 1 1 55 55 VAL C C 55 174.106 174.106 173.787 0.319 25856 1450 1 4 . 1 1 55 55 VAL CA C 55 59.551 59.551 58.742 0.809 25856 1451 1 4 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.045 -0.469 25856 1452 1 4 . 1 1 55 55 VAL H H 55 9.331 9.331 9.260 0.071 25856 1453 1 4 . 1 1 56 56 GLU N N 56 123.984 123.984 127.585 -3.601 25856 1454 1 4 . 1 1 56 56 GLU HA H 56 5.220 5.220 4.955 0.265 25856 1455 1 4 . 1 1 56 56 GLU C C 56 176.645 176.645 175.377 1.268 25856 1456 1 4 . 1 1 56 56 GLU CA C 56 54.402 54.402 54.756 -0.354 25856 1457 1 4 . 1 1 56 56 GLU CB C 56 32.700 32.700 31.122 1.578 25856 1458 1 4 . 1 1 56 56 GLU H H 56 9.143 9.143 8.786 0.357 25856 1459 1 4 . 1 1 57 57 MET N N 57 123.465 123.465 123.159 0.306 25856 1460 1 4 . 1 1 57 57 MET HA H 57 4.795 4.795 4.994 -0.199 25856 1461 1 4 . 1 1 57 57 MET C C 57 174.899 174.899 175.461 -0.562 25856 1462 1 4 . 1 1 57 57 MET CA C 57 54.339 54.339 53.887 0.452 25856 1463 1 4 . 1 1 57 57 MET CB C 57 36.252 36.252 37.610 -1.358 25856 1464 1 4 . 1 1 57 57 MET H H 57 9.173 9.173 9.217 -0.044 25856 1465 1 4 . 1 1 58 58 SER N N 58 117.390 117.390 117.654 -0.264 25856 1466 1 4 . 1 1 58 58 SER HA H 58 5.039 5.039 4.802 0.237 25856 1467 1 4 . 1 1 58 58 SER C C 58 174.693 174.693 174.285 0.408 25856 1468 1 4 . 1 1 58 58 SER CA C 58 54.932 54.932 56.951 -2.019 25856 1469 1 4 . 1 1 58 58 SER CB C 58 64.587 64.587 62.400 2.187 25856 1470 1 4 . 1 1 58 58 SER H H 58 9.184 9.184 8.626 0.558 25856 1471 1 4 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.356 -0.250 25856 1472 1 4 . 1 1 59 59 PRO C C 59 176.290 176.290 176.861 -0.571 25856 1473 1 4 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.657 -0.804 25856 1474 1 4 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.846 -0.080 25856 1475 1 4 . 1 1 60 60 TYR N N 60 113.938 113.938 117.850 -3.912 25856 1476 1 4 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.539 -0.050 25856 1477 1 4 . 1 1 60 60 TYR C C 60 175.439 175.439 175.948 -0.509 25856 1478 1 4 . 1 1 60 60 TYR CA C 60 57.342 57.342 58.590 -1.248 25856 1479 1 4 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.336 -1.043 25856 1480 1 4 . 1 1 60 60 TYR H H 60 7.307 7.307 8.269 -0.962 25856 1481 1 4 . 1 1 61 61 ASP N N 61 118.283 118.283 118.888 -0.605 25856 1482 1 4 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.505 0.262 25856 1483 1 4 . 1 1 61 61 ASP C C 61 174.996 174.996 176.517 -1.521 25856 1484 1 4 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.288 -0.446 25856 1485 1 4 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.297 -0.875 25856 1486 1 4 . 1 1 61 61 ASP H H 61 7.418 7.418 7.904 -0.486 25856 1487 1 4 . 1 1 62 62 LEU N N 62 124.044 124.044 118.092 5.952 25856 1488 1 4 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.969 0.518 25856 1489 1 4 . 1 1 62 62 LEU C C 62 177.109 177.109 176.448 0.661 25856 1490 1 4 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.877 -0.647 25856 1491 1 4 . 1 1 62 62 LEU CB C 62 40.930 40.930 40.176 0.754 25856 1492 1 4 . 1 1 62 62 LEU H H 62 8.743 8.743 8.119 0.624 25856 1493 1 4 . 1 1 63 63 THR N N 63 107.624 107.624 112.627 -5.003 25856 1494 1 4 . 1 1 63 63 THR HA H 63 4.608 4.608 4.367 0.241 25856 1495 1 4 . 1 1 63 63 THR C C 63 174.873 174.873 173.098 1.775 25856 1496 1 4 . 1 1 63 63 THR CA C 63 62.686 62.686 62.445 0.241 25856 1497 1 4 . 1 1 63 63 THR CB C 63 70.393 70.393 70.581 -0.188 25856 1498 1 4 . 1 1 63 63 THR H H 63 8.415 8.415 9.048 -0.633 25856 1499 1 4 . 1 1 64 64 ARG N N 64 120.138 120.138 120.815 -0.677 25856 1500 1 4 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.403 0.216 25856 1501 1 4 . 1 1 64 64 ARG C C 64 174.858 174.858 174.034 0.824 25856 1502 1 4 . 1 1 64 64 ARG CA C 64 54.218 54.218 54.237 -0.020 25856 1503 1 4 . 1 1 64 64 ARG CB C 64 34.526 34.526 34.147 0.379 25856 1504 1 4 . 1 1 64 64 ARG H H 64 7.200 7.200 8.725 -1.524 25856 1505 1 4 . 1 1 65 65 GLY N N 65 106.034 106.034 110.808 -4.774 25856 1506 1 4 . 1 1 65 65 GLY C C 65 171.075 171.075 171.914 -0.839 25856 1507 1 4 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.079 0.274 25856 1508 1 4 . 1 1 65 65 GLY H H 65 8.618 8.618 8.975 -0.357 25856 1509 1 4 . 1 1 66 66 ARG N N 66 118.635 118.635 119.044 -0.409 25856 1510 1 4 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.349 -0.363 25856 1511 1 4 . 1 1 66 66 ARG C C 66 175.345 175.345 174.462 0.883 25856 1512 1 4 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.807 -1.117 25856 1513 1 4 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.809 -1.398 25856 1514 1 4 . 1 1 66 66 ARG H H 66 8.621 8.621 8.325 0.296 25856 1515 1 4 . 1 1 67 67 ILE N N 67 125.220 125.220 125.672 -0.452 25856 1516 1 4 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.714 -0.312 25856 1517 1 4 . 1 1 67 67 ILE C C 67 176.084 176.084 176.091 -0.007 25856 1518 1 4 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.965 1.335 25856 1519 1 4 . 1 1 67 67 ILE CB C 67 39.359 39.359 38.165 1.194 25856 1520 1 4 . 1 1 67 67 ILE H H 67 9.083 9.083 8.871 0.212 25856 1521 1 4 . 1 1 68 68 THR N N 68 117.584 117.584 122.155 -4.571 25856 1522 1 4 . 1 1 68 68 THR HA H 68 4.435 4.435 4.505 -0.070 25856 1523 1 4 . 1 1 68 68 THR C C 68 174.406 174.406 174.466 -0.060 25856 1524 1 4 . 1 1 68 68 THR CA C 68 61.164 61.164 61.713 -0.549 25856 1525 1 4 . 1 1 68 68 THR CB C 68 69.514 69.514 70.926 -1.412 25856 1526 1 4 . 1 1 68 68 THR H H 68 8.691 8.691 8.347 0.344 25856 1527 1 4 . 1 1 69 69 TYR N N 69 120.904 120.904 119.912 0.992 25856 1528 1 4 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.663 -0.310 25856 1529 1 4 . 1 1 69 69 TYR C C 69 172.657 172.657 173.459 -0.802 25856 1530 1 4 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.966 0.768 25856 1531 1 4 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.832 -0.401 25856 1532 1 4 . 1 1 69 69 TYR H H 69 7.479 7.479 7.484 -0.005 25856 1533 1 4 . 1 1 70 70 ARG N N 70 125.781 125.781 122.793 2.988 25856 1534 1 4 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.475 0.216 25856 1535 1 4 . 1 1 70 70 ARG C C 70 174.016 174.016 173.357 0.659 25856 1536 1 4 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.676 -0.015 25856 1537 1 4 . 1 1 70 70 ARG CB C 70 31.816 31.816 30.968 0.848 25856 1538 1 4 . 1 1 70 70 ARG H H 70 7.439 7.439 7.759 -0.320 25856 1539 1 4 . 1 1 71 71 TYR N N 71 124.942 124.942 125.602 -0.660 25856 1540 1 4 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.647 -0.396 25856 1541 1 4 . 1 1 71 71 TYR C C 71 175.278 175.278 174.586 0.692 25856 1542 1 4 . 1 1 71 71 TYR CA C 71 58.445 58.445 57.590 0.855 25856 1543 1 4 . 1 1 71 71 TYR CB C 71 38.803 38.803 41.155 -2.352 25856 1544 1 4 . 1 1 71 71 TYR H H 71 8.478 8.478 8.576 -0.098 25856 1545 1 5 . 1 1 5 5 ASP N N 5 121.636 121.636 115.966 5.670 25856 1546 1 5 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.215 0.366 25856 1547 1 5 . 1 1 5 5 ASP C C 5 175.317 175.317 175.408 -0.091 25856 1548 1 5 . 1 1 5 5 ASP CA C 5 54.687 54.687 56.622 -1.935 25856 1549 1 5 . 1 1 5 5 ASP CB C 5 41.260 41.260 40.112 1.148 25856 1550 1 5 . 1 1 5 5 ASP H H 5 8.370 8.370 8.661 -0.291 25856 1551 1 5 . 1 1 6 6 VAL N N 6 116.054 116.054 120.091 -4.037 25856 1552 1 5 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.321 0.234 25856 1553 1 5 . 1 1 6 6 VAL C C 6 174.969 174.969 175.612 -0.643 25856 1554 1 5 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.879 0.070 25856 1555 1 5 . 1 1 6 6 VAL CB C 6 35.032 35.032 33.368 1.664 25856 1556 1 5 . 1 1 6 6 VAL H H 6 7.702 7.702 8.123 -0.421 25856 1557 1 5 . 1 1 7 7 ILE N N 7 123.240 123.240 125.225 -1.985 25856 1558 1 5 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.440 -0.058 25856 1559 1 5 . 1 1 7 7 ILE C C 7 174.177 174.177 174.572 -0.395 25856 1560 1 5 . 1 1 7 7 ILE CA C 7 60.100 60.100 59.879 0.221 25856 1561 1 5 . 1 1 7 7 ILE CB C 7 40.712 40.712 41.026 -0.314 25856 1562 1 5 . 1 1 7 7 ILE H H 7 8.748 8.748 9.045 -0.297 25856 1563 1 5 . 1 1 8 8 GLU N N 8 124.266 124.266 126.139 -1.873 25856 1564 1 5 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.030 0.320 25856 1565 1 5 . 1 1 8 8 GLU C C 8 175.592 175.592 174.945 0.647 25856 1566 1 5 . 1 1 8 8 GLU CA C 8 54.724 54.724 54.697 0.027 25856 1567 1 5 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.060 3.450 25856 1568 1 5 . 1 1 8 8 GLU H H 8 8.236 8.236 8.540 -0.304 25856 1569 1 5 . 1 1 9 9 LEU N N 9 125.462 125.462 125.628 -0.166 25856 1570 1 5 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.856 -0.079 25856 1571 1 5 . 1 1 9 9 LEU C C 9 174.654 174.654 175.989 -1.335 25856 1572 1 5 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.468 0.404 25856 1573 1 5 . 1 1 9 9 LEU CB C 9 47.173 47.173 45.995 1.178 25856 1574 1 5 . 1 1 9 9 LEU H H 9 8.947 8.947 9.125 -0.178 25856 1575 1 5 . 1 1 10 10 GLU N N 10 119.884 119.884 118.814 1.070 25856 1576 1 5 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.549 -0.373 25856 1577 1 5 . 1 1 10 10 GLU C C 10 176.424 176.424 176.216 0.208 25856 1578 1 5 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.629 0.643 25856 1579 1 5 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.860 -1.045 25856 1580 1 5 . 1 1 10 10 GLU H H 10 8.697 8.697 8.579 0.118 25856 1581 1 5 . 1 1 11 11 GLY N N 11 107.302 107.302 107.814 -0.512 25856 1582 1 5 . 1 1 11 11 GLY C C 11 171.493 171.493 172.145 -0.652 25856 1583 1 5 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.334 0.347 25856 1584 1 5 . 1 1 11 11 GLY H H 11 8.896 8.896 8.619 0.277 25856 1585 1 5 . 1 1 12 12 THR N N 12 115.723 115.723 116.283 -0.560 25856 1586 1 5 . 1 1 12 12 THR HA H 12 5.057 5.057 5.227 -0.170 25856 1587 1 5 . 1 1 12 12 THR C C 12 174.347 174.347 173.345 1.002 25856 1588 1 5 . 1 1 12 12 THR CA C 12 61.226 61.226 61.902 -0.676 25856 1589 1 5 . 1 1 12 12 THR CB C 12 71.245 71.245 71.370 -0.125 25856 1590 1 5 . 1 1 12 12 THR H H 12 8.551 8.551 9.012 -0.461 25856 1591 1 5 . 1 1 13 13 VAL N N 13 127.141 127.141 127.359 -0.218 25856 1592 1 5 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.424 -0.624 25856 1593 1 5 . 1 1 13 13 VAL C C 13 175.760 175.760 174.191 1.569 25856 1594 1 5 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.243 3.275 25856 1595 1 5 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.250 -1.695 25856 1596 1 5 . 1 1 13 13 VAL H H 13 9.135 9.135 8.863 0.272 25856 1597 1 5 . 1 1 14 14 LEU N N 14 129.942 129.942 130.404 -0.462 25856 1598 1 5 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.618 -0.068 25856 1599 1 5 . 1 1 14 14 LEU C C 14 176.277 176.277 176.654 -0.377 25856 1600 1 5 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.893 -0.218 25856 1601 1 5 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.805 1.199 25856 1602 1 5 . 1 1 14 14 LEU H H 14 9.536 9.536 8.814 0.722 25856 1603 1 5 . 1 1 15 15 ASP N N 15 113.621 113.621 118.001 -4.380 25856 1604 1 5 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.869 0.109 25856 1605 1 5 . 1 1 15 15 ASP C C 15 174.864 174.864 174.621 0.243 25856 1606 1 5 . 1 1 15 15 ASP CA C 15 53.317 53.317 52.414 0.903 25856 1607 1 5 . 1 1 15 15 ASP CB C 15 44.770 44.770 43.764 1.006 25856 1608 1 5 . 1 1 15 15 ASP H H 15 7.609 7.609 7.731 -0.122 25856 1609 1 5 . 1 1 16 16 THR N N 16 115.901 115.901 113.910 1.991 25856 1610 1 5 . 1 1 16 16 THR HA H 16 4.298 4.298 4.504 -0.206 25856 1611 1 5 . 1 1 16 16 THR C C 16 172.704 172.704 173.669 -0.965 25856 1612 1 5 . 1 1 16 16 THR CA C 16 60.251 60.251 61.432 -1.181 25856 1613 1 5 . 1 1 16 16 THR CB C 16 69.494 69.494 68.826 0.668 25856 1614 1 5 . 1 1 16 16 THR H H 16 8.841 8.841 8.299 0.542 25856 1615 1 5 . 1 1 17 17 LEU N N 17 125.747 125.747 126.485 -0.738 25856 1616 1 5 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.777 -0.094 25856 1617 1 5 . 1 1 17 17 LEU C C 17 174.509 174.509 174.626 -0.117 25856 1618 1 5 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.342 1.452 25856 1619 1 5 . 1 1 17 17 LEU CB C 17 42.581 42.581 43.007 -0.426 25856 1620 1 5 . 1 1 17 17 LEU H H 17 7.913 7.913 7.914 -0.001 25856 1621 1 5 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.184 0.140 25856 1622 1 5 . 1 1 18 18 PRO C C 18 175.973 175.973 176.606 -0.633 25856 1623 1 5 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.465 -0.317 25856 1624 1 5 . 1 1 18 18 PRO CB C 18 32.228 32.228 31.892 0.336 25856 1625 1 5 . 1 1 19 19 ASN N N 19 115.147 115.147 118.427 -3.280 25856 1626 1 5 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.250 -0.019 25856 1627 1 5 . 1 1 19 19 ASN C C 19 174.180 174.180 174.747 -0.567 25856 1628 1 5 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.329 0.770 25856 1629 1 5 . 1 1 19 19 ASN CB C 19 36.910 36.910 38.129 -1.219 25856 1630 1 5 . 1 1 19 19 ASN H H 19 8.598 8.598 8.726 -0.128 25856 1631 1 5 . 1 1 20 20 ALA N N 20 116.191 116.191 115.395 0.796 25856 1632 1 5 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.468 0.333 25856 1633 1 5 . 1 1 20 20 ALA C C 20 174.990 174.990 175.000 -0.010 25856 1634 1 5 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.858 0.098 25856 1635 1 5 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.405 -0.862 25856 1636 1 5 . 1 1 20 20 ALA H H 20 8.335 8.335 8.075 0.260 25856 1637 1 5 . 1 1 21 21 MET N N 21 113.560 113.560 116.355 -2.795 25856 1638 1 5 . 1 1 21 21 MET HA H 21 5.124 5.124 5.119 0.005 25856 1639 1 5 . 1 1 21 21 MET C C 21 175.205 175.205 174.320 0.885 25856 1640 1 5 . 1 1 21 21 MET CA C 21 54.597 54.597 53.931 0.666 25856 1641 1 5 . 1 1 21 21 MET CB C 21 35.150 35.150 35.976 -0.826 25856 1642 1 5 . 1 1 21 21 MET H H 21 6.302 6.302 6.961 -0.659 25856 1643 1 5 . 1 1 22 22 PHE N N 22 117.199 117.199 118.474 -1.275 25856 1644 1 5 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.942 -0.024 25856 1645 1 5 . 1 1 22 22 PHE C C 22 174.697 174.697 174.027 0.670 25856 1646 1 5 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.069 0.063 25856 1647 1 5 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.730 -0.596 25856 1648 1 5 . 1 1 22 22 PHE H H 22 9.007 9.007 9.063 -0.056 25856 1649 1 5 . 1 1 23 23 LYS N N 23 122.934 122.934 124.473 -1.539 25856 1650 1 5 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.779 0.338 25856 1651 1 5 . 1 1 23 23 LYS C C 23 175.853 175.853 174.893 0.960 25856 1652 1 5 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.915 -0.319 25856 1653 1 5 . 1 1 23 23 LYS CB C 23 34.022 34.022 32.953 1.069 25856 1654 1 5 . 1 1 23 23 LYS H H 23 8.340 8.340 8.898 -0.558 25856 1655 1 5 . 1 1 24 24 VAL N N 24 128.487 128.487 127.162 1.325 25856 1656 1 5 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.491 0.150 25856 1657 1 5 . 1 1 24 24 VAL C C 24 173.199 173.199 174.341 -1.142 25856 1658 1 5 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.943 -0.238 25856 1659 1 5 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.337 1.272 25856 1660 1 5 . 1 1 24 24 VAL H H 24 9.123 9.123 9.038 0.085 25856 1661 1 5 . 1 1 25 25 GLU N N 25 127.440 127.440 126.766 0.674 25856 1662 1 5 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.112 -0.399 25856 1663 1 5 . 1 1 25 25 GLU C C 25 176.358 176.358 176.543 -0.185 25856 1664 1 5 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.651 0.256 25856 1665 1 5 . 1 1 25 25 GLU CB C 25 31.639 31.639 30.933 0.706 25856 1666 1 5 . 1 1 25 25 GLU H H 25 9.017 9.017 9.010 0.007 25856 1667 1 5 . 1 1 26 26 LEU N N 26 128.629 128.629 126.574 2.055 25856 1668 1 5 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.295 0.509 25856 1669 1 5 . 1 1 26 26 LEU C C 26 179.339 179.339 178.720 0.619 25856 1670 1 5 . 1 1 26 26 LEU CA C 26 54.822 54.822 56.218 -1.396 25856 1671 1 5 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.259 1.309 25856 1672 1 5 . 1 1 26 26 LEU H H 26 9.101 9.101 9.129 -0.028 25856 1673 1 5 . 1 1 27 27 GLU N N 27 119.613 119.613 121.546 -1.933 25856 1674 1 5 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.002 0.160 25856 1675 1 5 . 1 1 27 27 GLU C C 27 175.724 175.724 177.761 -2.037 25856 1676 1 5 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.260 -0.871 25856 1677 1 5 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.237 0.445 25856 1678 1 5 . 1 1 27 27 GLU H H 27 8.794 8.794 8.430 0.364 25856 1679 1 5 . 1 1 28 28 ASN N N 28 114.625 114.625 115.455 -0.830 25856 1680 1 5 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.745 -0.134 25856 1681 1 5 . 1 1 28 28 ASN C C 28 176.299 176.299 175.796 0.503 25856 1682 1 5 . 1 1 28 28 ASN CA C 28 52.481 52.481 52.964 -0.483 25856 1683 1 5 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.880 -1.175 25856 1684 1 5 . 1 1 28 28 ASN H H 28 7.183 7.183 7.801 -0.618 25856 1685 1 5 . 1 1 29 29 GLY N N 29 107.903 107.903 107.413 0.490 25856 1686 1 5 . 1 1 29 29 GLY C C 29 174.243 174.243 173.377 0.866 25856 1687 1 5 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.500 -0.193 25856 1688 1 5 . 1 1 29 29 GLY H H 29 6.899 6.899 8.096 -1.197 25856 1689 1 5 . 1 1 30 30 HIS N N 30 118.953 118.953 119.572 -0.619 25856 1690 1 5 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.769 -0.105 25856 1691 1 5 . 1 1 30 30 HIS C C 30 173.476 173.476 173.490 -0.014 25856 1692 1 5 . 1 1 30 30 HIS CA C 30 55.947 55.947 54.613 1.334 25856 1693 1 5 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.542 -1.381 25856 1694 1 5 . 1 1 30 30 HIS H H 30 7.739 7.739 7.906 -0.167 25856 1695 1 5 . 1 1 31 31 GLU N N 31 123.512 123.512 124.798 -1.286 25856 1696 1 5 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.084 0.157 25856 1697 1 5 . 1 1 31 31 GLU C C 31 176.181 176.181 175.160 1.021 25856 1698 1 5 . 1 1 31 31 GLU CA C 31 55.088 55.088 54.634 0.454 25856 1699 1 5 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.597 1.286 25856 1700 1 5 . 1 1 31 31 GLU H H 31 8.495 8.495 8.313 0.182 25856 1701 1 5 . 1 1 32 32 ILE N N 32 117.654 117.654 116.264 1.390 25856 1702 1 5 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.765 -0.051 25856 1703 1 5 . 1 1 32 32 ILE C C 32 174.438 174.438 173.848 0.590 25856 1704 1 5 . 1 1 32 32 ILE CA C 32 59.190 59.190 58.865 0.325 25856 1705 1 5 . 1 1 32 32 ILE CB C 32 43.234 43.234 42.081 1.153 25856 1706 1 5 . 1 1 32 32 ILE H H 32 9.005 9.005 8.868 0.137 25856 1707 1 5 . 1 1 33 33 LEU N N 33 122.166 122.166 122.984 -0.818 25856 1708 1 5 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.313 -0.096 25856 1709 1 5 . 1 1 33 33 LEU C C 33 176.190 176.190 175.924 0.266 25856 1710 1 5 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.282 0.561 25856 1711 1 5 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.069 0.689 25856 1712 1 5 . 1 1 33 33 LEU H H 33 7.713 7.713 8.651 -0.938 25856 1713 1 5 . 1 1 34 34 ALA N N 34 125.096 125.096 125.664 -0.568 25856 1714 1 5 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.297 0.195 25856 1715 1 5 . 1 1 34 34 ALA C C 34 175.700 175.700 175.457 0.243 25856 1716 1 5 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.122 0.135 25856 1717 1 5 . 1 1 34 34 ALA CB C 34 23.151 23.151 22.673 0.478 25856 1718 1 5 . 1 1 34 34 ALA H H 34 9.442 9.442 9.046 0.396 25856 1719 1 5 . 1 1 35 35 HIS N N 35 117.670 117.670 123.161 -5.491 25856 1720 1 5 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.541 -0.033 25856 1721 1 5 . 1 1 35 35 HIS C C 35 174.787 174.787 175.232 -0.445 25856 1722 1 5 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.849 -0.420 25856 1723 1 5 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.594 -0.416 25856 1724 1 5 . 1 1 35 35 HIS H H 35 7.751 7.751 9.076 -1.325 25856 1725 1 5 . 1 1 36 36 VAL N N 36 119.236 119.236 123.240 -4.004 25856 1726 1 5 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.553 -0.151 25856 1727 1 5 . 1 1 36 36 VAL C C 36 175.551 175.551 176.083 -0.532 25856 1728 1 5 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.294 1.040 25856 1729 1 5 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.893 0.496 25856 1730 1 5 . 1 1 36 36 VAL H H 36 9.217 9.217 7.968 1.249 25856 1731 1 5 . 1 1 37 37 SER N N 37 119.884 119.884 119.478 0.406 25856 1732 1 5 . 1 1 37 37 SER HA H 37 4.425 4.425 4.461 -0.036 25856 1733 1 5 . 1 1 37 37 SER C C 37 175.003 175.003 176.158 -1.155 25856 1734 1 5 . 1 1 37 37 SER CA C 37 57.971 57.971 58.610 -0.639 25856 1735 1 5 . 1 1 37 37 SER CB C 37 64.761 64.761 64.724 0.037 25856 1736 1 5 . 1 1 37 37 SER H H 37 8.375 8.375 8.318 0.057 25856 1737 1 5 . 1 1 38 38 GLY N N 38 122.166 122.166 109.334 12.832 25856 1738 1 5 . 1 1 38 38 GLY C C 38 175.253 175.253 176.217 -0.964 25856 1739 1 5 . 1 1 38 38 GLY CA C 38 46.755 46.755 47.146 -0.391 25856 1740 1 5 . 1 1 38 38 GLY H H 38 8.822 8.822 9.014 -0.192 25856 1741 1 5 . 1 1 39 39 LYS N N 39 120.070 120.070 121.979 -1.909 25856 1742 1 5 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.140 -0.083 25856 1743 1 5 . 1 1 39 39 LYS C C 39 177.734 177.734 178.681 -0.947 25856 1744 1 5 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.721 -0.685 25856 1745 1 5 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.311 0.677 25856 1746 1 5 . 1 1 39 39 LYS H H 39 8.135 8.135 7.486 0.649 25856 1747 1 5 . 1 1 40 40 ILE N N 40 117.925 117.925 120.125 -2.200 25856 1748 1 5 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.847 0.183 25856 1749 1 5 . 1 1 40 40 ILE C C 40 176.736 176.736 177.618 -0.882 25856 1750 1 5 . 1 1 40 40 ILE CA C 40 61.757 61.757 64.478 -2.721 25856 1751 1 5 . 1 1 40 40 ILE CB C 40 37.802 37.802 37.940 -0.138 25856 1752 1 5 . 1 1 40 40 ILE H H 40 7.416 7.416 7.244 0.172 25856 1753 1 5 . 1 1 41 41 ARG N N 41 122.141 122.141 119.536 2.605 25856 1754 1 5 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.059 0.047 25856 1755 1 5 . 1 1 41 41 ARG C C 41 177.543 177.543 178.596 -1.053 25856 1756 1 5 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.546 -0.510 25856 1757 1 5 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.021 0.089 25856 1758 1 5 . 1 1 41 41 ARG H H 41 7.912 7.912 7.845 0.067 25856 1759 1 5 . 1 1 42 42 MET N N 42 118.223 118.223 116.702 1.521 25856 1760 1 5 . 1 1 42 42 MET HA H 42 4.281 4.281 4.313 -0.032 25856 1761 1 5 . 1 1 42 42 MET C C 42 175.862 175.862 177.348 -1.486 25856 1762 1 5 . 1 1 42 42 MET CA C 42 56.299 56.299 56.645 -0.346 25856 1763 1 5 . 1 1 42 42 MET CB C 42 32.465 32.465 32.429 0.036 25856 1764 1 5 . 1 1 42 42 MET H H 42 8.090 8.090 7.878 0.212 25856 1765 1 5 . 1 1 43 43 ASN N N 43 117.020 117.020 117.003 0.017 25856 1766 1 5 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.593 0.029 25856 1767 1 5 . 1 1 43 43 ASN C C 43 174.616 174.616 175.626 -1.010 25856 1768 1 5 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.552 0.724 25856 1769 1 5 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.996 -2.165 25856 1770 1 5 . 1 1 43 43 ASN H H 43 7.843 7.843 7.729 0.114 25856 1771 1 5 . 1 1 44 44 TYR N N 44 117.998 117.998 116.736 1.262 25856 1772 1 5 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.574 -0.227 25856 1773 1 5 . 1 1 44 44 TYR C C 44 175.211 175.211 177.188 -1.977 25856 1774 1 5 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.383 0.269 25856 1775 1 5 . 1 1 44 44 TYR CB C 44 37.603 37.603 38.344 -0.741 25856 1776 1 5 . 1 1 44 44 TYR H H 44 7.712 7.712 8.766 -1.054 25856 1777 1 5 . 1 1 45 45 ILE N N 45 120.711 120.711 118.111 2.600 25856 1778 1 5 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.152 -0.209 25856 1779 1 5 . 1 1 45 45 ILE C C 45 173.895 173.895 175.169 -1.274 25856 1780 1 5 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.793 0.461 25856 1781 1 5 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.762 2.812 25856 1782 1 5 . 1 1 45 45 ILE H H 45 7.466 7.466 7.635 -0.169 25856 1783 1 5 . 1 1 46 46 ARG N N 46 124.912 124.912 121.261 3.651 25856 1784 1 5 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.290 0.094 25856 1785 1 5 . 1 1 46 46 ARG C C 46 174.759 174.759 175.883 -1.124 25856 1786 1 5 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.262 0.272 25856 1787 1 5 . 1 1 46 46 ARG CB C 46 30.762 30.762 31.712 -0.950 25856 1788 1 5 . 1 1 46 46 ARG H H 46 8.077 8.077 7.897 0.180 25856 1789 1 5 . 1 1 47 47 ILE N N 47 125.326 125.326 122.056 3.270 25856 1790 1 5 . 1 1 47 47 ILE HA H 47 4.024 4.024 3.904 0.120 25856 1791 1 5 . 1 1 47 47 ILE C C 47 173.922 173.922 175.106 -1.184 25856 1792 1 5 . 1 1 47 47 ILE CA C 47 60.862 60.862 60.968 -0.106 25856 1793 1 5 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.833 -0.107 25856 1794 1 5 . 1 1 47 47 ILE H H 47 7.966 7.966 8.181 -0.215 25856 1795 1 5 . 1 1 48 48 LEU N N 48 128.989 128.989 129.254 -0.265 25856 1796 1 5 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.857 0.007 25856 1797 1 5 . 1 1 48 48 LEU C C 48 174.217 174.217 174.343 -0.126 25856 1798 1 5 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.205 0.510 25856 1799 1 5 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.400 -0.877 25856 1800 1 5 . 1 1 48 48 LEU H H 48 8.765 8.765 9.176 -0.411 25856 1801 1 5 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.186 -0.328 25856 1802 1 5 . 1 1 49 49 PRO C C 49 176.960 176.960 177.642 -0.682 25856 1803 1 5 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.261 -0.320 25856 1804 1 5 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.499 -0.243 25856 1805 1 5 . 1 1 50 50 GLY N N 50 114.638 114.638 114.449 0.189 25856 1806 1 5 . 1 1 50 50 GLY C C 50 174.448 174.448 174.445 0.003 25856 1807 1 5 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.661 0.046 25856 1808 1 5 . 1 1 50 50 GLY H H 50 9.317 9.317 8.959 0.358 25856 1809 1 5 . 1 1 51 51 ASP N N 51 121.882 121.882 123.303 -1.421 25856 1810 1 5 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.509 0.024 25856 1811 1 5 . 1 1 51 51 ASP C C 51 175.327 175.327 174.769 0.558 25856 1812 1 5 . 1 1 51 51 ASP CA C 51 55.393 55.393 55.910 -0.517 25856 1813 1 5 . 1 1 51 51 ASP CB C 51 41.197 41.197 41.880 -0.684 25856 1814 1 5 . 1 1 51 51 ASP H H 51 8.099 8.099 8.184 -0.085 25856 1815 1 5 . 1 1 52 52 LYS N N 52 121.338 121.338 123.138 -1.800 25856 1816 1 5 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.142 -0.055 25856 1817 1 5 . 1 1 52 52 LYS C C 52 176.315 176.315 175.498 0.817 25856 1818 1 5 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.337 -0.685 25856 1819 1 5 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.383 -1.786 25856 1820 1 5 . 1 1 52 52 LYS H H 52 8.410 8.410 8.573 -0.163 25856 1821 1 5 . 1 1 53 53 VAL N N 53 114.761 114.761 121.071 -6.310 25856 1822 1 5 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.777 0.473 25856 1823 1 5 . 1 1 53 53 VAL C C 53 174.278 174.278 174.304 -0.026 25856 1824 1 5 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.127 -1.147 25856 1825 1 5 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.514 0.748 25856 1826 1 5 . 1 1 53 53 VAL H H 53 8.693 8.693 9.202 -0.509 25856 1827 1 5 . 1 1 54 54 THR N N 54 117.231 117.231 119.621 -2.390 25856 1828 1 5 . 1 1 54 54 THR HA H 54 4.837 4.837 4.894 -0.057 25856 1829 1 5 . 1 1 54 54 THR C C 54 173.923 173.923 173.315 0.608 25856 1830 1 5 . 1 1 54 54 THR CA C 54 62.448 62.448 62.775 -0.327 25856 1831 1 5 . 1 1 54 54 THR CB C 54 69.891 69.891 69.521 0.370 25856 1832 1 5 . 1 1 54 54 THR H H 54 8.296 8.296 8.877 -0.581 25856 1833 1 5 . 1 1 55 55 VAL N N 55 124.203 124.203 127.928 -3.725 25856 1834 1 5 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.731 0.101 25856 1835 1 5 . 1 1 55 55 VAL C C 55 174.106 174.106 173.652 0.454 25856 1836 1 5 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.468 0.083 25856 1837 1 5 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.727 -0.151 25856 1838 1 5 . 1 1 55 55 VAL H H 55 9.331 9.331 9.320 0.011 25856 1839 1 5 . 1 1 56 56 GLU N N 56 123.984 123.984 129.950 -5.966 25856 1840 1 5 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.437 -0.217 25856 1841 1 5 . 1 1 56 56 GLU C C 56 176.645 176.645 175.957 0.688 25856 1842 1 5 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.184 -0.782 25856 1843 1 5 . 1 1 56 56 GLU CB C 56 32.700 32.700 31.212 1.488 25856 1844 1 5 . 1 1 56 56 GLU H H 56 9.143 9.143 9.105 0.038 25856 1845 1 5 . 1 1 57 57 MET N N 57 123.465 123.465 121.466 1.999 25856 1846 1 5 . 1 1 57 57 MET HA H 57 4.795 4.795 5.024 -0.229 25856 1847 1 5 . 1 1 57 57 MET C C 57 174.899 174.899 174.533 0.366 25856 1848 1 5 . 1 1 57 57 MET CA C 57 54.339 54.339 54.348 -0.009 25856 1849 1 5 . 1 1 57 57 MET CB C 57 36.252 36.252 36.654 -0.402 25856 1850 1 5 . 1 1 57 57 MET H H 57 9.173 9.173 9.258 -0.085 25856 1851 1 5 . 1 1 58 58 SER N N 58 117.390 117.390 117.725 -0.335 25856 1852 1 5 . 1 1 58 58 SER HA H 58 5.039 5.039 4.956 0.083 25856 1853 1 5 . 1 1 58 58 SER C C 58 174.693 174.693 174.559 0.134 25856 1854 1 5 . 1 1 58 58 SER CA C 58 54.932 54.932 56.245 -1.313 25856 1855 1 5 . 1 1 58 58 SER CB C 58 64.587 64.587 63.213 1.374 25856 1856 1 5 . 1 1 58 58 SER H H 58 9.184 9.184 9.010 0.174 25856 1857 1 5 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.382 -0.276 25856 1858 1 5 . 1 1 59 59 PRO C C 59 176.290 176.290 176.599 -0.309 25856 1859 1 5 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.860 -1.007 25856 1860 1 5 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.729 0.037 25856 1861 1 5 . 1 1 60 60 TYR N N 60 113.938 113.938 116.114 -2.176 25856 1862 1 5 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.609 -0.120 25856 1863 1 5 . 1 1 60 60 TYR C C 60 175.439 175.439 174.664 0.775 25856 1864 1 5 . 1 1 60 60 TYR CA C 60 57.342 57.342 57.845 -0.503 25856 1865 1 5 . 1 1 60 60 TYR CB C 60 38.293 38.293 38.709 -0.416 25856 1866 1 5 . 1 1 60 60 TYR H H 60 7.307 7.307 7.932 -0.625 25856 1867 1 5 . 1 1 61 61 ASP N N 61 118.283 118.283 118.655 -0.372 25856 1868 1 5 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.514 0.253 25856 1869 1 5 . 1 1 61 61 ASP C C 61 174.996 174.996 176.607 -1.611 25856 1870 1 5 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.370 -0.528 25856 1871 1 5 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.444 -2.022 25856 1872 1 5 . 1 1 61 61 ASP H H 61 7.418 7.418 7.836 -0.418 25856 1873 1 5 . 1 1 62 62 LEU N N 62 124.044 124.044 117.423 6.621 25856 1874 1 5 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.996 0.491 25856 1875 1 5 . 1 1 62 62 LEU C C 62 177.109 177.109 175.891 1.218 25856 1876 1 5 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.909 -0.679 25856 1877 1 5 . 1 1 62 62 LEU CB C 62 40.930 40.930 40.193 0.737 25856 1878 1 5 . 1 1 62 62 LEU H H 62 8.743 8.743 8.412 0.331 25856 1879 1 5 . 1 1 63 63 THR N N 63 107.624 107.624 112.314 -4.690 25856 1880 1 5 . 1 1 63 63 THR HA H 63 4.608 4.608 4.600 0.008 25856 1881 1 5 . 1 1 63 63 THR C C 63 174.873 174.873 173.559 1.314 25856 1882 1 5 . 1 1 63 63 THR CA C 63 62.686 62.686 62.571 0.115 25856 1883 1 5 . 1 1 63 63 THR CB C 63 70.393 70.393 70.229 0.164 25856 1884 1 5 . 1 1 63 63 THR H H 63 8.415 8.415 8.828 -0.413 25856 1885 1 5 . 1 1 64 64 ARG N N 64 120.138 120.138 121.658 -1.520 25856 1886 1 5 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.650 -0.031 25856 1887 1 5 . 1 1 64 64 ARG C C 64 174.858 174.858 175.159 -0.301 25856 1888 1 5 . 1 1 64 64 ARG CA C 64 54.218 54.218 54.112 0.106 25856 1889 1 5 . 1 1 64 64 ARG CB C 64 34.526 34.526 34.037 0.489 25856 1890 1 5 . 1 1 64 64 ARG H H 64 7.200 7.200 8.780 -1.580 25856 1891 1 5 . 1 1 65 65 GLY N N 65 106.034 106.034 107.690 -1.656 25856 1892 1 5 . 1 1 65 65 GLY C C 65 171.075 171.075 172.151 -1.076 25856 1893 1 5 . 1 1 65 65 GLY CA C 65 45.353 45.353 44.893 0.460 25856 1894 1 5 . 1 1 65 65 GLY H H 65 8.618 8.618 8.791 -0.173 25856 1895 1 5 . 1 1 66 66 ARG N N 66 118.635 118.635 120.636 -2.001 25856 1896 1 5 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.491 -0.505 25856 1897 1 5 . 1 1 66 66 ARG C C 66 175.345 175.345 174.687 0.658 25856 1898 1 5 . 1 1 66 66 ARG CA C 66 53.691 53.691 53.900 -0.209 25856 1899 1 5 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.162 -0.751 25856 1900 1 5 . 1 1 66 66 ARG H H 66 8.621 8.621 8.851 -0.230 25856 1901 1 5 . 1 1 67 67 ILE N N 67 125.220 125.220 129.245 -4.025 25856 1902 1 5 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.941 -0.539 25856 1903 1 5 . 1 1 67 67 ILE C C 67 176.084 176.084 176.074 0.010 25856 1904 1 5 . 1 1 67 67 ILE CA C 67 62.299 62.299 61.513 0.786 25856 1905 1 5 . 1 1 67 67 ILE CB C 67 39.359 39.359 39.732 -0.373 25856 1906 1 5 . 1 1 67 67 ILE H H 67 9.083 9.083 9.271 -0.188 25856 1907 1 5 . 1 1 68 68 THR N N 68 117.584 117.584 120.030 -2.446 25856 1908 1 5 . 1 1 68 68 THR HA H 68 4.435 4.435 4.605 -0.170 25856 1909 1 5 . 1 1 68 68 THR C C 68 174.406 174.406 174.378 0.028 25856 1910 1 5 . 1 1 68 68 THR CA C 68 61.164 61.164 61.897 -0.733 25856 1911 1 5 . 1 1 68 68 THR CB C 68 69.514 69.514 70.653 -1.139 25856 1912 1 5 . 1 1 68 68 THR H H 68 8.691 8.691 8.399 0.292 25856 1913 1 5 . 1 1 69 69 TYR N N 69 120.904 120.904 122.412 -1.508 25856 1914 1 5 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.688 -0.335 25856 1915 1 5 . 1 1 69 69 TYR C C 69 172.657 172.657 173.037 -0.380 25856 1916 1 5 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.434 1.300 25856 1917 1 5 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.886 -0.455 25856 1918 1 5 . 1 1 69 69 TYR H H 69 7.479 7.479 7.508 -0.029 25856 1919 1 5 . 1 1 70 70 ARG N N 70 125.781 125.781 126.350 -0.569 25856 1920 1 5 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.440 0.251 25856 1921 1 5 . 1 1 70 70 ARG C C 70 174.016 174.016 173.509 0.507 25856 1922 1 5 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.760 -0.099 25856 1923 1 5 . 1 1 70 70 ARG CB C 70 31.816 31.816 32.071 -0.255 25856 1924 1 5 . 1 1 70 70 ARG H H 70 7.439 7.439 7.907 -0.468 25856 1925 1 5 . 1 1 71 71 TYR N N 71 124.942 124.942 125.164 -0.222 25856 1926 1 5 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.316 -0.065 25856 1927 1 5 . 1 1 71 71 TYR C C 71 175.278 175.278 174.383 0.895 25856 1928 1 5 . 1 1 71 71 TYR CA C 71 58.445 58.445 58.062 0.383 25856 1929 1 5 . 1 1 71 71 TYR CB C 71 38.803 38.803 41.642 -2.839 25856 1930 1 5 . 1 1 71 71 TYR H H 71 8.478 8.478 9.093 -0.615 25856 1931 1 6 . 1 1 5 5 ASP N N 5 121.636 121.636 120.366 1.270 25856 1932 1 6 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.442 0.139 25856 1933 1 6 . 1 1 5 5 ASP C C 5 175.317 175.317 175.762 -0.445 25856 1934 1 6 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.484 -0.798 25856 1935 1 6 . 1 1 5 5 ASP CB C 5 41.260 41.260 40.621 0.639 25856 1936 1 6 . 1 1 5 5 ASP H H 5 8.370 8.370 8.299 0.071 25856 1937 1 6 . 1 1 6 6 VAL N N 6 116.054 116.054 119.274 -3.220 25856 1938 1 6 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.346 0.209 25856 1939 1 6 . 1 1 6 6 VAL C C 6 174.969 174.969 174.983 -0.014 25856 1940 1 6 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.553 0.396 25856 1941 1 6 . 1 1 6 6 VAL CB C 6 35.032 35.032 33.961 1.071 25856 1942 1 6 . 1 1 6 6 VAL H H 6 7.702 7.702 7.888 -0.186 25856 1943 1 6 . 1 1 7 7 ILE N N 7 123.240 123.240 126.292 -3.052 25856 1944 1 6 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.663 -0.281 25856 1945 1 6 . 1 1 7 7 ILE C C 7 174.177 174.177 175.262 -1.085 25856 1946 1 6 . 1 1 7 7 ILE CA C 7 60.100 60.100 59.862 0.238 25856 1947 1 6 . 1 1 7 7 ILE CB C 7 40.712 40.712 39.481 1.231 25856 1948 1 6 . 1 1 7 7 ILE H H 7 8.748 8.748 8.182 0.566 25856 1949 1 6 . 1 1 8 8 GLU N N 8 124.266 124.266 126.349 -2.083 25856 1950 1 6 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.387 -0.037 25856 1951 1 6 . 1 1 8 8 GLU C C 8 175.592 175.592 175.941 -0.349 25856 1952 1 6 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.459 -0.735 25856 1953 1 6 . 1 1 8 8 GLU CB C 8 33.510 33.510 31.303 2.207 25856 1954 1 6 . 1 1 8 8 GLU H H 8 8.236 8.236 8.707 -0.471 25856 1955 1 6 . 1 1 9 9 LEU N N 9 125.462 125.462 124.570 0.892 25856 1956 1 6 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.960 -0.183 25856 1957 1 6 . 1 1 9 9 LEU C C 9 174.654 174.654 175.763 -1.109 25856 1958 1 6 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.214 0.658 25856 1959 1 6 . 1 1 9 9 LEU CB C 9 47.173 47.173 45.433 1.740 25856 1960 1 6 . 1 1 9 9 LEU H H 9 8.947 8.947 9.068 -0.121 25856 1961 1 6 . 1 1 10 10 GLU N N 10 119.884 119.884 118.622 1.262 25856 1962 1 6 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.525 -0.349 25856 1963 1 6 . 1 1 10 10 GLU C C 10 176.424 176.424 176.181 0.243 25856 1964 1 6 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.465 0.807 25856 1965 1 6 . 1 1 10 10 GLU CB C 10 31.815 31.815 33.312 -1.497 25856 1966 1 6 . 1 1 10 10 GLU H H 10 8.697 8.697 8.382 0.315 25856 1967 1 6 . 1 1 11 11 GLY N N 11 107.302 107.302 106.591 0.711 25856 1968 1 6 . 1 1 11 11 GLY C C 11 171.493 171.493 172.189 -0.696 25856 1969 1 6 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.567 0.115 25856 1970 1 6 . 1 1 11 11 GLY H H 11 8.896 8.896 8.869 0.027 25856 1971 1 6 . 1 1 12 12 THR N N 12 115.723 115.723 117.907 -2.184 25856 1972 1 6 . 1 1 12 12 THR HA H 12 5.057 5.057 4.987 0.070 25856 1973 1 6 . 1 1 12 12 THR C C 12 174.347 174.347 173.924 0.423 25856 1974 1 6 . 1 1 12 12 THR CA C 12 61.226 61.226 62.050 -0.824 25856 1975 1 6 . 1 1 12 12 THR CB C 12 71.245 71.245 70.362 0.883 25856 1976 1 6 . 1 1 12 12 THR H H 12 8.551 8.551 8.884 -0.333 25856 1977 1 6 . 1 1 13 13 VAL N N 13 127.141 127.141 126.811 0.330 25856 1978 1 6 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.177 -0.377 25856 1979 1 6 . 1 1 13 13 VAL C C 13 175.760 175.760 174.248 1.512 25856 1980 1 6 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.207 3.311 25856 1981 1 6 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.591 -1.036 25856 1982 1 6 . 1 1 13 13 VAL H H 13 9.135 9.135 8.910 0.225 25856 1983 1 6 . 1 1 14 14 LEU N N 14 129.942 129.942 129.429 0.513 25856 1984 1 6 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.588 -0.037 25856 1985 1 6 . 1 1 14 14 LEU C C 14 176.277 176.277 177.027 -0.750 25856 1986 1 6 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.534 0.141 25856 1987 1 6 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.807 1.196 25856 1988 1 6 . 1 1 14 14 LEU H H 14 9.536 9.536 8.291 1.245 25856 1989 1 6 . 1 1 15 15 ASP N N 15 113.621 113.621 118.615 -4.994 25856 1990 1 6 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.941 0.037 25856 1991 1 6 . 1 1 15 15 ASP C C 15 174.864 174.864 174.266 0.598 25856 1992 1 6 . 1 1 15 15 ASP CA C 15 53.317 53.317 52.679 0.638 25856 1993 1 6 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.345 0.425 25856 1994 1 6 . 1 1 15 15 ASP H H 15 7.609 7.609 8.058 -0.449 25856 1995 1 6 . 1 1 16 16 THR N N 16 115.901 115.901 112.754 3.147 25856 1996 1 6 . 1 1 16 16 THR HA H 16 4.298 4.298 4.573 -0.275 25856 1997 1 6 . 1 1 16 16 THR C C 16 172.704 172.704 173.923 -1.219 25856 1998 1 6 . 1 1 16 16 THR CA C 16 60.251 60.251 60.665 -0.414 25856 1999 1 6 . 1 1 16 16 THR CB C 16 69.494 69.494 70.058 -0.564 25856 2000 1 6 . 1 1 16 16 THR H H 16 8.841 8.841 8.213 0.628 25856 2001 1 6 . 1 1 17 17 LEU N N 17 125.747 125.747 125.287 0.460 25856 2002 1 6 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.791 -0.108 25856 2003 1 6 . 1 1 17 17 LEU C C 17 174.509 174.509 174.986 -0.477 25856 2004 1 6 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.206 1.588 25856 2005 1 6 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.624 -0.043 25856 2006 1 6 . 1 1 17 17 LEU H H 17 7.913 7.913 7.961 -0.048 25856 2007 1 6 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.246 0.078 25856 2008 1 6 . 1 1 18 18 PRO C C 18 175.973 175.973 176.725 -0.752 25856 2009 1 6 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.022 0.127 25856 2010 1 6 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.120 0.108 25856 2011 1 6 . 1 1 19 19 ASN N N 19 115.147 115.147 118.992 -3.845 25856 2012 1 6 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.266 -0.035 25856 2013 1 6 . 1 1 19 19 ASN C C 19 174.180 174.180 174.748 -0.568 25856 2014 1 6 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.468 0.631 25856 2015 1 6 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.840 -0.930 25856 2016 1 6 . 1 1 19 19 ASN H H 19 8.598 8.598 8.773 -0.175 25856 2017 1 6 . 1 1 20 20 ALA N N 20 116.191 116.191 114.612 1.579 25856 2018 1 6 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.659 0.142 25856 2019 1 6 . 1 1 20 20 ALA C C 20 174.990 174.990 175.435 -0.445 25856 2020 1 6 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.117 -0.161 25856 2021 1 6 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.727 -1.184 25856 2022 1 6 . 1 1 20 20 ALA H H 20 8.335 8.335 8.056 0.279 25856 2023 1 6 . 1 1 21 21 MET N N 21 113.560 113.560 117.365 -3.805 25856 2024 1 6 . 1 1 21 21 MET HA H 21 5.124 5.124 4.757 0.367 25856 2025 1 6 . 1 1 21 21 MET C C 21 175.205 175.205 174.959 0.246 25856 2026 1 6 . 1 1 21 21 MET CA C 21 54.597 54.597 54.466 0.131 25856 2027 1 6 . 1 1 21 21 MET CB C 21 35.150 35.150 33.885 1.265 25856 2028 1 6 . 1 1 21 21 MET H H 21 6.302 6.302 6.977 -0.675 25856 2029 1 6 . 1 1 22 22 PHE N N 22 117.199 117.199 120.256 -3.057 25856 2030 1 6 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.780 0.138 25856 2031 1 6 . 1 1 22 22 PHE C C 22 174.697 174.697 173.751 0.946 25856 2032 1 6 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.141 -0.009 25856 2033 1 6 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.647 -0.513 25856 2034 1 6 . 1 1 22 22 PHE H H 22 9.007 9.007 9.163 -0.156 25856 2035 1 6 . 1 1 23 23 LYS N N 23 122.934 122.934 123.980 -1.046 25856 2036 1 6 . 1 1 23 23 LYS HA H 23 5.117 5.117 5.155 -0.038 25856 2037 1 6 . 1 1 23 23 LYS C C 23 175.853 175.853 175.059 0.794 25856 2038 1 6 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.365 0.231 25856 2039 1 6 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.954 0.068 25856 2040 1 6 . 1 1 23 23 LYS H H 23 8.340 8.340 8.950 -0.610 25856 2041 1 6 . 1 1 24 24 VAL N N 24 128.487 128.487 125.675 2.812 25856 2042 1 6 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.503 0.138 25856 2043 1 6 . 1 1 24 24 VAL C C 24 173.199 173.199 174.130 -0.931 25856 2044 1 6 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.828 -0.123 25856 2045 1 6 . 1 1 24 24 VAL CB C 24 35.609 35.609 35.069 0.540 25856 2046 1 6 . 1 1 24 24 VAL H H 24 9.123 9.123 8.991 0.132 25856 2047 1 6 . 1 1 25 25 GLU N N 25 127.440 127.440 124.767 2.673 25856 2048 1 6 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.086 -0.373 25856 2049 1 6 . 1 1 25 25 GLU C C 25 176.358 176.358 175.137 1.221 25856 2050 1 6 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.145 0.762 25856 2051 1 6 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.195 -0.556 25856 2052 1 6 . 1 1 25 25 GLU H H 25 9.017 9.017 8.994 0.023 25856 2053 1 6 . 1 1 26 26 LEU N N 26 128.629 128.629 125.712 2.917 25856 2054 1 6 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.769 0.035 25856 2055 1 6 . 1 1 26 26 LEU C C 26 179.339 179.339 178.771 0.568 25856 2056 1 6 . 1 1 26 26 LEU CA C 26 54.822 54.822 54.086 0.736 25856 2057 1 6 . 1 1 26 26 LEU CB C 26 43.568 43.568 43.071 0.497 25856 2058 1 6 . 1 1 26 26 LEU H H 26 9.101 9.101 9.254 -0.153 25856 2059 1 6 . 1 1 27 27 GLU N N 27 119.613 119.613 121.550 -1.937 25856 2060 1 6 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.031 0.131 25856 2061 1 6 . 1 1 27 27 GLU C C 27 175.724 175.724 176.959 -1.235 25856 2062 1 6 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.597 -0.208 25856 2063 1 6 . 1 1 27 27 GLU CB C 27 29.682 29.682 28.889 0.793 25856 2064 1 6 . 1 1 27 27 GLU H H 27 8.794 8.794 8.790 0.004 25856 2065 1 6 . 1 1 28 28 ASN N N 28 114.625 114.625 117.739 -3.114 25856 2066 1 6 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.659 -0.048 25856 2067 1 6 . 1 1 28 28 ASN C C 28 176.299 176.299 176.206 0.093 25856 2068 1 6 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.157 -0.676 25856 2069 1 6 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.852 -1.146 25856 2070 1 6 . 1 1 28 28 ASN H H 28 7.183 7.183 7.828 -0.645 25856 2071 1 6 . 1 1 29 29 GLY N N 29 107.903 107.903 107.688 0.215 25856 2072 1 6 . 1 1 29 29 GLY C C 29 174.243 174.243 173.646 0.597 25856 2073 1 6 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.370 -0.063 25856 2074 1 6 . 1 1 29 29 GLY H H 29 6.899 6.899 8.211 -1.312 25856 2075 1 6 . 1 1 30 30 HIS N N 30 118.953 118.953 121.009 -2.056 25856 2076 1 6 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.807 -0.143 25856 2077 1 6 . 1 1 30 30 HIS C C 30 173.476 173.476 173.593 -0.117 25856 2078 1 6 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.432 0.515 25856 2079 1 6 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.778 -1.617 25856 2080 1 6 . 1 1 30 30 HIS H H 30 7.739 7.739 7.978 -0.239 25856 2081 1 6 . 1 1 31 31 GLU N N 31 123.512 123.512 124.569 -1.057 25856 2082 1 6 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.106 0.135 25856 2083 1 6 . 1 1 31 31 GLU C C 31 176.181 176.181 175.501 0.680 25856 2084 1 6 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.039 0.049 25856 2085 1 6 . 1 1 31 31 GLU CB C 31 31.883 31.883 31.235 0.648 25856 2086 1 6 . 1 1 31 31 GLU H H 31 8.495 8.495 8.467 0.028 25856 2087 1 6 . 1 1 32 32 ILE N N 32 117.654 117.654 115.135 2.519 25856 2088 1 6 . 1 1 32 32 ILE HA H 32 4.714 4.714 5.086 -0.372 25856 2089 1 6 . 1 1 32 32 ILE C C 32 174.438 174.438 174.222 0.216 25856 2090 1 6 . 1 1 32 32 ILE CA C 32 59.190 59.190 58.857 0.333 25856 2091 1 6 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.960 1.274 25856 2092 1 6 . 1 1 32 32 ILE H H 32 9.005 9.005 9.069 -0.064 25856 2093 1 6 . 1 1 33 33 LEU N N 33 122.166 122.166 122.985 -0.819 25856 2094 1 6 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.079 0.138 25856 2095 1 6 . 1 1 33 33 LEU C C 33 176.190 176.190 175.964 0.226 25856 2096 1 6 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.694 0.149 25856 2097 1 6 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.924 0.834 25856 2098 1 6 . 1 1 33 33 LEU H H 33 7.713 7.713 8.178 -0.465 25856 2099 1 6 . 1 1 34 34 ALA N N 34 125.096 125.096 126.007 -0.911 25856 2100 1 6 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.506 -0.014 25856 2101 1 6 . 1 1 34 34 ALA C C 34 175.700 175.700 175.759 -0.059 25856 2102 1 6 . 1 1 34 34 ALA CA C 34 50.257 50.257 49.928 0.329 25856 2103 1 6 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.109 0.042 25856 2104 1 6 . 1 1 34 34 ALA H H 34 9.442 9.442 9.245 0.197 25856 2105 1 6 . 1 1 35 35 HIS N N 35 117.670 117.670 118.363 -0.693 25856 2106 1 6 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.413 0.095 25856 2107 1 6 . 1 1 35 35 HIS C C 35 174.787 174.787 175.728 -0.941 25856 2108 1 6 . 1 1 35 35 HIS CA C 35 54.429 54.429 55.031 -0.602 25856 2109 1 6 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.205 -0.027 25856 2110 1 6 . 1 1 35 35 HIS H H 35 7.751 7.751 8.563 -0.812 25856 2111 1 6 . 1 1 36 36 VAL N N 36 119.236 119.236 119.818 -0.582 25856 2112 1 6 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.316 0.086 25856 2113 1 6 . 1 1 36 36 VAL C C 36 175.551 175.551 175.682 -0.131 25856 2114 1 6 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.169 1.164 25856 2115 1 6 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.434 0.955 25856 2116 1 6 . 1 1 36 36 VAL H H 36 9.217 9.217 7.882 1.335 25856 2117 1 6 . 1 1 37 37 SER N N 37 119.884 119.884 118.572 1.312 25856 2118 1 6 . 1 1 37 37 SER HA H 37 4.425 4.425 4.466 -0.041 25856 2119 1 6 . 1 1 37 37 SER C C 37 175.003 175.003 176.116 -1.113 25856 2120 1 6 . 1 1 37 37 SER CA C 37 57.971 57.971 58.465 -0.494 25856 2121 1 6 . 1 1 37 37 SER CB C 37 64.761 64.761 64.536 0.225 25856 2122 1 6 . 1 1 37 37 SER H H 37 8.375 8.375 8.137 0.238 25856 2123 1 6 . 1 1 38 38 GLY N N 38 122.166 122.166 108.996 13.170 25856 2124 1 6 . 1 1 38 38 GLY C C 38 175.253 175.253 176.164 -0.911 25856 2125 1 6 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.731 0.024 25856 2126 1 6 . 1 1 38 38 GLY H H 38 8.822 8.822 8.947 -0.125 25856 2127 1 6 . 1 1 39 39 LYS N N 39 120.070 120.070 121.798 -1.728 25856 2128 1 6 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.080 -0.023 25856 2129 1 6 . 1 1 39 39 LYS C C 39 177.734 177.734 178.464 -0.730 25856 2130 1 6 . 1 1 39 39 LYS CA C 39 58.036 58.036 59.393 -1.357 25856 2131 1 6 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.509 0.479 25856 2132 1 6 . 1 1 39 39 LYS H H 39 8.135 8.135 7.422 0.713 25856 2133 1 6 . 1 1 40 40 ILE N N 40 117.925 117.925 118.781 -0.856 25856 2134 1 6 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.934 0.096 25856 2135 1 6 . 1 1 40 40 ILE C C 40 176.736 176.736 177.592 -0.856 25856 2136 1 6 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.377 -1.620 25856 2137 1 6 . 1 1 40 40 ILE CB C 40 37.802 37.802 37.948 -0.146 25856 2138 1 6 . 1 1 40 40 ILE H H 40 7.416 7.416 7.711 -0.295 25856 2139 1 6 . 1 1 41 41 ARG N N 41 122.141 122.141 120.530 1.611 25856 2140 1 6 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.135 -0.029 25856 2141 1 6 . 1 1 41 41 ARG C C 41 177.543 177.543 177.859 -0.316 25856 2142 1 6 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.865 -0.829 25856 2143 1 6 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.250 -0.140 25856 2144 1 6 . 1 1 41 41 ARG H H 41 7.912 7.912 8.104 -0.192 25856 2145 1 6 . 1 1 42 42 MET N N 42 118.223 118.223 115.838 2.385 25856 2146 1 6 . 1 1 42 42 MET HA H 42 4.281 4.281 4.246 0.035 25856 2147 1 6 . 1 1 42 42 MET C C 42 175.862 175.862 177.292 -1.430 25856 2148 1 6 . 1 1 42 42 MET CA C 42 56.299 56.299 58.132 -1.833 25856 2149 1 6 . 1 1 42 42 MET CB C 42 32.465 32.465 33.148 -0.683 25856 2150 1 6 . 1 1 42 42 MET H H 42 8.090 8.090 7.722 0.368 25856 2151 1 6 . 1 1 43 43 ASN N N 43 117.020 117.020 117.718 -0.698 25856 2152 1 6 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.691 -0.069 25856 2153 1 6 . 1 1 43 43 ASN C C 43 174.616 174.616 175.279 -0.663 25856 2154 1 6 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.836 0.441 25856 2155 1 6 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.031 -1.200 25856 2156 1 6 . 1 1 43 43 ASN H H 43 7.843 7.843 7.518 0.325 25856 2157 1 6 . 1 1 44 44 TYR N N 44 117.998 117.998 117.770 0.228 25856 2158 1 6 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.534 -0.187 25856 2159 1 6 . 1 1 44 44 TYR C C 44 175.211 175.211 176.958 -1.747 25856 2160 1 6 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.299 0.353 25856 2161 1 6 . 1 1 44 44 TYR CB C 44 37.603 37.603 38.011 -0.409 25856 2162 1 6 . 1 1 44 44 TYR H H 44 7.712 7.712 8.833 -1.121 25856 2163 1 6 . 1 1 45 45 ILE N N 45 120.711 120.711 117.872 2.839 25856 2164 1 6 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.223 -0.280 25856 2165 1 6 . 1 1 45 45 ILE C C 45 173.895 173.895 175.234 -1.339 25856 2166 1 6 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.386 0.868 25856 2167 1 6 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.657 2.917 25856 2168 1 6 . 1 1 45 45 ILE H H 45 7.466 7.466 8.080 -0.614 25856 2169 1 6 . 1 1 46 46 ARG N N 46 124.912 124.912 121.566 3.346 25856 2170 1 6 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.201 0.183 25856 2171 1 6 . 1 1 46 46 ARG C C 46 174.759 174.759 176.273 -1.514 25856 2172 1 6 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.941 -0.406 25856 2173 1 6 . 1 1 46 46 ARG CB C 46 30.762 30.762 31.016 -0.254 25856 2174 1 6 . 1 1 46 46 ARG H H 46 8.077 8.077 7.857 0.220 25856 2175 1 6 . 1 1 47 47 ILE N N 47 125.326 125.326 122.785 2.541 25856 2176 1 6 . 1 1 47 47 ILE HA H 47 4.024 4.024 3.910 0.114 25856 2177 1 6 . 1 1 47 47 ILE C C 47 173.922 173.922 175.512 -1.590 25856 2178 1 6 . 1 1 47 47 ILE CA C 47 60.862 60.862 60.343 0.519 25856 2179 1 6 . 1 1 47 47 ILE CB C 47 37.726 37.726 36.953 0.773 25856 2180 1 6 . 1 1 47 47 ILE H H 47 7.966 7.966 8.274 -0.308 25856 2181 1 6 . 1 1 48 48 LEU N N 48 128.989 128.989 130.073 -1.084 25856 2182 1 6 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.928 -0.064 25856 2183 1 6 . 1 1 48 48 LEU C C 48 174.217 174.217 174.439 -0.222 25856 2184 1 6 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.117 0.598 25856 2185 1 6 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.488 -0.965 25856 2186 1 6 . 1 1 48 48 LEU H H 48 8.765 8.765 7.852 0.913 25856 2187 1 6 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.479 -0.621 25856 2188 1 6 . 1 1 49 49 PRO C C 49 176.960 176.960 177.276 -0.316 25856 2189 1 6 . 1 1 49 49 PRO CA C 49 63.941 63.941 63.880 0.061 25856 2190 1 6 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.804 -0.548 25856 2191 1 6 . 1 1 50 50 GLY N N 50 114.638 114.638 113.102 1.536 25856 2192 1 6 . 1 1 50 50 GLY C C 50 174.448 174.448 174.303 0.145 25856 2193 1 6 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.671 0.036 25856 2194 1 6 . 1 1 50 50 GLY H H 50 9.317 9.317 9.074 0.243 25856 2195 1 6 . 1 1 51 51 ASP N N 51 121.882 121.882 122.694 -0.812 25856 2196 1 6 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.656 -0.123 25856 2197 1 6 . 1 1 51 51 ASP C C 51 175.327 175.327 174.410 0.917 25856 2198 1 6 . 1 1 51 51 ASP CA C 51 55.393 55.393 55.400 -0.007 25856 2199 1 6 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.635 -1.438 25856 2200 1 6 . 1 1 51 51 ASP H H 51 8.099 8.099 7.598 0.501 25856 2201 1 6 . 1 1 52 52 LYS N N 52 121.338 121.338 123.151 -1.813 25856 2202 1 6 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.250 -0.163 25856 2203 1 6 . 1 1 52 52 LYS C C 52 176.315 176.315 175.297 1.018 25856 2204 1 6 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.247 -0.595 25856 2205 1 6 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.735 -2.138 25856 2206 1 6 . 1 1 52 52 LYS H H 52 8.410 8.410 8.452 -0.042 25856 2207 1 6 . 1 1 53 53 VAL N N 53 114.761 114.761 121.346 -6.585 25856 2208 1 6 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.780 0.470 25856 2209 1 6 . 1 1 53 53 VAL C C 53 174.278 174.278 174.517 -0.239 25856 2210 1 6 . 1 1 53 53 VAL CA C 53 57.980 57.980 58.849 -0.869 25856 2211 1 6 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.212 1.050 25856 2212 1 6 . 1 1 53 53 VAL H H 53 8.693 8.693 9.290 -0.597 25856 2213 1 6 . 1 1 54 54 THR N N 54 117.231 117.231 118.418 -1.187 25856 2214 1 6 . 1 1 54 54 THR HA H 54 4.837 4.837 4.857 -0.020 25856 2215 1 6 . 1 1 54 54 THR C C 54 173.923 173.923 173.091 0.832 25856 2216 1 6 . 1 1 54 54 THR CA C 54 62.448 62.448 62.639 -0.191 25856 2217 1 6 . 1 1 54 54 THR CB C 54 69.891 69.891 69.770 0.121 25856 2218 1 6 . 1 1 54 54 THR H H 54 8.296 8.296 8.764 -0.468 25856 2219 1 6 . 1 1 55 55 VAL N N 55 124.203 124.203 126.902 -2.699 25856 2220 1 6 . 1 1 55 55 VAL HA H 55 4.832 4.832 5.031 -0.199 25856 2221 1 6 . 1 1 55 55 VAL C C 55 174.106 174.106 173.475 0.631 25856 2222 1 6 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.393 0.158 25856 2223 1 6 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.318 -0.742 25856 2224 1 6 . 1 1 55 55 VAL H H 55 9.331 9.331 9.418 -0.087 25856 2225 1 6 . 1 1 56 56 GLU N N 56 123.984 123.984 130.346 -6.362 25856 2226 1 6 . 1 1 56 56 GLU HA H 56 5.220 5.220 4.912 0.308 25856 2227 1 6 . 1 1 56 56 GLU C C 56 176.645 176.645 175.131 1.514 25856 2228 1 6 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.241 -0.839 25856 2229 1 6 . 1 1 56 56 GLU CB C 56 32.700 32.700 31.580 1.120 25856 2230 1 6 . 1 1 56 56 GLU H H 56 9.143 9.143 9.238 -0.095 25856 2231 1 6 . 1 1 57 57 MET N N 57 123.465 123.465 122.491 0.974 25856 2232 1 6 . 1 1 57 57 MET HA H 57 4.795 4.795 4.995 -0.200 25856 2233 1 6 . 1 1 57 57 MET C C 57 174.899 174.899 174.541 0.358 25856 2234 1 6 . 1 1 57 57 MET CA C 57 54.339 54.339 54.111 0.228 25856 2235 1 6 . 1 1 57 57 MET CB C 57 36.252 36.252 36.777 -0.525 25856 2236 1 6 . 1 1 57 57 MET H H 57 9.173 9.173 9.107 0.066 25856 2237 1 6 . 1 1 58 58 SER N N 58 117.390 117.390 115.604 1.786 25856 2238 1 6 . 1 1 58 58 SER HA H 58 5.039 5.039 4.776 0.263 25856 2239 1 6 . 1 1 58 58 SER C C 58 174.693 174.693 174.994 -0.301 25856 2240 1 6 . 1 1 58 58 SER CA C 58 54.932 54.932 56.450 -1.518 25856 2241 1 6 . 1 1 58 58 SER CB C 58 64.587 64.587 62.783 1.804 25856 2242 1 6 . 1 1 58 58 SER H H 58 9.184 9.184 8.879 0.305 25856 2243 1 6 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.406 -0.300 25856 2244 1 6 . 1 1 59 59 PRO C C 59 176.290 176.290 176.952 -0.662 25856 2245 1 6 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.431 -0.578 25856 2246 1 6 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.775 -0.009 25856 2247 1 6 . 1 1 60 60 TYR N N 60 113.938 113.938 117.116 -3.178 25856 2248 1 6 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.547 -0.058 25856 2249 1 6 . 1 1 60 60 TYR C C 60 175.439 175.439 175.853 -0.414 25856 2250 1 6 . 1 1 60 60 TYR CA C 60 57.342 57.342 58.908 -1.566 25856 2251 1 6 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.401 -1.108 25856 2252 1 6 . 1 1 60 60 TYR H H 60 7.307 7.307 8.282 -0.975 25856 2253 1 6 . 1 1 61 61 ASP N N 61 118.283 118.283 119.995 -1.712 25856 2254 1 6 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.532 0.235 25856 2255 1 6 . 1 1 61 61 ASP C C 61 174.996 174.996 176.246 -1.250 25856 2256 1 6 . 1 1 61 61 ASP CA C 61 53.842 53.842 55.107 -1.265 25856 2257 1 6 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.158 -0.736 25856 2258 1 6 . 1 1 61 61 ASP H H 61 7.418 7.418 7.828 -0.410 25856 2259 1 6 . 1 1 62 62 LEU N N 62 124.044 124.044 115.908 8.136 25856 2260 1 6 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.950 0.537 25856 2261 1 6 . 1 1 62 62 LEU C C 62 177.109 177.109 176.055 1.054 25856 2262 1 6 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.725 -0.495 25856 2263 1 6 . 1 1 62 62 LEU CB C 62 40.930 40.930 40.283 0.647 25856 2264 1 6 . 1 1 62 62 LEU H H 62 8.743 8.743 8.207 0.536 25856 2265 1 6 . 1 1 63 63 THR N N 63 107.624 107.624 108.178 -0.554 25856 2266 1 6 . 1 1 63 63 THR HA H 63 4.608 4.608 4.213 0.395 25856 2267 1 6 . 1 1 63 63 THR C C 63 174.873 174.873 173.224 1.649 25856 2268 1 6 . 1 1 63 63 THR CA C 63 62.686 62.686 61.274 1.412 25856 2269 1 6 . 1 1 63 63 THR CB C 63 70.393 70.393 69.609 0.784 25856 2270 1 6 . 1 1 63 63 THR H H 63 8.415 8.415 7.984 0.431 25856 2271 1 6 . 1 1 64 64 ARG N N 64 120.138 120.138 119.618 0.520 25856 2272 1 6 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.362 0.257 25856 2273 1 6 . 1 1 64 64 ARG C C 64 174.858 174.858 173.697 1.161 25856 2274 1 6 . 1 1 64 64 ARG CA C 64 54.218 54.218 54.989 -0.771 25856 2275 1 6 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.754 0.772 25856 2276 1 6 . 1 1 64 64 ARG H H 64 7.200 7.200 7.583 -0.383 25856 2277 1 6 . 1 1 65 65 GLY N N 65 106.034 106.034 109.144 -3.110 25856 2278 1 6 . 1 1 65 65 GLY C C 65 171.075 171.075 171.858 -0.783 25856 2279 1 6 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.644 -0.291 25856 2280 1 6 . 1 1 65 65 GLY H H 65 8.618 8.618 8.750 -0.132 25856 2281 1 6 . 1 1 66 66 ARG N N 66 118.635 118.635 119.585 -0.950 25856 2282 1 6 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.574 -0.588 25856 2283 1 6 . 1 1 66 66 ARG C C 66 175.345 175.345 174.600 0.745 25856 2284 1 6 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.466 -0.775 25856 2285 1 6 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.765 -1.354 25856 2286 1 6 . 1 1 66 66 ARG H H 66 8.621 8.621 8.643 -0.022 25856 2287 1 6 . 1 1 67 67 ILE N N 67 125.220 125.220 127.665 -2.445 25856 2288 1 6 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.715 -0.313 25856 2289 1 6 . 1 1 67 67 ILE C C 67 176.084 176.084 176.544 -0.460 25856 2290 1 6 . 1 1 67 67 ILE CA C 67 62.299 62.299 61.310 0.989 25856 2291 1 6 . 1 1 67 67 ILE CB C 67 39.359 39.359 37.738 1.621 25856 2292 1 6 . 1 1 67 67 ILE H H 67 9.083 9.083 9.088 -0.005 25856 2293 1 6 . 1 1 68 68 THR N N 68 117.584 117.584 121.619 -4.035 25856 2294 1 6 . 1 1 68 68 THR HA H 68 4.435 4.435 4.503 -0.068 25856 2295 1 6 . 1 1 68 68 THR C C 68 174.406 174.406 173.717 0.689 25856 2296 1 6 . 1 1 68 68 THR CA C 68 61.164 61.164 62.387 -1.223 25856 2297 1 6 . 1 1 68 68 THR CB C 68 69.514 69.514 70.581 -1.067 25856 2298 1 6 . 1 1 68 68 THR H H 68 8.691 8.691 9.105 -0.414 25856 2299 1 6 . 1 1 69 69 TYR N N 69 120.904 120.904 119.871 1.033 25856 2300 1 6 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.570 -0.217 25856 2301 1 6 . 1 1 69 69 TYR C C 69 172.657 172.657 172.676 -0.019 25856 2302 1 6 . 1 1 69 69 TYR CA C 69 58.734 58.734 58.142 0.592 25856 2303 1 6 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.680 -0.249 25856 2304 1 6 . 1 1 69 69 TYR H H 69 7.479 7.479 7.510 -0.031 25856 2305 1 6 . 1 1 70 70 ARG N N 70 125.781 125.781 122.119 3.662 25856 2306 1 6 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.533 0.158 25856 2307 1 6 . 1 1 70 70 ARG C C 70 174.016 174.016 173.378 0.638 25856 2308 1 6 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.287 0.374 25856 2309 1 6 . 1 1 70 70 ARG CB C 70 31.816 31.816 32.916 -1.100 25856 2310 1 6 . 1 1 70 70 ARG H H 70 7.439 7.439 7.429 0.010 25856 2311 1 6 . 1 1 71 71 TYR N N 71 124.942 124.942 123.168 1.774 25856 2312 1 6 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.483 -0.232 25856 2313 1 6 . 1 1 71 71 TYR C C 71 175.278 175.278 175.285 -0.007 25856 2314 1 6 . 1 1 71 71 TYR CA C 71 58.445 58.445 57.584 0.861 25856 2315 1 6 . 1 1 71 71 TYR CB C 71 38.803 38.803 39.729 -0.926 25856 2316 1 6 . 1 1 71 71 TYR H H 71 8.478 8.478 8.983 -0.505 25856 2317 1 7 . 1 1 5 5 ASP N N 5 121.636 121.636 121.978 -0.342 25856 2318 1 7 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.560 0.021 25856 2319 1 7 . 1 1 5 5 ASP C C 5 175.317 175.317 175.843 -0.526 25856 2320 1 7 . 1 1 5 5 ASP CA C 5 54.687 54.687 56.351 -1.664 25856 2321 1 7 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.555 -0.295 25856 2322 1 7 . 1 1 5 5 ASP H H 5 8.370 8.370 8.215 0.155 25856 2323 1 7 . 1 1 6 6 VAL N N 6 116.054 116.054 115.905 0.149 25856 2324 1 7 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.260 0.295 25856 2325 1 7 . 1 1 6 6 VAL C C 6 174.969 174.969 174.619 0.350 25856 2326 1 7 . 1 1 6 6 VAL CA C 6 60.949 60.949 59.791 1.158 25856 2327 1 7 . 1 1 6 6 VAL CB C 6 35.032 35.032 36.197 -1.165 25856 2328 1 7 . 1 1 6 6 VAL H H 6 7.702 7.702 7.492 0.210 25856 2329 1 7 . 1 1 7 7 ILE N N 7 123.240 123.240 123.913 -0.673 25856 2330 1 7 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.341 0.041 25856 2331 1 7 . 1 1 7 7 ILE C C 7 174.177 174.177 174.769 -0.592 25856 2332 1 7 . 1 1 7 7 ILE CA C 7 60.100 60.100 58.929 1.171 25856 2333 1 7 . 1 1 7 7 ILE CB C 7 40.712 40.712 37.597 3.115 25856 2334 1 7 . 1 1 7 7 ILE H H 7 8.748 8.748 9.184 -0.436 25856 2335 1 7 . 1 1 8 8 GLU N N 8 124.266 124.266 128.216 -3.950 25856 2336 1 7 . 1 1 8 8 GLU HA H 8 5.350 5.350 4.921 0.429 25856 2337 1 7 . 1 1 8 8 GLU C C 8 175.592 175.592 175.474 0.118 25856 2338 1 7 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.830 -1.106 25856 2339 1 7 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.414 3.096 25856 2340 1 7 . 1 1 8 8 GLU H H 8 8.236 8.236 8.761 -0.525 25856 2341 1 7 . 1 1 9 9 LEU N N 9 125.462 125.462 125.569 -0.107 25856 2342 1 7 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.766 0.011 25856 2343 1 7 . 1 1 9 9 LEU C C 9 174.654 174.654 174.967 -0.313 25856 2344 1 7 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.525 0.347 25856 2345 1 7 . 1 1 9 9 LEU CB C 9 47.173 47.173 47.159 0.014 25856 2346 1 7 . 1 1 9 9 LEU H H 9 8.947 8.947 8.693 0.254 25856 2347 1 7 . 1 1 10 10 GLU N N 10 119.884 119.884 119.796 0.088 25856 2348 1 7 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.062 0.114 25856 2349 1 7 . 1 1 10 10 GLU C C 10 176.424 176.424 175.493 0.931 25856 2350 1 7 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.832 0.440 25856 2351 1 7 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.888 -1.073 25856 2352 1 7 . 1 1 10 10 GLU H H 10 8.697 8.697 8.602 0.095 25856 2353 1 7 . 1 1 11 11 GLY N N 11 107.302 107.302 110.624 -3.322 25856 2354 1 7 . 1 1 11 11 GLY C C 11 171.493 171.493 173.277 -1.784 25856 2355 1 7 . 1 1 11 11 GLY CA C 11 45.682 45.682 44.800 0.882 25856 2356 1 7 . 1 1 11 11 GLY H H 11 8.896 8.896 8.813 0.083 25856 2357 1 7 . 1 1 12 12 THR N N 12 115.723 115.723 117.980 -2.257 25856 2358 1 7 . 1 1 12 12 THR HA H 12 5.057 5.057 4.942 0.115 25856 2359 1 7 . 1 1 12 12 THR C C 12 174.347 174.347 173.147 1.200 25856 2360 1 7 . 1 1 12 12 THR CA C 12 61.226 61.226 61.913 -0.687 25856 2361 1 7 . 1 1 12 12 THR CB C 12 71.245 71.245 71.747 -0.502 25856 2362 1 7 . 1 1 12 12 THR H H 12 8.551 8.551 9.080 -0.529 25856 2363 1 7 . 1 1 13 13 VAL N N 13 127.141 127.141 127.201 -0.060 25856 2364 1 7 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.383 -0.583 25856 2365 1 7 . 1 1 13 13 VAL C C 13 175.760 175.760 174.286 1.474 25856 2366 1 7 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.350 3.168 25856 2367 1 7 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.172 -1.617 25856 2368 1 7 . 1 1 13 13 VAL H H 13 9.135 9.135 8.511 0.624 25856 2369 1 7 . 1 1 14 14 LEU N N 14 129.942 129.942 129.957 -0.015 25856 2370 1 7 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.609 -0.059 25856 2371 1 7 . 1 1 14 14 LEU C C 14 176.277 176.277 176.907 -0.630 25856 2372 1 7 . 1 1 14 14 LEU CA C 14 55.675 55.675 56.402 -0.727 25856 2373 1 7 . 1 1 14 14 LEU CB C 14 44.004 44.004 43.015 0.989 25856 2374 1 7 . 1 1 14 14 LEU H H 14 9.536 9.536 9.061 0.475 25856 2375 1 7 . 1 1 15 15 ASP N N 15 113.621 113.621 118.219 -4.598 25856 2376 1 7 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.051 -0.073 25856 2377 1 7 . 1 1 15 15 ASP C C 15 174.864 174.864 175.127 -0.263 25856 2378 1 7 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.102 0.215 25856 2379 1 7 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.480 0.290 25856 2380 1 7 . 1 1 15 15 ASP H H 15 7.609 7.609 7.841 -0.232 25856 2381 1 7 . 1 1 16 16 THR N N 16 115.901 115.901 112.476 3.425 25856 2382 1 7 . 1 1 16 16 THR HA H 16 4.298 4.298 4.118 0.180 25856 2383 1 7 . 1 1 16 16 THR C C 16 172.704 172.704 173.877 -1.173 25856 2384 1 7 . 1 1 16 16 THR CA C 16 60.251 60.251 61.486 -1.235 25856 2385 1 7 . 1 1 16 16 THR CB C 16 69.494 69.494 69.216 0.278 25856 2386 1 7 . 1 1 16 16 THR H H 16 8.841 8.841 8.329 0.512 25856 2387 1 7 . 1 1 17 17 LEU N N 17 125.747 125.747 126.322 -0.575 25856 2388 1 7 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.744 -0.061 25856 2389 1 7 . 1 1 17 17 LEU C C 17 174.509 174.509 175.230 -0.721 25856 2390 1 7 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.407 1.387 25856 2391 1 7 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.408 0.173 25856 2392 1 7 . 1 1 17 17 LEU H H 17 7.913 7.913 8.029 -0.116 25856 2393 1 7 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.194 0.130 25856 2394 1 7 . 1 1 18 18 PRO C C 18 175.973 175.973 176.754 -0.781 25856 2395 1 7 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.621 -0.472 25856 2396 1 7 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.013 0.215 25856 2397 1 7 . 1 1 19 19 ASN N N 19 115.147 115.147 118.538 -3.391 25856 2398 1 7 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.316 -0.085 25856 2399 1 7 . 1 1 19 19 ASN C C 19 174.180 174.180 174.739 -0.559 25856 2400 1 7 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.580 0.519 25856 2401 1 7 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.908 -0.999 25856 2402 1 7 . 1 1 19 19 ASN H H 19 8.598 8.598 8.775 -0.177 25856 2403 1 7 . 1 1 20 20 ALA N N 20 116.191 116.191 114.436 1.755 25856 2404 1 7 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.585 0.216 25856 2405 1 7 . 1 1 20 20 ALA C C 20 174.990 174.990 175.207 -0.217 25856 2406 1 7 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.946 0.010 25856 2407 1 7 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.304 -0.761 25856 2408 1 7 . 1 1 20 20 ALA H H 20 8.335 8.335 7.900 0.435 25856 2409 1 7 . 1 1 21 21 MET N N 21 113.560 113.560 116.756 -3.196 25856 2410 1 7 . 1 1 21 21 MET HA H 21 5.124 5.124 4.898 0.226 25856 2411 1 7 . 1 1 21 21 MET C C 21 175.205 175.205 174.437 0.768 25856 2412 1 7 . 1 1 21 21 MET CA C 21 54.597 54.597 54.148 0.449 25856 2413 1 7 . 1 1 21 21 MET CB C 21 35.150 35.150 35.631 -0.481 25856 2414 1 7 . 1 1 21 21 MET H H 21 6.302 6.302 7.085 -0.783 25856 2415 1 7 . 1 1 22 22 PHE N N 22 117.199 117.199 119.618 -2.419 25856 2416 1 7 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.937 -0.019 25856 2417 1 7 . 1 1 22 22 PHE C C 22 174.697 174.697 174.157 0.540 25856 2418 1 7 . 1 1 22 22 PHE CA C 22 57.132 57.132 56.842 0.290 25856 2419 1 7 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.627 -0.493 25856 2420 1 7 . 1 1 22 22 PHE H H 22 9.007 9.007 9.420 -0.413 25856 2421 1 7 . 1 1 23 23 LYS N N 23 122.934 122.934 124.583 -1.649 25856 2422 1 7 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.859 0.258 25856 2423 1 7 . 1 1 23 23 LYS C C 23 175.853 175.853 174.971 0.882 25856 2424 1 7 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.821 -0.225 25856 2425 1 7 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.248 0.774 25856 2426 1 7 . 1 1 23 23 LYS H H 23 8.340 8.340 8.609 -0.269 25856 2427 1 7 . 1 1 24 24 VAL N N 24 128.487 128.487 127.182 1.305 25856 2428 1 7 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.529 0.112 25856 2429 1 7 . 1 1 24 24 VAL C C 24 173.199 173.199 174.563 -1.364 25856 2430 1 7 . 1 1 24 24 VAL CA C 24 60.705 60.705 61.366 -0.661 25856 2431 1 7 . 1 1 24 24 VAL CB C 24 35.609 35.609 33.925 1.684 25856 2432 1 7 . 1 1 24 24 VAL H H 24 9.123 9.123 9.223 -0.100 25856 2433 1 7 . 1 1 25 25 GLU N N 25 127.440 127.440 126.806 0.634 25856 2434 1 7 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.189 -0.476 25856 2435 1 7 . 1 1 25 25 GLU C C 25 176.358 176.358 176.470 -0.112 25856 2436 1 7 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.498 0.409 25856 2437 1 7 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.361 0.278 25856 2438 1 7 . 1 1 25 25 GLU H H 25 9.017 9.017 9.022 -0.005 25856 2439 1 7 . 1 1 26 26 LEU N N 26 128.629 128.629 126.372 2.257 25856 2440 1 7 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.327 0.477 25856 2441 1 7 . 1 1 26 26 LEU C C 26 179.339 179.339 178.472 0.867 25856 2442 1 7 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.959 -1.137 25856 2443 1 7 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.345 1.223 25856 2444 1 7 . 1 1 26 26 LEU H H 26 9.101 9.101 9.227 -0.126 25856 2445 1 7 . 1 1 27 27 GLU N N 27 119.613 119.613 121.816 -2.203 25856 2446 1 7 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.091 0.071 25856 2447 1 7 . 1 1 27 27 GLU C C 27 175.724 175.724 177.529 -1.805 25856 2448 1 7 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.666 -0.277 25856 2449 1 7 . 1 1 27 27 GLU CB C 27 29.682 29.682 28.909 0.773 25856 2450 1 7 . 1 1 27 27 GLU H H 27 8.794 8.794 8.490 0.304 25856 2451 1 7 . 1 1 28 28 ASN N N 28 114.625 114.625 116.472 -1.847 25856 2452 1 7 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.655 -0.044 25856 2453 1 7 . 1 1 28 28 ASN C C 28 176.299 176.299 176.474 -0.175 25856 2454 1 7 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.242 -0.761 25856 2455 1 7 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.911 -1.205 25856 2456 1 7 . 1 1 28 28 ASN H H 28 7.183 7.183 8.045 -0.862 25856 2457 1 7 . 1 1 29 29 GLY N N 29 107.903 107.903 108.577 -0.674 25856 2458 1 7 . 1 1 29 29 GLY C C 29 174.243 174.243 173.595 0.648 25856 2459 1 7 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.626 -0.319 25856 2460 1 7 . 1 1 29 29 GLY H H 29 6.899 6.899 8.092 -1.193 25856 2461 1 7 . 1 1 30 30 HIS N N 30 118.953 118.953 119.876 -0.923 25856 2462 1 7 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.702 -0.038 25856 2463 1 7 . 1 1 30 30 HIS C C 30 173.476 173.476 173.645 -0.169 25856 2464 1 7 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.080 0.867 25856 2465 1 7 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.809 -1.648 25856 2466 1 7 . 1 1 30 30 HIS H H 30 7.739 7.739 7.748 -0.009 25856 2467 1 7 . 1 1 31 31 GLU N N 31 123.512 123.512 126.008 -2.496 25856 2468 1 7 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.060 0.181 25856 2469 1 7 . 1 1 31 31 GLU C C 31 176.181 176.181 175.488 0.693 25856 2470 1 7 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.279 -0.191 25856 2471 1 7 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.620 1.263 25856 2472 1 7 . 1 1 31 31 GLU H H 31 8.495 8.495 8.584 -0.089 25856 2473 1 7 . 1 1 32 32 ILE N N 32 117.654 117.654 117.999 -0.345 25856 2474 1 7 . 1 1 32 32 ILE HA H 32 4.714 4.714 5.186 -0.472 25856 2475 1 7 . 1 1 32 32 ILE C C 32 174.438 174.438 174.051 0.387 25856 2476 1 7 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.590 -0.400 25856 2477 1 7 . 1 1 32 32 ILE CB C 32 43.234 43.234 42.164 1.070 25856 2478 1 7 . 1 1 32 32 ILE H H 32 9.005 9.005 9.156 -0.151 25856 2479 1 7 . 1 1 33 33 LEU N N 33 122.166 122.166 125.256 -3.090 25856 2480 1 7 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.448 -0.231 25856 2481 1 7 . 1 1 33 33 LEU C C 33 176.190 176.190 176.158 0.032 25856 2482 1 7 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.371 0.472 25856 2483 1 7 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.938 0.820 25856 2484 1 7 . 1 1 33 33 LEU H H 33 7.713 7.713 7.995 -0.282 25856 2485 1 7 . 1 1 34 34 ALA N N 34 125.096 125.096 125.283 -0.187 25856 2486 1 7 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.280 0.212 25856 2487 1 7 . 1 1 34 34 ALA C C 34 175.700 175.700 175.148 0.552 25856 2488 1 7 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.173 0.084 25856 2489 1 7 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.157 -0.006 25856 2490 1 7 . 1 1 34 34 ALA H H 34 9.442 9.442 9.133 0.309 25856 2491 1 7 . 1 1 35 35 HIS N N 35 117.670 117.670 120.128 -2.458 25856 2492 1 7 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.481 0.027 25856 2493 1 7 . 1 1 35 35 HIS C C 35 174.787 174.787 175.182 -0.395 25856 2494 1 7 . 1 1 35 35 HIS CA C 35 54.429 54.429 55.050 -0.621 25856 2495 1 7 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.758 -0.580 25856 2496 1 7 . 1 1 35 35 HIS H H 35 7.751 7.751 8.769 -1.018 25856 2497 1 7 . 1 1 36 36 VAL N N 36 119.236 119.236 120.805 -1.569 25856 2498 1 7 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.306 0.096 25856 2499 1 7 . 1 1 36 36 VAL C C 36 175.551 175.551 175.781 -0.230 25856 2500 1 7 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.373 0.960 25856 2501 1 7 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.920 0.469 25856 2502 1 7 . 1 1 36 36 VAL H H 36 9.217 9.217 7.601 1.616 25856 2503 1 7 . 1 1 37 37 SER N N 37 119.884 119.884 118.226 1.658 25856 2504 1 7 . 1 1 37 37 SER HA H 37 4.425 4.425 4.435 -0.010 25856 2505 1 7 . 1 1 37 37 SER C C 37 175.003 175.003 176.098 -1.095 25856 2506 1 7 . 1 1 37 37 SER CA C 37 57.971 57.971 58.371 -0.400 25856 2507 1 7 . 1 1 37 37 SER CB C 37 64.761 64.761 64.539 0.222 25856 2508 1 7 . 1 1 37 37 SER H H 37 8.375 8.375 8.084 0.291 25856 2509 1 7 . 1 1 38 38 GLY N N 38 122.166 122.166 108.855 13.311 25856 2510 1 7 . 1 1 38 38 GLY C C 38 175.253 175.253 175.825 -0.572 25856 2511 1 7 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.869 -0.114 25856 2512 1 7 . 1 1 38 38 GLY H H 38 8.822 8.822 8.932 -0.110 25856 2513 1 7 . 1 1 39 39 LYS N N 39 120.070 120.070 121.373 -1.303 25856 2514 1 7 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.154 -0.097 25856 2515 1 7 . 1 1 39 39 LYS C C 39 177.734 177.734 178.319 -0.585 25856 2516 1 7 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.229 -0.193 25856 2517 1 7 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.534 0.454 25856 2518 1 7 . 1 1 39 39 LYS H H 39 8.135 8.135 7.463 0.672 25856 2519 1 7 . 1 1 40 40 ILE N N 40 117.925 117.925 119.135 -1.210 25856 2520 1 7 . 1 1 40 40 ILE HA H 40 4.030 4.030 4.037 -0.007 25856 2521 1 7 . 1 1 40 40 ILE C C 40 176.736 176.736 177.870 -1.134 25856 2522 1 7 . 1 1 40 40 ILE CA C 40 61.757 61.757 64.012 -2.255 25856 2523 1 7 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.014 -0.212 25856 2524 1 7 . 1 1 40 40 ILE H H 40 7.416 7.416 7.551 -0.135 25856 2525 1 7 . 1 1 41 41 ARG N N 41 122.141 122.141 120.485 1.656 25856 2526 1 7 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.112 -0.006 25856 2527 1 7 . 1 1 41 41 ARG C C 41 177.543 177.543 177.751 -0.208 25856 2528 1 7 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.972 -0.937 25856 2529 1 7 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.728 -0.618 25856 2530 1 7 . 1 1 41 41 ARG H H 41 7.912 7.912 7.489 0.423 25856 2531 1 7 . 1 1 42 42 MET N N 42 118.223 118.223 115.564 2.659 25856 2532 1 7 . 1 1 42 42 MET HA H 42 4.281 4.281 4.444 -0.163 25856 2533 1 7 . 1 1 42 42 MET C C 42 175.862 175.862 176.920 -1.058 25856 2534 1 7 . 1 1 42 42 MET CA C 42 56.299 56.299 55.901 0.398 25856 2535 1 7 . 1 1 42 42 MET CB C 42 32.465 32.465 32.441 0.024 25856 2536 1 7 . 1 1 42 42 MET H H 42 8.090 8.090 7.987 0.103 25856 2537 1 7 . 1 1 43 43 ASN N N 43 117.020 117.020 115.795 1.225 25856 2538 1 7 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.818 -0.196 25856 2539 1 7 . 1 1 43 43 ASN C C 43 174.616 174.616 174.472 0.144 25856 2540 1 7 . 1 1 43 43 ASN CA C 43 53.276 53.276 51.795 1.481 25856 2541 1 7 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.307 -1.476 25856 2542 1 7 . 1 1 43 43 ASN H H 43 7.843 7.843 7.551 0.292 25856 2543 1 7 . 1 1 44 44 TYR N N 44 117.998 117.998 115.069 2.929 25856 2544 1 7 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.311 0.036 25856 2545 1 7 . 1 1 44 44 TYR C C 44 175.211 175.211 176.651 -1.440 25856 2546 1 7 . 1 1 44 44 TYR CA C 44 58.652 58.652 59.162 -0.510 25856 2547 1 7 . 1 1 44 44 TYR CB C 44 37.603 37.603 38.065 -0.462 25856 2548 1 7 . 1 1 44 44 TYR H H 44 7.712 7.712 8.068 -0.356 25856 2549 1 7 . 1 1 45 45 ILE N N 45 120.711 120.711 117.574 3.137 25856 2550 1 7 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.275 -0.332 25856 2551 1 7 . 1 1 45 45 ILE C C 45 173.895 173.895 174.563 -0.668 25856 2552 1 7 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.968 0.286 25856 2553 1 7 . 1 1 45 45 ILE CB C 45 38.574 38.574 36.399 2.175 25856 2554 1 7 . 1 1 45 45 ILE H H 45 7.466 7.466 7.324 0.142 25856 2555 1 7 . 1 1 46 46 ARG N N 46 124.912 124.912 125.559 -0.647 25856 2556 1 7 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.777 -0.393 25856 2557 1 7 . 1 1 46 46 ARG C C 46 174.759 174.759 175.319 -0.560 25856 2558 1 7 . 1 1 46 46 ARG CA C 46 55.534 55.534 54.571 0.963 25856 2559 1 7 . 1 1 46 46 ARG CB C 46 30.762 30.762 33.929 -3.167 25856 2560 1 7 . 1 1 46 46 ARG H H 46 8.077 8.077 7.695 0.382 25856 2561 1 7 . 1 1 47 47 ILE N N 47 125.326 125.326 122.162 3.164 25856 2562 1 7 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.071 -0.047 25856 2563 1 7 . 1 1 47 47 ILE C C 47 173.922 173.922 175.597 -1.675 25856 2564 1 7 . 1 1 47 47 ILE CA C 47 60.862 60.862 59.178 1.684 25856 2565 1 7 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.026 0.700 25856 2566 1 7 . 1 1 47 47 ILE H H 47 7.966 7.966 8.376 -0.410 25856 2567 1 7 . 1 1 48 48 LEU N N 48 128.989 128.989 128.958 0.031 25856 2568 1 7 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.901 -0.037 25856 2569 1 7 . 1 1 48 48 LEU C C 48 174.217 174.217 174.586 -0.369 25856 2570 1 7 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.553 0.162 25856 2571 1 7 . 1 1 48 48 LEU CB C 48 43.523 43.523 43.716 -0.193 25856 2572 1 7 . 1 1 48 48 LEU H H 48 8.765 8.765 8.295 0.470 25856 2573 1 7 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.211 -0.353 25856 2574 1 7 . 1 1 49 49 PRO C C 49 176.960 176.960 177.543 -0.583 25856 2575 1 7 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.180 -0.239 25856 2576 1 7 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.586 -0.330 25856 2577 1 7 . 1 1 50 50 GLY N N 50 114.638 114.638 113.792 0.846 25856 2578 1 7 . 1 1 50 50 GLY C C 50 174.448 174.448 174.433 0.015 25856 2579 1 7 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.788 -0.081 25856 2580 1 7 . 1 1 50 50 GLY H H 50 9.317 9.317 9.092 0.225 25856 2581 1 7 . 1 1 51 51 ASP N N 51 121.882 121.882 122.447 -0.565 25856 2582 1 7 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.647 -0.114 25856 2583 1 7 . 1 1 51 51 ASP C C 51 175.327 175.327 175.064 0.263 25856 2584 1 7 . 1 1 51 51 ASP CA C 51 55.393 55.393 54.128 1.265 25856 2585 1 7 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.172 -0.975 25856 2586 1 7 . 1 1 51 51 ASP H H 51 8.099 8.099 7.864 0.235 25856 2587 1 7 . 1 1 52 52 LYS N N 52 121.338 121.338 120.432 0.906 25856 2588 1 7 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.038 0.049 25856 2589 1 7 . 1 1 52 52 LYS C C 52 176.315 176.315 175.838 0.477 25856 2590 1 7 . 1 1 52 52 LYS CA C 52 54.652 54.652 54.112 0.540 25856 2591 1 7 . 1 1 52 52 LYS CB C 52 32.597 32.597 33.355 -0.758 25856 2592 1 7 . 1 1 52 52 LYS H H 52 8.410 8.410 8.597 -0.187 25856 2593 1 7 . 1 1 53 53 VAL N N 53 114.761 114.761 121.499 -6.738 25856 2594 1 7 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.930 0.320 25856 2595 1 7 . 1 1 53 53 VAL C C 53 174.278 174.278 174.628 -0.350 25856 2596 1 7 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.996 -2.016 25856 2597 1 7 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.438 0.824 25856 2598 1 7 . 1 1 53 53 VAL H H 53 8.693 8.693 8.552 0.141 25856 2599 1 7 . 1 1 54 54 THR N N 54 117.231 117.231 121.711 -4.480 25856 2600 1 7 . 1 1 54 54 THR HA H 54 4.837 4.837 4.892 -0.055 25856 2601 1 7 . 1 1 54 54 THR C C 54 173.923 173.923 173.056 0.867 25856 2602 1 7 . 1 1 54 54 THR CA C 54 62.448 62.448 63.056 -0.608 25856 2603 1 7 . 1 1 54 54 THR CB C 54 69.891 69.891 69.749 0.142 25856 2604 1 7 . 1 1 54 54 THR H H 54 8.296 8.296 8.852 -0.556 25856 2605 1 7 . 1 1 55 55 VAL N N 55 124.203 124.203 126.379 -2.176 25856 2606 1 7 . 1 1 55 55 VAL HA H 55 4.832 4.832 5.158 -0.326 25856 2607 1 7 . 1 1 55 55 VAL C C 55 174.106 174.106 174.007 0.099 25856 2608 1 7 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.148 0.403 25856 2609 1 7 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.335 -0.759 25856 2610 1 7 . 1 1 55 55 VAL H H 55 9.331 9.331 9.118 0.213 25856 2611 1 7 . 1 1 56 56 GLU N N 56 123.984 123.984 127.883 -3.899 25856 2612 1 7 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.464 -0.244 25856 2613 1 7 . 1 1 56 56 GLU C C 56 176.645 176.645 175.486 1.159 25856 2614 1 7 . 1 1 56 56 GLU CA C 56 54.402 54.402 54.447 -0.045 25856 2615 1 7 . 1 1 56 56 GLU CB C 56 32.700 32.700 31.184 1.516 25856 2616 1 7 . 1 1 56 56 GLU H H 56 9.143 9.143 8.689 0.454 25856 2617 1 7 . 1 1 57 57 MET N N 57 123.465 123.465 122.891 0.574 25856 2618 1 7 . 1 1 57 57 MET HA H 57 4.795 4.795 4.999 -0.204 25856 2619 1 7 . 1 1 57 57 MET C C 57 174.899 174.899 175.361 -0.462 25856 2620 1 7 . 1 1 57 57 MET CA C 57 54.339 54.339 54.014 0.325 25856 2621 1 7 . 1 1 57 57 MET CB C 57 36.252 36.252 37.420 -1.168 25856 2622 1 7 . 1 1 57 57 MET H H 57 9.173 9.173 9.074 0.099 25856 2623 1 7 . 1 1 58 58 SER N N 58 117.390 117.390 117.474 -0.084 25856 2624 1 7 . 1 1 58 58 SER HA H 58 5.039 5.039 4.879 0.160 25856 2625 1 7 . 1 1 58 58 SER C C 58 174.693 174.693 174.194 0.499 25856 2626 1 7 . 1 1 58 58 SER CA C 58 54.932 54.932 56.801 -1.869 25856 2627 1 7 . 1 1 58 58 SER CB C 58 64.587 64.587 62.634 1.953 25856 2628 1 7 . 1 1 58 58 SER H H 58 9.184 9.184 8.782 0.402 25856 2629 1 7 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.318 -0.212 25856 2630 1 7 . 1 1 59 59 PRO C C 59 176.290 176.290 176.761 -0.471 25856 2631 1 7 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.921 -1.068 25856 2632 1 7 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.934 -0.168 25856 2633 1 7 . 1 1 60 60 TYR N N 60 113.938 113.938 118.058 -4.120 25856 2634 1 7 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.545 -0.056 25856 2635 1 7 . 1 1 60 60 TYR C C 60 175.439 175.439 176.016 -0.577 25856 2636 1 7 . 1 1 60 60 TYR CA C 60 57.342 57.342 58.867 -1.525 25856 2637 1 7 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.259 -0.966 25856 2638 1 7 . 1 1 60 60 TYR H H 60 7.307 7.307 8.284 -0.977 25856 2639 1 7 . 1 1 61 61 ASP N N 61 118.283 118.283 119.012 -0.729 25856 2640 1 7 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.513 0.254 25856 2641 1 7 . 1 1 61 61 ASP C C 61 174.996 174.996 176.925 -1.929 25856 2642 1 7 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.501 -0.659 25856 2643 1 7 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.646 -1.224 25856 2644 1 7 . 1 1 61 61 ASP H H 61 7.418 7.418 7.928 -0.510 25856 2645 1 7 . 1 1 62 62 LEU N N 62 124.044 124.044 117.723 6.321 25856 2646 1 7 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.919 0.568 25856 2647 1 7 . 1 1 62 62 LEU C C 62 177.109 177.109 175.957 1.152 25856 2648 1 7 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.717 -0.486 25856 2649 1 7 . 1 1 62 62 LEU CB C 62 40.930 40.930 39.813 1.117 25856 2650 1 7 . 1 1 62 62 LEU H H 62 8.743 8.743 8.215 0.528 25856 2651 1 7 . 1 1 63 63 THR N N 63 107.624 107.624 113.137 -5.513 25856 2652 1 7 . 1 1 63 63 THR HA H 63 4.608 4.608 4.670 -0.062 25856 2653 1 7 . 1 1 63 63 THR C C 63 174.873 174.873 173.627 1.246 25856 2654 1 7 . 1 1 63 63 THR CA C 63 62.686 62.686 62.382 0.304 25856 2655 1 7 . 1 1 63 63 THR CB C 63 70.393 70.393 70.850 -0.457 25856 2656 1 7 . 1 1 63 63 THR H H 63 8.415 8.415 8.994 -0.579 25856 2657 1 7 . 1 1 64 64 ARG N N 64 120.138 120.138 119.541 0.597 25856 2658 1 7 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.303 0.316 25856 2659 1 7 . 1 1 64 64 ARG C C 64 174.858 174.858 174.981 -0.123 25856 2660 1 7 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.803 0.415 25856 2661 1 7 . 1 1 64 64 ARG CB C 64 34.526 34.526 34.746 -0.220 25856 2662 1 7 . 1 1 64 64 ARG H H 64 7.200 7.200 8.905 -1.705 25856 2663 1 7 . 1 1 65 65 GLY N N 65 106.034 106.034 106.360 -0.326 25856 2664 1 7 . 1 1 65 65 GLY C C 65 171.075 171.075 171.879 -0.804 25856 2665 1 7 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.789 -0.436 25856 2666 1 7 . 1 1 65 65 GLY H H 65 8.618 8.618 7.875 0.743 25856 2667 1 7 . 1 1 66 66 ARG N N 66 118.635 118.635 119.185 -0.550 25856 2668 1 7 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.513 -0.527 25856 2669 1 7 . 1 1 66 66 ARG C C 66 175.345 175.345 174.460 0.885 25856 2670 1 7 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.102 -0.411 25856 2671 1 7 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.909 -1.498 25856 2672 1 7 . 1 1 66 66 ARG H H 66 8.621 8.621 8.466 0.155 25856 2673 1 7 . 1 1 67 67 ILE N N 67 125.220 125.220 125.130 0.090 25856 2674 1 7 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.833 -0.431 25856 2675 1 7 . 1 1 67 67 ILE C C 67 176.084 176.084 175.850 0.234 25856 2676 1 7 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.544 1.755 25856 2677 1 7 . 1 1 67 67 ILE CB C 67 39.359 39.359 38.115 1.244 25856 2678 1 7 . 1 1 67 67 ILE H H 67 9.083 9.083 8.871 0.212 25856 2679 1 7 . 1 1 68 68 THR N N 68 117.584 117.584 121.787 -4.203 25856 2680 1 7 . 1 1 68 68 THR HA H 68 4.435 4.435 4.549 -0.114 25856 2681 1 7 . 1 1 68 68 THR C C 68 174.406 174.406 173.867 0.539 25856 2682 1 7 . 1 1 68 68 THR CA C 68 61.164 61.164 62.184 -1.020 25856 2683 1 7 . 1 1 68 68 THR CB C 68 69.514 69.514 70.589 -1.075 25856 2684 1 7 . 1 1 68 68 THR H H 68 8.691 8.691 8.358 0.333 25856 2685 1 7 . 1 1 69 69 TYR N N 69 120.904 120.904 122.584 -1.680 25856 2686 1 7 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.756 -0.403 25856 2687 1 7 . 1 1 69 69 TYR C C 69 172.657 172.657 173.163 -0.506 25856 2688 1 7 . 1 1 69 69 TYR CA C 69 58.734 58.734 56.947 1.787 25856 2689 1 7 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.857 -0.426 25856 2690 1 7 . 1 1 69 69 TYR H H 69 7.479 7.479 7.493 -0.014 25856 2691 1 7 . 1 1 70 70 ARG N N 70 125.781 125.781 123.626 2.155 25856 2692 1 7 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.789 -0.098 25856 2693 1 7 . 1 1 70 70 ARG C C 70 174.016 174.016 174.356 -0.340 25856 2694 1 7 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.645 0.016 25856 2695 1 7 . 1 1 70 70 ARG CB C 70 31.816 31.816 33.439 -1.623 25856 2696 1 7 . 1 1 70 70 ARG H H 70 7.439 7.439 7.431 0.008 25856 2697 1 7 . 1 1 71 71 TYR N N 71 124.942 124.942 124.524 0.418 25856 2698 1 7 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.452 -0.201 25856 2699 1 7 . 1 1 71 71 TYR C C 71 175.278 175.278 174.679 0.599 25856 2700 1 7 . 1 1 71 71 TYR CA C 71 58.445 58.445 58.176 0.269 25856 2701 1 7 . 1 1 71 71 TYR CB C 71 38.803 38.803 39.968 -1.165 25856 2702 1 7 . 1 1 71 71 TYR H H 71 8.478 8.478 8.790 -0.312 25856 2703 1 8 . 1 1 5 5 ASP N N 5 121.636 121.636 118.944 2.692 25856 2704 1 8 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.795 -0.214 25856 2705 1 8 . 1 1 5 5 ASP C C 5 175.317 175.317 175.673 -0.356 25856 2706 1 8 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.016 -0.329 25856 2707 1 8 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.983 -0.723 25856 2708 1 8 . 1 1 5 5 ASP H H 5 8.370 8.370 8.545 -0.175 25856 2709 1 8 . 1 1 6 6 VAL N N 6 116.054 116.054 118.349 -2.295 25856 2710 1 8 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.139 0.416 25856 2711 1 8 . 1 1 6 6 VAL C C 6 174.969 174.969 175.199 -0.230 25856 2712 1 8 . 1 1 6 6 VAL CA C 6 60.949 60.949 61.230 -0.281 25856 2713 1 8 . 1 1 6 6 VAL CB C 6 35.032 35.032 33.861 1.171 25856 2714 1 8 . 1 1 6 6 VAL H H 6 7.702 7.702 7.461 0.241 25856 2715 1 8 . 1 1 7 7 ILE N N 7 123.240 123.240 125.922 -2.682 25856 2716 1 8 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.416 -0.034 25856 2717 1 8 . 1 1 7 7 ILE C C 7 174.177 174.177 174.656 -0.479 25856 2718 1 8 . 1 1 7 7 ILE CA C 7 60.100 60.100 59.151 0.949 25856 2719 1 8 . 1 1 7 7 ILE CB C 7 40.712 40.712 40.968 -0.256 25856 2720 1 8 . 1 1 7 7 ILE H H 7 8.748 8.748 9.159 -0.410 25856 2721 1 8 . 1 1 8 8 GLU N N 8 124.266 124.266 125.549 -1.283 25856 2722 1 8 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.109 0.241 25856 2723 1 8 . 1 1 8 8 GLU C C 8 175.592 175.592 175.186 0.406 25856 2724 1 8 . 1 1 8 8 GLU CA C 8 54.724 54.724 54.930 -0.206 25856 2725 1 8 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.004 3.506 25856 2726 1 8 . 1 1 8 8 GLU H H 8 8.236 8.236 8.556 -0.320 25856 2727 1 8 . 1 1 9 9 LEU N N 9 125.462 125.462 125.293 0.169 25856 2728 1 8 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.845 -0.068 25856 2729 1 8 . 1 1 9 9 LEU C C 9 174.654 174.654 175.880 -1.226 25856 2730 1 8 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.178 0.694 25856 2731 1 8 . 1 1 9 9 LEU CB C 9 47.173 47.173 45.726 1.447 25856 2732 1 8 . 1 1 9 9 LEU H H 9 8.947 8.947 8.978 -0.031 25856 2733 1 8 . 1 1 10 10 GLU N N 10 119.884 119.884 119.063 0.821 25856 2734 1 8 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.482 -0.306 25856 2735 1 8 . 1 1 10 10 GLU C C 10 176.424 176.424 176.149 0.275 25856 2736 1 8 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.638 0.634 25856 2737 1 8 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.219 -0.404 25856 2738 1 8 . 1 1 10 10 GLU H H 10 8.697 8.697 8.553 0.144 25856 2739 1 8 . 1 1 11 11 GLY N N 11 107.302 107.302 108.964 -1.662 25856 2740 1 8 . 1 1 11 11 GLY C C 11 171.493 171.493 172.534 -1.041 25856 2741 1 8 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.120 0.562 25856 2742 1 8 . 1 1 11 11 GLY H H 11 8.896 8.896 8.023 0.873 25856 2743 1 8 . 1 1 12 12 THR N N 12 115.723 115.723 117.222 -1.499 25856 2744 1 8 . 1 1 12 12 THR HA H 12 5.057 5.057 5.240 -0.183 25856 2745 1 8 . 1 1 12 12 THR C C 12 174.347 174.347 173.637 0.710 25856 2746 1 8 . 1 1 12 12 THR CA C 12 61.226 61.226 61.746 -0.520 25856 2747 1 8 . 1 1 12 12 THR CB C 12 71.245 71.245 70.884 0.361 25856 2748 1 8 . 1 1 12 12 THR H H 12 8.551 8.551 8.943 -0.392 25856 2749 1 8 . 1 1 13 13 VAL N N 13 127.141 127.141 127.451 -0.310 25856 2750 1 8 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.500 -0.700 25856 2751 1 8 . 1 1 13 13 VAL C C 13 175.760 175.760 174.941 0.819 25856 2752 1 8 . 1 1 13 13 VAL CA C 13 64.518 64.518 60.827 3.691 25856 2753 1 8 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.147 -1.592 25856 2754 1 8 . 1 1 13 13 VAL H H 13 9.135 9.135 8.689 0.446 25856 2755 1 8 . 1 1 14 14 LEU N N 14 129.942 129.942 129.083 0.859 25856 2756 1 8 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.476 0.074 25856 2757 1 8 . 1 1 14 14 LEU C C 14 176.277 176.277 177.081 -0.804 25856 2758 1 8 . 1 1 14 14 LEU CA C 14 55.675 55.675 56.411 -0.736 25856 2759 1 8 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.717 1.287 25856 2760 1 8 . 1 1 14 14 LEU H H 14 9.536 9.536 8.941 0.595 25856 2761 1 8 . 1 1 15 15 ASP N N 15 113.621 113.621 115.376 -1.755 25856 2762 1 8 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.736 0.242 25856 2763 1 8 . 1 1 15 15 ASP C C 15 174.864 174.864 173.925 0.939 25856 2764 1 8 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.404 -0.087 25856 2765 1 8 . 1 1 15 15 ASP CB C 15 44.770 44.770 43.897 0.873 25856 2766 1 8 . 1 1 15 15 ASP H H 15 7.609 7.609 7.480 0.129 25856 2767 1 8 . 1 1 16 16 THR N N 16 115.901 115.901 113.770 2.131 25856 2768 1 8 . 1 1 16 16 THR HA H 16 4.298 4.298 4.016 0.282 25856 2769 1 8 . 1 1 16 16 THR C C 16 172.704 172.704 174.530 -1.826 25856 2770 1 8 . 1 1 16 16 THR CA C 16 60.251 60.251 61.015 -0.764 25856 2771 1 8 . 1 1 16 16 THR CB C 16 69.494 69.494 69.100 0.394 25856 2772 1 8 . 1 1 16 16 THR H H 16 8.841 8.841 8.132 0.709 25856 2773 1 8 . 1 1 17 17 LEU N N 17 125.747 125.747 126.105 -0.358 25856 2774 1 8 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.781 -0.098 25856 2775 1 8 . 1 1 17 17 LEU C C 17 174.509 174.509 175.548 -1.039 25856 2776 1 8 . 1 1 17 17 LEU CA C 17 52.794 52.794 52.102 0.692 25856 2777 1 8 . 1 1 17 17 LEU CB C 17 42.581 42.581 41.614 0.967 25856 2778 1 8 . 1 1 17 17 LEU H H 17 7.913 7.913 8.771 -0.858 25856 2779 1 8 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.313 0.011 25856 2780 1 8 . 1 1 18 18 PRO C C 18 175.973 175.973 176.735 -0.762 25856 2781 1 8 . 1 1 18 18 PRO CA C 18 63.149 63.149 64.125 -0.976 25856 2782 1 8 . 1 1 18 18 PRO CB C 18 32.228 32.228 31.962 0.266 25856 2783 1 8 . 1 1 19 19 ASN N N 19 115.147 115.147 116.067 -0.920 25856 2784 1 8 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.368 -0.137 25856 2785 1 8 . 1 1 19 19 ASN C C 19 174.180 174.180 175.145 -0.965 25856 2786 1 8 . 1 1 19 19 ASN CA C 19 54.099 54.099 54.003 0.096 25856 2787 1 8 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.235 -0.325 25856 2788 1 8 . 1 1 19 19 ASN H H 19 8.598 8.598 8.872 -0.274 25856 2789 1 8 . 1 1 20 20 ALA N N 20 116.191 116.191 116.224 -0.033 25856 2790 1 8 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.935 -0.134 25856 2791 1 8 . 1 1 20 20 ALA C C 20 174.990 174.990 175.523 -0.533 25856 2792 1 8 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.230 -0.274 25856 2793 1 8 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.764 -1.221 25856 2794 1 8 . 1 1 20 20 ALA H H 20 8.335 8.335 8.098 0.237 25856 2795 1 8 . 1 1 21 21 MET N N 21 113.560 113.560 116.182 -2.622 25856 2796 1 8 . 1 1 21 21 MET HA H 21 5.124 5.124 5.544 -0.420 25856 2797 1 8 . 1 1 21 21 MET C C 21 175.205 175.205 175.702 -0.497 25856 2798 1 8 . 1 1 21 21 MET CA C 21 54.597 54.597 53.045 1.552 25856 2799 1 8 . 1 1 21 21 MET CB C 21 35.150 35.150 33.603 1.547 25856 2800 1 8 . 1 1 21 21 MET H H 21 6.302 6.302 7.505 -1.203 25856 2801 1 8 . 1 1 22 22 PHE N N 22 117.199 117.199 121.177 -3.978 25856 2802 1 8 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.834 0.084 25856 2803 1 8 . 1 1 22 22 PHE C C 22 174.697 174.697 174.438 0.259 25856 2804 1 8 . 1 1 22 22 PHE CA C 22 57.132 57.132 55.641 1.491 25856 2805 1 8 . 1 1 22 22 PHE CB C 22 43.134 43.134 41.918 1.216 25856 2806 1 8 . 1 1 22 22 PHE H H 22 9.007 9.007 9.551 -0.544 25856 2807 1 8 . 1 1 23 23 LYS N N 23 122.934 122.934 125.563 -2.629 25856 2808 1 8 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.884 0.233 25856 2809 1 8 . 1 1 23 23 LYS C C 23 175.853 175.853 174.805 1.048 25856 2810 1 8 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.846 -0.250 25856 2811 1 8 . 1 1 23 23 LYS CB C 23 34.022 34.022 32.991 1.031 25856 2812 1 8 . 1 1 23 23 LYS H H 23 8.340 8.340 8.969 -0.629 25856 2813 1 8 . 1 1 24 24 VAL N N 24 128.487 128.487 127.215 1.272 25856 2814 1 8 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.730 -0.089 25856 2815 1 8 . 1 1 24 24 VAL C C 24 173.199 173.199 174.556 -1.357 25856 2816 1 8 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.221 0.484 25856 2817 1 8 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.213 1.396 25856 2818 1 8 . 1 1 24 24 VAL H H 24 9.123 9.123 8.865 0.258 25856 2819 1 8 . 1 1 25 25 GLU N N 25 127.440 127.440 126.208 1.232 25856 2820 1 8 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.155 -0.442 25856 2821 1 8 . 1 1 25 25 GLU C C 25 176.358 176.358 176.383 -0.025 25856 2822 1 8 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.725 0.182 25856 2823 1 8 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.371 0.268 25856 2824 1 8 . 1 1 25 25 GLU H H 25 9.017 9.017 9.092 -0.075 25856 2825 1 8 . 1 1 26 26 LEU N N 26 128.629 128.629 125.791 2.838 25856 2826 1 8 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.448 0.356 25856 2827 1 8 . 1 1 26 26 LEU C C 26 179.339 179.339 178.980 0.359 25856 2828 1 8 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.696 -0.874 25856 2829 1 8 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.496 1.072 25856 2830 1 8 . 1 1 26 26 LEU H H 26 9.101 9.101 8.975 0.126 25856 2831 1 8 . 1 1 27 27 GLU N N 27 119.613 119.613 121.230 -1.617 25856 2832 1 8 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.063 0.099 25856 2833 1 8 . 1 1 27 27 GLU C C 27 175.724 175.724 177.630 -1.906 25856 2834 1 8 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.927 -0.538 25856 2835 1 8 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.082 0.600 25856 2836 1 8 . 1 1 27 27 GLU H H 27 8.794 8.794 8.555 0.239 25856 2837 1 8 . 1 1 28 28 ASN N N 28 114.625 114.625 117.621 -2.996 25856 2838 1 8 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.662 -0.051 25856 2839 1 8 . 1 1 28 28 ASN C C 28 176.299 176.299 176.225 0.074 25856 2840 1 8 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.282 -0.801 25856 2841 1 8 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.696 -0.990 25856 2842 1 8 . 1 1 28 28 ASN H H 28 7.183 7.183 7.990 -0.807 25856 2843 1 8 . 1 1 29 29 GLY N N 29 107.903 107.903 107.449 0.454 25856 2844 1 8 . 1 1 29 29 GLY C C 29 174.243 174.243 173.463 0.780 25856 2845 1 8 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.438 -0.131 25856 2846 1 8 . 1 1 29 29 GLY H H 29 6.899 6.899 7.858 -0.959 25856 2847 1 8 . 1 1 30 30 HIS N N 30 118.953 118.953 119.625 -0.672 25856 2848 1 8 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.751 -0.087 25856 2849 1 8 . 1 1 30 30 HIS C C 30 173.476 173.476 173.544 -0.068 25856 2850 1 8 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.388 0.559 25856 2851 1 8 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.479 -1.318 25856 2852 1 8 . 1 1 30 30 HIS H H 30 7.739 7.739 8.134 -0.395 25856 2853 1 8 . 1 1 31 31 GLU N N 31 123.512 123.512 124.247 -0.735 25856 2854 1 8 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.917 0.324 25856 2855 1 8 . 1 1 31 31 GLU C C 31 176.181 176.181 175.242 0.939 25856 2856 1 8 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.357 -0.269 25856 2857 1 8 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.774 1.109 25856 2858 1 8 . 1 1 31 31 GLU H H 31 8.495 8.495 8.522 -0.027 25856 2859 1 8 . 1 1 32 32 ILE N N 32 117.654 117.654 116.553 1.101 25856 2860 1 8 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.888 -0.174 25856 2861 1 8 . 1 1 32 32 ILE C C 32 174.438 174.438 173.890 0.548 25856 2862 1 8 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.490 -0.300 25856 2863 1 8 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.744 1.490 25856 2864 1 8 . 1 1 32 32 ILE H H 32 9.005 9.005 9.090 -0.085 25856 2865 1 8 . 1 1 33 33 LEU N N 33 122.166 122.166 124.599 -2.433 25856 2866 1 8 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.213 0.004 25856 2867 1 8 . 1 1 33 33 LEU C C 33 176.190 176.190 176.750 -0.560 25856 2868 1 8 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.637 0.206 25856 2869 1 8 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.803 0.955 25856 2870 1 8 . 1 1 33 33 LEU H H 33 7.713 7.713 7.975 -0.262 25856 2871 1 8 . 1 1 34 34 ALA N N 34 125.096 125.096 126.813 -1.717 25856 2872 1 8 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.170 0.322 25856 2873 1 8 . 1 1 34 34 ALA C C 34 175.700 175.700 175.242 0.458 25856 2874 1 8 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.152 0.105 25856 2875 1 8 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.089 0.062 25856 2876 1 8 . 1 1 34 34 ALA H H 34 9.442 9.442 9.140 0.302 25856 2877 1 8 . 1 1 35 35 HIS N N 35 117.670 117.670 120.272 -2.602 25856 2878 1 8 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.640 -0.132 25856 2879 1 8 . 1 1 35 35 HIS C C 35 174.787 174.787 175.137 -0.350 25856 2880 1 8 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.647 -0.218 25856 2881 1 8 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.648 -0.470 25856 2882 1 8 . 1 1 35 35 HIS H H 35 7.751 7.751 8.402 -0.651 25856 2883 1 8 . 1 1 36 36 VAL N N 36 119.236 119.236 121.221 -1.985 25856 2884 1 8 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.042 0.360 25856 2885 1 8 . 1 1 36 36 VAL C C 36 175.551 175.551 175.760 -0.209 25856 2886 1 8 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.251 1.082 25856 2887 1 8 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.434 0.955 25856 2888 1 8 . 1 1 36 36 VAL H H 36 9.217 9.217 7.614 1.603 25856 2889 1 8 . 1 1 37 37 SER N N 37 119.884 119.884 118.953 0.931 25856 2890 1 8 . 1 1 37 37 SER HA H 37 4.425 4.425 4.425 -0.000 25856 2891 1 8 . 1 1 37 37 SER C C 37 175.003 175.003 176.057 -1.054 25856 2892 1 8 . 1 1 37 37 SER CA C 37 57.971 57.971 58.399 -0.428 25856 2893 1 8 . 1 1 37 37 SER CB C 37 64.761 64.761 64.532 0.229 25856 2894 1 8 . 1 1 37 37 SER H H 37 8.375 8.375 8.232 0.143 25856 2895 1 8 . 1 1 38 38 GLY N N 38 122.166 122.166 108.628 13.538 25856 2896 1 8 . 1 1 38 38 GLY C C 38 175.253 175.253 175.902 -0.649 25856 2897 1 8 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.656 0.099 25856 2898 1 8 . 1 1 38 38 GLY H H 38 8.822 8.822 8.953 -0.131 25856 2899 1 8 . 1 1 39 39 LYS N N 39 120.070 120.070 120.388 -0.318 25856 2900 1 8 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.002 0.055 25856 2901 1 8 . 1 1 39 39 LYS C C 39 177.734 177.734 178.059 -0.325 25856 2902 1 8 . 1 1 39 39 LYS CA C 39 58.036 58.036 59.251 -1.215 25856 2903 1 8 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.335 0.653 25856 2904 1 8 . 1 1 39 39 LYS H H 39 8.135 8.135 8.004 0.131 25856 2905 1 8 . 1 1 40 40 ILE N N 40 117.925 117.925 118.785 -0.860 25856 2906 1 8 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.910 0.120 25856 2907 1 8 . 1 1 40 40 ILE C C 40 176.736 176.736 177.820 -1.084 25856 2908 1 8 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.441 -1.684 25856 2909 1 8 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.179 -0.377 25856 2910 1 8 . 1 1 40 40 ILE H H 40 7.416 7.416 7.678 -0.262 25856 2911 1 8 . 1 1 41 41 ARG N N 41 122.141 122.141 120.921 1.220 25856 2912 1 8 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.106 -0.000 25856 2913 1 8 . 1 1 41 41 ARG C C 41 177.543 177.543 178.443 -0.900 25856 2914 1 8 . 1 1 41 41 ARG CA C 41 58.036 58.036 59.355 -1.319 25856 2915 1 8 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.205 -0.095 25856 2916 1 8 . 1 1 41 41 ARG H H 41 7.912 7.912 7.964 -0.052 25856 2917 1 8 . 1 1 42 42 MET N N 42 118.223 118.223 117.666 0.557 25856 2918 1 8 . 1 1 42 42 MET HA H 42 4.281 4.281 4.427 -0.146 25856 2919 1 8 . 1 1 42 42 MET C C 42 175.862 175.862 177.607 -1.745 25856 2920 1 8 . 1 1 42 42 MET CA C 42 56.299 56.299 57.167 -0.868 25856 2921 1 8 . 1 1 42 42 MET CB C 42 32.465 32.465 32.836 -0.371 25856 2922 1 8 . 1 1 42 42 MET H H 42 8.090 8.090 8.222 -0.132 25856 2923 1 8 . 1 1 43 43 ASN N N 43 117.020 117.020 114.750 2.270 25856 2924 1 8 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.648 -0.026 25856 2925 1 8 . 1 1 43 43 ASN C C 43 174.616 174.616 175.382 -0.766 25856 2926 1 8 . 1 1 43 43 ASN CA C 43 53.276 53.276 54.410 -1.134 25856 2927 1 8 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.188 -0.357 25856 2928 1 8 . 1 1 43 43 ASN H H 43 7.843 7.843 7.778 0.065 25856 2929 1 8 . 1 1 44 44 TYR N N 44 117.998 117.998 115.955 2.043 25856 2930 1 8 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.170 0.177 25856 2931 1 8 . 1 1 44 44 TYR C C 44 175.211 175.211 174.567 0.644 25856 2932 1 8 . 1 1 44 44 TYR CA C 44 58.652 58.652 59.086 -0.434 25856 2933 1 8 . 1 1 44 44 TYR CB C 44 37.603 37.603 36.299 1.304 25856 2934 1 8 . 1 1 44 44 TYR H H 44 7.712 7.712 7.745 -0.033 25856 2935 1 8 . 1 1 45 45 ILE N N 45 120.711 120.711 115.983 4.728 25856 2936 1 8 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.129 -0.186 25856 2937 1 8 . 1 1 45 45 ILE C C 45 173.895 173.895 175.109 -1.214 25856 2938 1 8 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.611 0.643 25856 2939 1 8 . 1 1 45 45 ILE CB C 45 38.574 38.574 36.128 2.446 25856 2940 1 8 . 1 1 45 45 ILE H H 45 7.466 7.466 7.426 0.040 25856 2941 1 8 . 1 1 46 46 ARG N N 46 124.912 124.912 127.421 -2.509 25856 2942 1 8 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.325 0.059 25856 2943 1 8 . 1 1 46 46 ARG C C 46 174.759 174.759 175.457 -0.698 25856 2944 1 8 . 1 1 46 46 ARG CA C 46 55.534 55.534 56.001 -0.467 25856 2945 1 8 . 1 1 46 46 ARG CB C 46 30.762 30.762 31.270 -0.508 25856 2946 1 8 . 1 1 46 46 ARG H H 46 8.077 8.077 7.686 0.391 25856 2947 1 8 . 1 1 47 47 ILE N N 47 125.326 125.326 125.314 0.012 25856 2948 1 8 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.094 -0.070 25856 2949 1 8 . 1 1 47 47 ILE C C 47 173.922 173.922 175.384 -1.462 25856 2950 1 8 . 1 1 47 47 ILE CA C 47 60.862 60.862 61.074 -0.212 25856 2951 1 8 . 1 1 47 47 ILE CB C 47 37.726 37.726 38.615 -0.889 25856 2952 1 8 . 1 1 47 47 ILE H H 47 7.966 7.966 8.614 -0.648 25856 2953 1 8 . 1 1 48 48 LEU N N 48 128.989 128.989 128.365 0.624 25856 2954 1 8 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.608 0.256 25856 2955 1 8 . 1 1 48 48 LEU C C 48 174.217 174.217 175.111 -0.894 25856 2956 1 8 . 1 1 48 48 LEU CA C 48 51.715 51.715 52.413 -0.697 25856 2957 1 8 . 1 1 48 48 LEU CB C 48 43.523 43.523 41.870 1.653 25856 2958 1 8 . 1 1 48 48 LEU H H 48 8.765 8.765 8.587 0.178 25856 2959 1 8 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.430 -0.572 25856 2960 1 8 . 1 1 49 49 PRO C C 49 176.960 176.960 177.756 -0.796 25856 2961 1 8 . 1 1 49 49 PRO CA C 49 63.941 63.941 63.898 0.043 25856 2962 1 8 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.578 -0.322 25856 2963 1 8 . 1 1 50 50 GLY N N 50 114.638 114.638 114.608 0.030 25856 2964 1 8 . 1 1 50 50 GLY C C 50 174.448 174.448 174.290 0.158 25856 2965 1 8 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.770 -0.063 25856 2966 1 8 . 1 1 50 50 GLY H H 50 9.317 9.317 9.164 0.153 25856 2967 1 8 . 1 1 51 51 ASP N N 51 121.882 121.882 122.943 -1.061 25856 2968 1 8 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.813 -0.280 25856 2969 1 8 . 1 1 51 51 ASP C C 51 175.327 175.327 175.309 0.018 25856 2970 1 8 . 1 1 51 51 ASP CA C 51 55.393 55.393 53.621 1.772 25856 2971 1 8 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.409 -1.212 25856 2972 1 8 . 1 1 51 51 ASP H H 51 8.099 8.099 8.153 -0.054 25856 2973 1 8 . 1 1 52 52 LYS N N 52 121.338 121.338 119.744 1.594 25856 2974 1 8 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.578 -0.491 25856 2975 1 8 . 1 1 52 52 LYS C C 52 176.315 176.315 176.976 -0.661 25856 2976 1 8 . 1 1 52 52 LYS CA C 52 54.652 54.652 54.900 -0.248 25856 2977 1 8 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.354 -1.757 25856 2978 1 8 . 1 1 52 52 LYS H H 52 8.410 8.410 8.301 0.109 25856 2979 1 8 . 1 1 53 53 VAL N N 53 114.761 114.761 117.408 -2.647 25856 2980 1 8 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.765 0.485 25856 2981 1 8 . 1 1 53 53 VAL C C 53 174.278 174.278 174.551 -0.273 25856 2982 1 8 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.195 -1.215 25856 2983 1 8 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.255 1.007 25856 2984 1 8 . 1 1 53 53 VAL H H 53 8.693 8.693 9.029 -0.336 25856 2985 1 8 . 1 1 54 54 THR N N 54 117.231 117.231 118.965 -1.734 25856 2986 1 8 . 1 1 54 54 THR HA H 54 4.837 4.837 5.100 -0.263 25856 2987 1 8 . 1 1 54 54 THR C C 54 173.923 173.923 173.350 0.573 25856 2988 1 8 . 1 1 54 54 THR CA C 54 62.448 62.448 62.462 -0.014 25856 2989 1 8 . 1 1 54 54 THR CB C 54 69.891 69.891 69.167 0.724 25856 2990 1 8 . 1 1 54 54 THR H H 54 8.296 8.296 8.706 -0.410 25856 2991 1 8 . 1 1 55 55 VAL N N 55 124.203 124.203 128.271 -4.068 25856 2992 1 8 . 1 1 55 55 VAL HA H 55 4.832 4.832 5.345 -0.513 25856 2993 1 8 . 1 1 55 55 VAL C C 55 174.106 174.106 173.828 0.278 25856 2994 1 8 . 1 1 55 55 VAL CA C 55 59.551 59.551 58.983 0.568 25856 2995 1 8 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.366 -0.790 25856 2996 1 8 . 1 1 55 55 VAL H H 55 9.331 9.331 9.240 0.091 25856 2997 1 8 . 1 1 56 56 GLU N N 56 123.984 123.984 128.644 -4.660 25856 2998 1 8 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.426 -0.206 25856 2999 1 8 . 1 1 56 56 GLU C C 56 176.645 176.645 175.341 1.304 25856 3000 1 8 . 1 1 56 56 GLU CA C 56 54.402 54.402 54.310 0.092 25856 3001 1 8 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.678 2.022 25856 3002 1 8 . 1 1 56 56 GLU H H 56 9.143 9.143 8.472 0.671 25856 3003 1 8 . 1 1 57 57 MET N N 57 123.465 123.465 119.829 3.636 25856 3004 1 8 . 1 1 57 57 MET HA H 57 4.795 4.795 4.986 -0.191 25856 3005 1 8 . 1 1 57 57 MET C C 57 174.899 174.899 174.662 0.237 25856 3006 1 8 . 1 1 57 57 MET CA C 57 54.339 54.339 54.441 -0.101 25856 3007 1 8 . 1 1 57 57 MET CB C 57 36.252 36.252 36.803 -0.551 25856 3008 1 8 . 1 1 57 57 MET H H 57 9.173 9.173 9.308 -0.135 25856 3009 1 8 . 1 1 58 58 SER N N 58 117.390 117.390 115.655 1.735 25856 3010 1 8 . 1 1 58 58 SER HA H 58 5.039 5.039 4.924 0.115 25856 3011 1 8 . 1 1 58 58 SER C C 58 174.693 174.693 174.500 0.193 25856 3012 1 8 . 1 1 58 58 SER CA C 58 54.932 54.932 56.001 -1.069 25856 3013 1 8 . 1 1 58 58 SER CB C 58 64.587 64.587 63.168 1.419 25856 3014 1 8 . 1 1 58 58 SER H H 58 9.184 9.184 8.911 0.273 25856 3015 1 8 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.374 -0.268 25856 3016 1 8 . 1 1 59 59 PRO C C 59 176.290 176.290 176.653 -0.363 25856 3017 1 8 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.743 -0.890 25856 3018 1 8 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.621 0.145 25856 3019 1 8 . 1 1 60 60 TYR N N 60 113.938 113.938 116.998 -3.060 25856 3020 1 8 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.481 0.008 25856 3021 1 8 . 1 1 60 60 TYR C C 60 175.439 175.439 175.277 0.162 25856 3022 1 8 . 1 1 60 60 TYR CA C 60 57.342 57.342 58.843 -1.501 25856 3023 1 8 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.067 -0.774 25856 3024 1 8 . 1 1 60 60 TYR H H 60 7.307 7.307 8.078 -0.771 25856 3025 1 8 . 1 1 61 61 ASP N N 61 118.283 118.283 119.183 -0.900 25856 3026 1 8 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.578 0.189 25856 3027 1 8 . 1 1 61 61 ASP C C 61 174.996 174.996 175.847 -0.851 25856 3028 1 8 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.974 -1.132 25856 3029 1 8 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.086 -0.664 25856 3030 1 8 . 1 1 61 61 ASP H H 61 7.418 7.418 7.515 -0.097 25856 3031 1 8 . 1 1 62 62 LEU N N 62 124.044 124.044 117.994 6.050 25856 3032 1 8 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.904 0.583 25856 3033 1 8 . 1 1 62 62 LEU C C 62 177.109 177.109 175.116 1.993 25856 3034 1 8 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.010 0.220 25856 3035 1 8 . 1 1 62 62 LEU CB C 62 40.930 40.930 41.136 -0.206 25856 3036 1 8 . 1 1 62 62 LEU H H 62 8.743 8.743 7.794 0.949 25856 3037 1 8 . 1 1 63 63 THR N N 63 107.624 107.624 108.992 -1.368 25856 3038 1 8 . 1 1 63 63 THR HA H 63 4.608 4.608 4.361 0.247 25856 3039 1 8 . 1 1 63 63 THR C C 63 174.873 174.873 173.075 1.798 25856 3040 1 8 . 1 1 63 63 THR CA C 63 62.686 62.686 61.238 1.448 25856 3041 1 8 . 1 1 63 63 THR CB C 63 70.393 70.393 69.880 0.513 25856 3042 1 8 . 1 1 63 63 THR H H 63 8.415 8.415 7.962 0.453 25856 3043 1 8 . 1 1 64 64 ARG N N 64 120.138 120.138 119.826 0.312 25856 3044 1 8 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.393 0.226 25856 3045 1 8 . 1 1 64 64 ARG C C 64 174.858 174.858 174.151 0.707 25856 3046 1 8 . 1 1 64 64 ARG CA C 64 54.218 54.218 54.270 -0.052 25856 3047 1 8 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.499 1.027 25856 3048 1 8 . 1 1 64 64 ARG H H 64 7.200 7.200 7.561 -0.361 25856 3049 1 8 . 1 1 65 65 GLY N N 65 106.034 106.034 109.238 -3.204 25856 3050 1 8 . 1 1 65 65 GLY C C 65 171.075 171.075 171.849 -0.774 25856 3051 1 8 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.552 -0.199 25856 3052 1 8 . 1 1 65 65 GLY H H 65 8.618 8.618 7.865 0.753 25856 3053 1 8 . 1 1 66 66 ARG N N 66 118.635 118.635 118.887 -0.252 25856 3054 1 8 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.499 -0.513 25856 3055 1 8 . 1 1 66 66 ARG C C 66 175.345 175.345 174.254 1.091 25856 3056 1 8 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.062 -0.370 25856 3057 1 8 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.964 -1.553 25856 3058 1 8 . 1 1 66 66 ARG H H 66 8.621 8.621 8.331 0.290 25856 3059 1 8 . 1 1 67 67 ILE N N 67 125.220 125.220 123.958 1.262 25856 3060 1 8 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.940 -0.538 25856 3061 1 8 . 1 1 67 67 ILE C C 67 176.084 176.084 176.127 -0.043 25856 3062 1 8 . 1 1 67 67 ILE CA C 67 62.299 62.299 59.976 2.323 25856 3063 1 8 . 1 1 67 67 ILE CB C 67 39.359 39.359 38.602 0.757 25856 3064 1 8 . 1 1 67 67 ILE H H 67 9.083 9.083 8.744 0.339 25856 3065 1 8 . 1 1 68 68 THR N N 68 117.584 117.584 120.730 -3.146 25856 3066 1 8 . 1 1 68 68 THR HA H 68 4.435 4.435 4.509 -0.074 25856 3067 1 8 . 1 1 68 68 THR C C 68 174.406 174.406 174.002 0.404 25856 3068 1 8 . 1 1 68 68 THR CA C 68 61.164 61.164 61.449 -0.285 25856 3069 1 8 . 1 1 68 68 THR CB C 68 69.514 69.514 70.601 -1.087 25856 3070 1 8 . 1 1 68 68 THR H H 68 8.691 8.691 8.433 0.258 25856 3071 1 8 . 1 1 69 69 TYR N N 69 120.904 120.904 119.970 0.934 25856 3072 1 8 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.894 -0.541 25856 3073 1 8 . 1 1 69 69 TYR C C 69 172.657 172.657 174.115 -1.458 25856 3074 1 8 . 1 1 69 69 TYR CA C 69 58.734 58.734 56.990 1.744 25856 3075 1 8 . 1 1 69 69 TYR CB C 69 41.431 41.431 42.862 -1.431 25856 3076 1 8 . 1 1 69 69 TYR H H 69 7.479 7.479 7.403 0.076 25856 3077 1 8 . 1 1 70 70 ARG N N 70 125.781 125.781 119.970 5.811 25856 3078 1 8 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.789 -0.098 25856 3079 1 8 . 1 1 70 70 ARG C C 70 174.016 174.016 174.576 -0.560 25856 3080 1 8 . 1 1 70 70 ARG CA C 70 54.661 54.661 55.140 -0.479 25856 3081 1 8 . 1 1 70 70 ARG CB C 70 31.816 31.816 32.306 -0.490 25856 3082 1 8 . 1 1 70 70 ARG H H 70 7.439 7.439 8.681 -1.242 25856 3083 1 8 . 1 1 71 71 TYR N N 71 124.942 124.942 126.183 -1.241 25856 3084 1 8 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.573 -0.322 25856 3085 1 8 . 1 1 71 71 TYR C C 71 175.278 175.278 174.629 0.649 25856 3086 1 8 . 1 1 71 71 TYR CA C 71 58.445 58.445 57.724 0.721 25856 3087 1 8 . 1 1 71 71 TYR CB C 71 38.803 38.803 41.600 -2.797 25856 3088 1 8 . 1 1 71 71 TYR H H 71 8.478 8.478 8.697 -0.219 25856 3089 1 9 . 1 1 5 5 ASP N N 5 121.636 121.636 119.601 2.035 25856 3090 1 9 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.548 0.033 25856 3091 1 9 . 1 1 5 5 ASP C C 5 175.317 175.317 176.211 -0.894 25856 3092 1 9 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.678 -0.991 25856 3093 1 9 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.096 0.164 25856 3094 1 9 . 1 1 5 5 ASP H H 5 8.370 8.370 8.302 0.068 25856 3095 1 9 . 1 1 6 6 VAL N N 6 116.054 116.054 118.334 -2.280 25856 3096 1 9 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.200 0.355 25856 3097 1 9 . 1 1 6 6 VAL C C 6 174.969 174.969 174.942 0.027 25856 3098 1 9 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.296 0.653 25856 3099 1 9 . 1 1 6 6 VAL CB C 6 35.032 35.032 35.158 -0.126 25856 3100 1 9 . 1 1 6 6 VAL H H 6 7.702 7.702 7.455 0.247 25856 3101 1 9 . 1 1 7 7 ILE N N 7 123.240 123.240 125.013 -1.773 25856 3102 1 9 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.375 0.007 25856 3103 1 9 . 1 1 7 7 ILE C C 7 174.177 174.177 175.157 -0.980 25856 3104 1 9 . 1 1 7 7 ILE CA C 7 60.100 60.100 58.255 1.845 25856 3105 1 9 . 1 1 7 7 ILE CB C 7 40.712 40.712 39.116 1.596 25856 3106 1 9 . 1 1 7 7 ILE H H 7 8.748 8.748 9.129 -0.381 25856 3107 1 9 . 1 1 8 8 GLU N N 8 124.266 124.266 127.144 -2.878 25856 3108 1 9 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.038 0.312 25856 3109 1 9 . 1 1 8 8 GLU C C 8 175.592 175.592 175.407 0.185 25856 3110 1 9 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.657 -0.933 25856 3111 1 9 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.746 2.764 25856 3112 1 9 . 1 1 8 8 GLU H H 8 8.236 8.236 8.680 -0.444 25856 3113 1 9 . 1 1 9 9 LEU N N 9 125.462 125.462 125.790 -0.328 25856 3114 1 9 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.824 -0.047 25856 3115 1 9 . 1 1 9 9 LEU C C 9 174.654 174.654 175.721 -1.067 25856 3116 1 9 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.432 0.440 25856 3117 1 9 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.580 0.593 25856 3118 1 9 . 1 1 9 9 LEU H H 9 8.947 8.947 9.061 -0.114 25856 3119 1 9 . 1 1 10 10 GLU N N 10 119.884 119.884 118.182 1.702 25856 3120 1 9 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.444 -0.268 25856 3121 1 9 . 1 1 10 10 GLU C C 10 176.424 176.424 175.908 0.516 25856 3122 1 9 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.477 0.795 25856 3123 1 9 . 1 1 10 10 GLU CB C 10 31.815 31.815 33.574 -1.759 25856 3124 1 9 . 1 1 10 10 GLU H H 10 8.697 8.697 8.565 0.132 25856 3125 1 9 . 1 1 11 11 GLY N N 11 107.302 107.302 107.024 0.278 25856 3126 1 9 . 1 1 11 11 GLY C C 11 171.493 171.493 172.154 -0.661 25856 3127 1 9 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.422 0.260 25856 3128 1 9 . 1 1 11 11 GLY H H 11 8.896 8.896 8.687 0.209 25856 3129 1 9 . 1 1 12 12 THR N N 12 115.723 115.723 116.211 -0.488 25856 3130 1 9 . 1 1 12 12 THR HA H 12 5.057 5.057 5.247 -0.190 25856 3131 1 9 . 1 1 12 12 THR C C 12 174.347 174.347 173.633 0.714 25856 3132 1 9 . 1 1 12 12 THR CA C 12 61.226 61.226 61.927 -0.701 25856 3133 1 9 . 1 1 12 12 THR CB C 12 71.245 71.245 71.232 0.013 25856 3134 1 9 . 1 1 12 12 THR H H 12 8.551 8.551 8.895 -0.344 25856 3135 1 9 . 1 1 13 13 VAL N N 13 127.141 127.141 127.323 -0.182 25856 3136 1 9 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.478 -0.678 25856 3137 1 9 . 1 1 13 13 VAL C C 13 175.760 175.760 174.277 1.483 25856 3138 1 9 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.054 3.464 25856 3139 1 9 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.019 -1.464 25856 3140 1 9 . 1 1 13 13 VAL H H 13 9.135 9.135 8.479 0.656 25856 3141 1 9 . 1 1 14 14 LEU N N 14 129.942 129.942 129.337 0.605 25856 3142 1 9 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.578 -0.028 25856 3143 1 9 . 1 1 14 14 LEU C C 14 176.277 176.277 177.094 -0.817 25856 3144 1 9 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.736 -0.061 25856 3145 1 9 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.825 1.179 25856 3146 1 9 . 1 1 14 14 LEU H H 14 9.536 9.536 8.564 0.972 25856 3147 1 9 . 1 1 15 15 ASP N N 15 113.621 113.621 118.813 -5.192 25856 3148 1 9 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.008 -0.030 25856 3149 1 9 . 1 1 15 15 ASP C C 15 174.864 174.864 174.847 0.017 25856 3150 1 9 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.422 -0.105 25856 3151 1 9 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.170 0.600 25856 3152 1 9 . 1 1 15 15 ASP H H 15 7.609 7.609 7.667 -0.058 25856 3153 1 9 . 1 1 16 16 THR N N 16 115.901 115.901 113.613 2.288 25856 3154 1 9 . 1 1 16 16 THR HA H 16 4.298 4.298 4.532 -0.234 25856 3155 1 9 . 1 1 16 16 THR C C 16 172.704 172.704 173.905 -1.201 25856 3156 1 9 . 1 1 16 16 THR CA C 16 60.251 60.251 61.833 -1.582 25856 3157 1 9 . 1 1 16 16 THR CB C 16 69.494 69.494 69.264 0.230 25856 3158 1 9 . 1 1 16 16 THR H H 16 8.841 8.841 8.347 0.494 25856 3159 1 9 . 1 1 17 17 LEU N N 17 125.747 125.747 125.444 0.303 25856 3160 1 9 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.830 -0.147 25856 3161 1 9 . 1 1 17 17 LEU C C 17 174.509 174.509 175.377 -0.868 25856 3162 1 9 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.176 1.618 25856 3163 1 9 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.962 -0.381 25856 3164 1 9 . 1 1 17 17 LEU H H 17 7.913 7.913 7.837 0.076 25856 3165 1 9 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.268 0.056 25856 3166 1 9 . 1 1 18 18 PRO C C 18 175.973 175.973 176.336 -0.363 25856 3167 1 9 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.261 -0.112 25856 3168 1 9 . 1 1 18 18 PRO CB C 18 32.228 32.228 31.991 0.237 25856 3169 1 9 . 1 1 19 19 ASN N N 19 115.147 115.147 117.526 -2.379 25856 3170 1 9 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.373 -0.142 25856 3171 1 9 . 1 1 19 19 ASN C C 19 174.180 174.180 174.594 -0.414 25856 3172 1 9 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.440 0.659 25856 3173 1 9 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.456 -0.546 25856 3174 1 9 . 1 1 19 19 ASN H H 19 8.598 8.598 8.787 -0.189 25856 3175 1 9 . 1 1 20 20 ALA N N 20 116.191 116.191 114.329 1.862 25856 3176 1 9 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.612 0.189 25856 3177 1 9 . 1 1 20 20 ALA C C 20 174.990 174.990 175.215 -0.225 25856 3178 1 9 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.968 -0.012 25856 3179 1 9 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.824 -1.281 25856 3180 1 9 . 1 1 20 20 ALA H H 20 8.335 8.335 8.212 0.123 25856 3181 1 9 . 1 1 21 21 MET N N 21 113.560 113.560 116.410 -2.850 25856 3182 1 9 . 1 1 21 21 MET HA H 21 5.124 5.124 5.380 -0.256 25856 3183 1 9 . 1 1 21 21 MET C C 21 175.205 175.205 174.317 0.888 25856 3184 1 9 . 1 1 21 21 MET CA C 21 54.597 54.597 54.032 0.565 25856 3185 1 9 . 1 1 21 21 MET CB C 21 35.150 35.150 36.106 -0.956 25856 3186 1 9 . 1 1 21 21 MET H H 21 6.302 6.302 7.040 -0.738 25856 3187 1 9 . 1 1 22 22 PHE N N 22 117.199 117.199 118.914 -1.715 25856 3188 1 9 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.904 0.014 25856 3189 1 9 . 1 1 22 22 PHE C C 22 174.697 174.697 173.881 0.816 25856 3190 1 9 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.126 0.006 25856 3191 1 9 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.913 -0.779 25856 3192 1 9 . 1 1 22 22 PHE H H 22 9.007 9.007 9.326 -0.319 25856 3193 1 9 . 1 1 23 23 LYS N N 23 122.934 122.934 123.727 -0.793 25856 3194 1 9 . 1 1 23 23 LYS HA H 23 5.117 5.117 5.044 0.073 25856 3195 1 9 . 1 1 23 23 LYS C C 23 175.853 175.853 175.066 0.787 25856 3196 1 9 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.668 -0.072 25856 3197 1 9 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.553 0.469 25856 3198 1 9 . 1 1 23 23 LYS H H 23 8.340 8.340 8.785 -0.445 25856 3199 1 9 . 1 1 24 24 VAL N N 24 128.487 128.487 126.535 1.952 25856 3200 1 9 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.426 0.215 25856 3201 1 9 . 1 1 24 24 VAL C C 24 173.199 173.199 174.168 -0.969 25856 3202 1 9 . 1 1 24 24 VAL CA C 24 60.705 60.705 61.461 -0.756 25856 3203 1 9 . 1 1 24 24 VAL CB C 24 35.609 35.609 33.786 1.823 25856 3204 1 9 . 1 1 24 24 VAL H H 24 9.123 9.123 9.216 -0.093 25856 3205 1 9 . 1 1 25 25 GLU N N 25 127.440 127.440 127.596 -0.156 25856 3206 1 9 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.004 -0.291 25856 3207 1 9 . 1 1 25 25 GLU C C 25 176.358 176.358 175.997 0.361 25856 3208 1 9 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.397 0.511 25856 3209 1 9 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.985 -0.346 25856 3210 1 9 . 1 1 25 25 GLU H H 25 9.017 9.017 9.193 -0.176 25856 3211 1 9 . 1 1 26 26 LEU N N 26 128.629 128.629 128.204 0.425 25856 3212 1 9 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.286 0.518 25856 3213 1 9 . 1 1 26 26 LEU C C 26 179.339 179.339 178.644 0.695 25856 3214 1 9 . 1 1 26 26 LEU CA C 26 54.822 54.822 56.044 -1.222 25856 3215 1 9 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.155 1.413 25856 3216 1 9 . 1 1 26 26 LEU H H 26 9.101 9.101 9.137 -0.036 25856 3217 1 9 . 1 1 27 27 GLU N N 27 119.613 119.613 123.986 -4.373 25856 3218 1 9 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.092 0.070 25856 3219 1 9 . 1 1 27 27 GLU C C 27 175.724 175.724 177.147 -1.423 25856 3220 1 9 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.644 -0.255 25856 3221 1 9 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.346 0.336 25856 3222 1 9 . 1 1 27 27 GLU H H 27 8.794 8.794 8.499 0.295 25856 3223 1 9 . 1 1 28 28 ASN N N 28 114.625 114.625 117.087 -2.462 25856 3224 1 9 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.730 -0.119 25856 3225 1 9 . 1 1 28 28 ASN C C 28 176.299 176.299 175.818 0.481 25856 3226 1 9 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.112 -0.631 25856 3227 1 9 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.953 -1.247 25856 3228 1 9 . 1 1 28 28 ASN H H 28 7.183 7.183 7.938 -0.755 25856 3229 1 9 . 1 1 29 29 GLY N N 29 107.903 107.903 107.197 0.706 25856 3230 1 9 . 1 1 29 29 GLY C C 29 174.243 174.243 173.442 0.801 25856 3231 1 9 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.247 0.060 25856 3232 1 9 . 1 1 29 29 GLY H H 29 6.899 6.899 8.113 -1.214 25856 3233 1 9 . 1 1 30 30 HIS N N 30 118.953 118.953 121.000 -2.047 25856 3234 1 9 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.796 -0.132 25856 3235 1 9 . 1 1 30 30 HIS C C 30 173.476 173.476 173.497 -0.021 25856 3236 1 9 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.282 0.665 25856 3237 1 9 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.259 -1.098 25856 3238 1 9 . 1 1 30 30 HIS H H 30 7.739 7.739 7.993 -0.254 25856 3239 1 9 . 1 1 31 31 GLU N N 31 123.512 123.512 125.428 -1.916 25856 3240 1 9 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.980 0.261 25856 3241 1 9 . 1 1 31 31 GLU C C 31 176.181 176.181 175.581 0.600 25856 3242 1 9 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.233 -0.145 25856 3243 1 9 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.834 1.050 25856 3244 1 9 . 1 1 31 31 GLU H H 31 8.495 8.495 8.697 -0.202 25856 3245 1 9 . 1 1 32 32 ILE N N 32 117.654 117.654 116.571 1.083 25856 3246 1 9 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.800 -0.086 25856 3247 1 9 . 1 1 32 32 ILE C C 32 174.438 174.438 173.957 0.481 25856 3248 1 9 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.194 -0.005 25856 3249 1 9 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.901 1.333 25856 3250 1 9 . 1 1 32 32 ILE H H 32 9.005 9.005 9.019 -0.014 25856 3251 1 9 . 1 1 33 33 LEU N N 33 122.166 122.166 122.949 -0.783 25856 3252 1 9 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.382 -0.165 25856 3253 1 9 . 1 1 33 33 LEU C C 33 176.190 176.190 176.251 -0.061 25856 3254 1 9 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.505 0.338 25856 3255 1 9 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.770 0.988 25856 3256 1 9 . 1 1 33 33 LEU H H 33 7.713 7.713 7.944 -0.231 25856 3257 1 9 . 1 1 34 34 ALA N N 34 125.096 125.096 125.914 -0.818 25856 3258 1 9 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.215 0.277 25856 3259 1 9 . 1 1 34 34 ALA C C 34 175.700 175.700 175.096 0.604 25856 3260 1 9 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.371 -0.114 25856 3261 1 9 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.226 -0.075 25856 3262 1 9 . 1 1 34 34 ALA H H 34 9.442 9.442 9.160 0.282 25856 3263 1 9 . 1 1 35 35 HIS N N 35 117.670 117.670 119.798 -2.128 25856 3264 1 9 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.519 -0.011 25856 3265 1 9 . 1 1 35 35 HIS C C 35 174.787 174.787 175.679 -0.892 25856 3266 1 9 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.730 -0.301 25856 3267 1 9 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.352 -0.173 25856 3268 1 9 . 1 1 35 35 HIS H H 35 7.751 7.751 8.790 -1.039 25856 3269 1 9 . 1 1 36 36 VAL N N 36 119.236 119.236 122.989 -3.753 25856 3270 1 9 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.631 -0.229 25856 3271 1 9 . 1 1 36 36 VAL C C 36 175.551 175.551 175.906 -0.355 25856 3272 1 9 . 1 1 36 36 VAL CA C 36 62.333 62.333 60.856 1.477 25856 3273 1 9 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.717 0.672 25856 3274 1 9 . 1 1 36 36 VAL H H 36 9.217 9.217 7.942 1.275 25856 3275 1 9 . 1 1 37 37 SER N N 37 119.884 119.884 119.555 0.329 25856 3276 1 9 . 1 1 37 37 SER HA H 37 4.425 4.425 4.458 -0.033 25856 3277 1 9 . 1 1 37 37 SER C C 37 175.003 175.003 176.308 -1.305 25856 3278 1 9 . 1 1 37 37 SER CA C 37 57.971 57.971 58.346 -0.375 25856 3279 1 9 . 1 1 37 37 SER CB C 37 64.761 64.761 64.044 0.717 25856 3280 1 9 . 1 1 37 37 SER H H 37 8.375 8.375 8.804 -0.429 25856 3281 1 9 . 1 1 38 38 GLY N N 38 122.166 122.166 109.507 12.659 25856 3282 1 9 . 1 1 38 38 GLY C C 38 175.253 175.253 175.992 -0.739 25856 3283 1 9 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.765 -0.010 25856 3284 1 9 . 1 1 38 38 GLY H H 38 8.822 8.822 8.987 -0.165 25856 3285 1 9 . 1 1 39 39 LYS N N 39 120.070 120.070 121.354 -1.284 25856 3286 1 9 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.061 -0.004 25856 3287 1 9 . 1 1 39 39 LYS C C 39 177.734 177.734 178.584 -0.850 25856 3288 1 9 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.948 -0.912 25856 3289 1 9 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.428 0.560 25856 3290 1 9 . 1 1 39 39 LYS H H 39 8.135 8.135 7.454 0.681 25856 3291 1 9 . 1 1 40 40 ILE N N 40 117.925 117.925 118.259 -0.334 25856 3292 1 9 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.913 0.117 25856 3293 1 9 . 1 1 40 40 ILE C C 40 176.736 176.736 177.266 -0.530 25856 3294 1 9 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.412 -1.655 25856 3295 1 9 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.060 -0.259 25856 3296 1 9 . 1 1 40 40 ILE H H 40 7.416 7.416 7.912 -0.496 25856 3297 1 9 . 1 1 41 41 ARG N N 41 122.141 122.141 120.869 1.272 25856 3298 1 9 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.200 -0.094 25856 3299 1 9 . 1 1 41 41 ARG C C 41 177.543 177.543 177.823 -0.280 25856 3300 1 9 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.589 -0.553 25856 3301 1 9 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.848 -0.737 25856 3302 1 9 . 1 1 41 41 ARG H H 41 7.912 7.912 7.422 0.490 25856 3303 1 9 . 1 1 42 42 MET N N 42 118.223 118.223 115.204 3.019 25856 3304 1 9 . 1 1 42 42 MET HA H 42 4.281 4.281 4.450 -0.169 25856 3305 1 9 . 1 1 42 42 MET C C 42 175.862 175.862 176.656 -0.794 25856 3306 1 9 . 1 1 42 42 MET CA C 42 56.299 56.299 57.283 -0.984 25856 3307 1 9 . 1 1 42 42 MET CB C 42 32.465 32.465 33.164 -0.699 25856 3308 1 9 . 1 1 42 42 MET H H 42 8.090 8.090 8.188 -0.098 25856 3309 1 9 . 1 1 43 43 ASN N N 43 117.020 117.020 117.345 -0.325 25856 3310 1 9 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.771 -0.149 25856 3311 1 9 . 1 1 43 43 ASN C C 43 174.616 174.616 174.283 0.333 25856 3312 1 9 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.053 1.223 25856 3313 1 9 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.865 -2.034 25856 3314 1 9 . 1 1 43 43 ASN H H 43 7.843 7.843 7.545 0.298 25856 3315 1 9 . 1 1 44 44 TYR N N 44 117.998 117.998 114.478 3.520 25856 3316 1 9 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.649 -0.302 25856 3317 1 9 . 1 1 44 44 TYR C C 44 175.211 175.211 177.002 -1.791 25856 3318 1 9 . 1 1 44 44 TYR CA C 44 58.652 58.652 56.441 2.211 25856 3319 1 9 . 1 1 44 44 TYR CB C 44 37.603 37.603 37.875 -0.272 25856 3320 1 9 . 1 1 44 44 TYR H H 44 7.712 7.712 8.064 -0.352 25856 3321 1 9 . 1 1 45 45 ILE N N 45 120.711 120.711 118.401 2.310 25856 3322 1 9 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.284 -0.341 25856 3323 1 9 . 1 1 45 45 ILE C C 45 173.895 173.895 175.057 -1.162 25856 3324 1 9 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.017 1.237 25856 3325 1 9 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.606 2.968 25856 3326 1 9 . 1 1 45 45 ILE H H 45 7.466 7.466 7.833 -0.367 25856 3327 1 9 . 1 1 46 46 ARG N N 46 124.912 124.912 121.251 3.661 25856 3328 1 9 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.305 0.079 25856 3329 1 9 . 1 1 46 46 ARG C C 46 174.759 174.759 176.240 -1.481 25856 3330 1 9 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.792 -0.258 25856 3331 1 9 . 1 1 46 46 ARG CB C 46 30.762 30.762 30.916 -0.154 25856 3332 1 9 . 1 1 46 46 ARG H H 46 8.077 8.077 7.964 0.113 25856 3333 1 9 . 1 1 47 47 ILE N N 47 125.326 125.326 121.757 3.569 25856 3334 1 9 . 1 1 47 47 ILE HA H 47 4.024 4.024 3.931 0.093 25856 3335 1 9 . 1 1 47 47 ILE C C 47 173.922 173.922 175.047 -1.125 25856 3336 1 9 . 1 1 47 47 ILE CA C 47 60.862 60.862 59.819 1.042 25856 3337 1 9 . 1 1 47 47 ILE CB C 47 37.726 37.726 36.788 0.939 25856 3338 1 9 . 1 1 47 47 ILE H H 47 7.966 7.966 8.226 -0.260 25856 3339 1 9 . 1 1 48 48 LEU N N 48 128.989 128.989 128.104 0.885 25856 3340 1 9 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.907 -0.043 25856 3341 1 9 . 1 1 48 48 LEU C C 48 174.217 174.217 174.415 -0.198 25856 3342 1 9 . 1 1 48 48 LEU CA C 48 51.715 51.715 50.603 1.112 25856 3343 1 9 . 1 1 48 48 LEU CB C 48 43.523 43.523 45.312 -1.789 25856 3344 1 9 . 1 1 48 48 LEU H H 48 8.765 8.765 8.132 0.633 25856 3345 1 9 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.324 -0.466 25856 3346 1 9 . 1 1 49 49 PRO C C 49 176.960 176.960 177.287 -0.327 25856 3347 1 9 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.036 -0.095 25856 3348 1 9 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.655 -0.399 25856 3349 1 9 . 1 1 50 50 GLY N N 50 114.638 114.638 113.710 0.928 25856 3350 1 9 . 1 1 50 50 GLY C C 50 174.448 174.448 174.374 0.074 25856 3351 1 9 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.791 -0.084 25856 3352 1 9 . 1 1 50 50 GLY H H 50 9.317 9.317 9.200 0.117 25856 3353 1 9 . 1 1 51 51 ASP N N 51 121.882 121.882 120.496 1.386 25856 3354 1 9 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.812 -0.279 25856 3355 1 9 . 1 1 51 51 ASP C C 51 175.327 175.327 174.692 0.635 25856 3356 1 9 . 1 1 51 51 ASP CA C 51 55.393 55.393 53.543 1.850 25856 3357 1 9 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.287 -1.090 25856 3358 1 9 . 1 1 51 51 ASP H H 51 8.099 8.099 7.759 0.340 25856 3359 1 9 . 1 1 52 52 LYS N N 52 121.338 121.338 122.224 -0.886 25856 3360 1 9 . 1 1 52 52 LYS HA H 52 5.087 5.087 4.984 0.103 25856 3361 1 9 . 1 1 52 52 LYS C C 52 176.315 176.315 175.325 0.990 25856 3362 1 9 . 1 1 52 52 LYS CA C 52 54.652 54.652 54.615 0.036 25856 3363 1 9 . 1 1 52 52 LYS CB C 52 32.597 32.597 33.960 -1.363 25856 3364 1 9 . 1 1 52 52 LYS H H 52 8.410 8.410 8.273 0.137 25856 3365 1 9 . 1 1 53 53 VAL N N 53 114.761 114.761 120.762 -6.001 25856 3366 1 9 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.642 0.608 25856 3367 1 9 . 1 1 53 53 VAL C C 53 174.278 174.278 174.369 -0.091 25856 3368 1 9 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.318 -1.338 25856 3369 1 9 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.497 0.765 25856 3370 1 9 . 1 1 53 53 VAL H H 53 8.693 8.693 9.103 -0.410 25856 3371 1 9 . 1 1 54 54 THR N N 54 117.231 117.231 119.479 -2.248 25856 3372 1 9 . 1 1 54 54 THR HA H 54 4.837 4.837 4.708 0.129 25856 3373 1 9 . 1 1 54 54 THR C C 54 173.923 173.923 173.232 0.691 25856 3374 1 9 . 1 1 54 54 THR CA C 54 62.448 62.448 63.061 -0.613 25856 3375 1 9 . 1 1 54 54 THR CB C 54 69.891 69.891 69.416 0.475 25856 3376 1 9 . 1 1 54 54 THR H H 54 8.296 8.296 8.640 -0.344 25856 3377 1 9 . 1 1 55 55 VAL N N 55 124.203 124.203 128.132 -3.929 25856 3378 1 9 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.949 -0.117 25856 3379 1 9 . 1 1 55 55 VAL C C 55 174.106 174.106 173.522 0.584 25856 3380 1 9 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.502 0.049 25856 3381 1 9 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.603 -1.027 25856 3382 1 9 . 1 1 55 55 VAL H H 55 9.331 9.331 9.278 0.053 25856 3383 1 9 . 1 1 56 56 GLU N N 56 123.984 123.984 129.549 -5.565 25856 3384 1 9 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.030 0.190 25856 3385 1 9 . 1 1 56 56 GLU C C 56 176.645 176.645 175.812 0.833 25856 3386 1 9 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.409 -1.007 25856 3387 1 9 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.621 2.079 25856 3388 1 9 . 1 1 56 56 GLU H H 56 9.143 9.143 9.125 0.018 25856 3389 1 9 . 1 1 57 57 MET N N 57 123.465 123.465 121.446 2.019 25856 3390 1 9 . 1 1 57 57 MET HA H 57 4.795 4.795 5.007 -0.212 25856 3391 1 9 . 1 1 57 57 MET C C 57 174.899 174.899 174.606 0.293 25856 3392 1 9 . 1 1 57 57 MET CA C 57 54.339 54.339 54.266 0.073 25856 3393 1 9 . 1 1 57 57 MET CB C 57 36.252 36.252 37.120 -0.868 25856 3394 1 9 . 1 1 57 57 MET H H 57 9.173 9.173 9.271 -0.098 25856 3395 1 9 . 1 1 58 58 SER N N 58 117.390 117.390 117.445 -0.055 25856 3396 1 9 . 1 1 58 58 SER HA H 58 5.039 5.039 4.870 0.169 25856 3397 1 9 . 1 1 58 58 SER C C 58 174.693 174.693 174.887 -0.194 25856 3398 1 9 . 1 1 58 58 SER CA C 58 54.932 54.932 56.441 -1.509 25856 3399 1 9 . 1 1 58 58 SER CB C 58 64.587 64.587 63.020 1.567 25856 3400 1 9 . 1 1 58 58 SER H H 58 9.184 9.184 8.552 0.632 25856 3401 1 9 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.348 -0.242 25856 3402 1 9 . 1 1 59 59 PRO C C 59 176.290 176.290 176.570 -0.280 25856 3403 1 9 . 1 1 59 59 PRO CA C 59 63.853 63.853 65.018 -1.165 25856 3404 1 9 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.660 0.106 25856 3405 1 9 . 1 1 60 60 TYR N N 60 113.938 113.938 118.249 -4.311 25856 3406 1 9 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.470 0.019 25856 3407 1 9 . 1 1 60 60 TYR C C 60 175.439 175.439 175.617 -0.178 25856 3408 1 9 . 1 1 60 60 TYR CA C 60 57.342 57.342 58.492 -1.150 25856 3409 1 9 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.116 -0.823 25856 3410 1 9 . 1 1 60 60 TYR H H 60 7.307 7.307 7.891 -0.584 25856 3411 1 9 . 1 1 61 61 ASP N N 61 118.283 118.283 117.895 0.388 25856 3412 1 9 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.512 0.255 25856 3413 1 9 . 1 1 61 61 ASP C C 61 174.996 174.996 176.820 -1.824 25856 3414 1 9 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.646 -0.804 25856 3415 1 9 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.910 -1.488 25856 3416 1 9 . 1 1 61 61 ASP H H 61 7.418 7.418 7.961 -0.543 25856 3417 1 9 . 1 1 62 62 LEU N N 62 124.044 124.044 118.386 5.658 25856 3418 1 9 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.921 0.566 25856 3419 1 9 . 1 1 62 62 LEU C C 62 177.109 177.109 175.857 1.252 25856 3420 1 9 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.846 -0.616 25856 3421 1 9 . 1 1 62 62 LEU CB C 62 40.930 40.930 39.974 0.956 25856 3422 1 9 . 1 1 62 62 LEU H H 62 8.743 8.743 8.136 0.607 25856 3423 1 9 . 1 1 63 63 THR N N 63 107.624 107.624 110.590 -2.966 25856 3424 1 9 . 1 1 63 63 THR HA H 63 4.608 4.608 4.198 0.410 25856 3425 1 9 . 1 1 63 63 THR C C 63 174.873 174.873 173.509 1.364 25856 3426 1 9 . 1 1 63 63 THR CA C 63 62.686 62.686 63.088 -0.402 25856 3427 1 9 . 1 1 63 63 THR CB C 63 70.393 70.393 71.365 -0.972 25856 3428 1 9 . 1 1 63 63 THR H H 63 8.415 8.415 8.706 -0.291 25856 3429 1 9 . 1 1 64 64 ARG N N 64 120.138 120.138 122.647 -2.509 25856 3430 1 9 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.142 0.477 25856 3431 1 9 . 1 1 64 64 ARG C C 64 174.858 174.858 174.378 0.480 25856 3432 1 9 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.610 0.608 25856 3433 1 9 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.507 1.019 25856 3434 1 9 . 1 1 64 64 ARG H H 64 7.200 7.200 8.777 -1.577 25856 3435 1 9 . 1 1 65 65 GLY N N 65 106.034 106.034 109.617 -3.583 25856 3436 1 9 . 1 1 65 65 GLY C C 65 171.075 171.075 171.997 -0.922 25856 3437 1 9 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.054 0.299 25856 3438 1 9 . 1 1 65 65 GLY H H 65 8.618 8.618 7.858 0.760 25856 3439 1 9 . 1 1 66 66 ARG N N 66 118.635 118.635 119.668 -1.033 25856 3440 1 9 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.536 -0.550 25856 3441 1 9 . 1 1 66 66 ARG C C 66 175.345 175.345 174.358 0.987 25856 3442 1 9 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.386 -0.695 25856 3443 1 9 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.768 -1.357 25856 3444 1 9 . 1 1 66 66 ARG H H 66 8.621 8.621 8.664 -0.043 25856 3445 1 9 . 1 1 67 67 ILE N N 67 125.220 125.220 127.530 -2.310 25856 3446 1 9 . 1 1 67 67 ILE HA H 67 4.402 4.402 5.029 -0.627 25856 3447 1 9 . 1 1 67 67 ILE C C 67 176.084 176.084 175.917 0.167 25856 3448 1 9 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.083 2.216 25856 3449 1 9 . 1 1 67 67 ILE CB C 67 39.359 39.359 38.877 0.482 25856 3450 1 9 . 1 1 67 67 ILE H H 67 9.083 9.083 9.188 -0.105 25856 3451 1 9 . 1 1 68 68 THR N N 68 117.584 117.584 121.287 -3.703 25856 3452 1 9 . 1 1 68 68 THR HA H 68 4.435 4.435 4.621 -0.186 25856 3453 1 9 . 1 1 68 68 THR C C 68 174.406 174.406 174.178 0.228 25856 3454 1 9 . 1 1 68 68 THR CA C 68 61.164 61.164 61.794 -0.630 25856 3455 1 9 . 1 1 68 68 THR CB C 68 69.514 69.514 70.471 -0.957 25856 3456 1 9 . 1 1 68 68 THR H H 68 8.691 8.691 8.508 0.183 25856 3457 1 9 . 1 1 69 69 TYR N N 69 120.904 120.904 121.481 -0.577 25856 3458 1 9 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.726 -0.373 25856 3459 1 9 . 1 1 69 69 TYR C C 69 172.657 172.657 173.116 -0.459 25856 3460 1 9 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.808 0.926 25856 3461 1 9 . 1 1 69 69 TYR CB C 69 41.431 41.431 42.395 -0.964 25856 3462 1 9 . 1 1 69 69 TYR H H 69 7.479 7.479 7.567 -0.088 25856 3463 1 9 . 1 1 70 70 ARG N N 70 125.781 125.781 122.389 3.392 25856 3464 1 9 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.526 0.165 25856 3465 1 9 . 1 1 70 70 ARG C C 70 174.016 174.016 173.424 0.592 25856 3466 1 9 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.705 -0.044 25856 3467 1 9 . 1 1 70 70 ARG CB C 70 31.816 31.816 31.743 0.073 25856 3468 1 9 . 1 1 70 70 ARG H H 70 7.439 7.439 7.754 -0.315 25856 3469 1 9 . 1 1 71 71 TYR N N 71 124.942 124.942 124.977 -0.035 25856 3470 1 9 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.522 -0.271 25856 3471 1 9 . 1 1 71 71 TYR C C 71 175.278 175.278 174.454 0.824 25856 3472 1 9 . 1 1 71 71 TYR CA C 71 58.445 58.445 57.993 0.452 25856 3473 1 9 . 1 1 71 71 TYR CB C 71 38.803 38.803 40.064 -1.261 25856 3474 1 9 . 1 1 71 71 TYR H H 71 8.478 8.478 8.535 -0.057 25856 3475 1 10 . 1 1 5 5 ASP N N 5 121.636 121.636 119.729 1.907 25856 3476 1 10 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.786 -0.205 25856 3477 1 10 . 1 1 5 5 ASP C C 5 175.317 175.317 175.138 0.179 25856 3478 1 10 . 1 1 5 5 ASP CA C 5 54.687 54.687 53.092 1.595 25856 3479 1 10 . 1 1 5 5 ASP CB C 5 41.260 41.260 42.733 -1.474 25856 3480 1 10 . 1 1 5 5 ASP H H 5 8.370 8.370 7.879 0.491 25856 3481 1 10 . 1 1 6 6 VAL N N 6 116.054 116.054 119.158 -3.104 25856 3482 1 10 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.479 0.076 25856 3483 1 10 . 1 1 6 6 VAL C C 6 174.969 174.969 175.298 -0.329 25856 3484 1 10 . 1 1 6 6 VAL CA C 6 60.949 60.949 61.274 -0.325 25856 3485 1 10 . 1 1 6 6 VAL CB C 6 35.032 35.032 34.655 0.377 25856 3486 1 10 . 1 1 6 6 VAL H H 6 7.702 7.702 8.501 -0.799 25856 3487 1 10 . 1 1 7 7 ILE N N 7 123.240 123.240 126.171 -2.931 25856 3488 1 10 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.512 -0.130 25856 3489 1 10 . 1 1 7 7 ILE C C 7 174.177 174.177 174.753 -0.576 25856 3490 1 10 . 1 1 7 7 ILE CA C 7 60.100 60.100 59.996 0.104 25856 3491 1 10 . 1 1 7 7 ILE CB C 7 40.712 40.712 42.778 -2.066 25856 3492 1 10 . 1 1 7 7 ILE H H 7 8.748 8.748 9.194 -0.446 25856 3493 1 10 . 1 1 8 8 GLU N N 8 124.266 124.266 125.642 -1.376 25856 3494 1 10 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.441 -0.091 25856 3495 1 10 . 1 1 8 8 GLU C C 8 175.592 175.592 175.639 -0.047 25856 3496 1 10 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.407 -0.684 25856 3497 1 10 . 1 1 8 8 GLU CB C 8 33.510 33.510 31.092 2.418 25856 3498 1 10 . 1 1 8 8 GLU H H 8 8.236 8.236 8.539 -0.303 25856 3499 1 10 . 1 1 9 9 LEU N N 9 125.462 125.462 125.099 0.363 25856 3500 1 10 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.786 -0.009 25856 3501 1 10 . 1 1 9 9 LEU C C 9 174.654 174.654 176.089 -1.435 25856 3502 1 10 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.300 0.572 25856 3503 1 10 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.194 0.979 25856 3504 1 10 . 1 1 9 9 LEU H H 9 8.947 8.947 9.079 -0.132 25856 3505 1 10 . 1 1 10 10 GLU N N 10 119.884 119.884 119.515 0.369 25856 3506 1 10 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.434 -0.258 25856 3507 1 10 . 1 1 10 10 GLU C C 10 176.424 176.424 176.414 0.010 25856 3508 1 10 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.773 0.499 25856 3509 1 10 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.786 -0.971 25856 3510 1 10 . 1 1 10 10 GLU H H 10 8.697 8.697 8.631 0.066 25856 3511 1 10 . 1 1 11 11 GLY N N 11 107.302 107.302 109.449 -2.147 25856 3512 1 10 . 1 1 11 11 GLY C C 11 171.493 171.493 172.352 -0.859 25856 3513 1 10 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.207 0.475 25856 3514 1 10 . 1 1 11 11 GLY H H 11 8.896 8.896 8.505 0.391 25856 3515 1 10 . 1 1 12 12 THR N N 12 115.723 115.723 116.707 -0.984 25856 3516 1 10 . 1 1 12 12 THR HA H 12 5.057 5.057 5.126 -0.069 25856 3517 1 10 . 1 1 12 12 THR C C 12 174.347 174.347 173.446 0.901 25856 3518 1 10 . 1 1 12 12 THR CA C 12 61.226 61.226 61.764 -0.538 25856 3519 1 10 . 1 1 12 12 THR CB C 12 71.245 71.245 71.712 -0.467 25856 3520 1 10 . 1 1 12 12 THR H H 12 8.551 8.551 9.059 -0.508 25856 3521 1 10 . 1 1 13 13 VAL N N 13 127.141 127.141 126.993 0.148 25856 3522 1 10 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.539 -0.739 25856 3523 1 10 . 1 1 13 13 VAL C C 13 175.760 175.760 174.493 1.267 25856 3524 1 10 . 1 1 13 13 VAL CA C 13 64.518 64.518 60.656 3.862 25856 3525 1 10 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.081 -1.526 25856 3526 1 10 . 1 1 13 13 VAL H H 13 9.135 9.135 9.110 0.025 25856 3527 1 10 . 1 1 14 14 LEU N N 14 129.942 129.942 129.569 0.373 25856 3528 1 10 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.453 0.097 25856 3529 1 10 . 1 1 14 14 LEU C C 14 176.277 176.277 176.606 -0.329 25856 3530 1 10 . 1 1 14 14 LEU CA C 14 55.675 55.675 56.119 -0.444 25856 3531 1 10 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.888 1.116 25856 3532 1 10 . 1 1 14 14 LEU H H 14 9.536 9.536 8.650 0.886 25856 3533 1 10 . 1 1 15 15 ASP N N 15 113.621 113.621 115.215 -1.594 25856 3534 1 10 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.940 0.038 25856 3535 1 10 . 1 1 15 15 ASP C C 15 174.864 174.864 174.757 0.107 25856 3536 1 10 . 1 1 15 15 ASP CA C 15 53.317 53.317 52.871 0.446 25856 3537 1 10 . 1 1 15 15 ASP CB C 15 44.770 44.770 43.145 1.625 25856 3538 1 10 . 1 1 15 15 ASP H H 15 7.609 7.609 7.777 -0.168 25856 3539 1 10 . 1 1 16 16 THR N N 16 115.901 115.901 113.007 2.894 25856 3540 1 10 . 1 1 16 16 THR HA H 16 4.298 4.298 4.665 -0.367 25856 3541 1 10 . 1 1 16 16 THR C C 16 172.704 172.704 174.060 -1.356 25856 3542 1 10 . 1 1 16 16 THR CA C 16 60.251 60.251 61.522 -1.270 25856 3543 1 10 . 1 1 16 16 THR CB C 16 69.494 69.494 69.445 0.049 25856 3544 1 10 . 1 1 16 16 THR H H 16 8.841 8.841 8.427 0.414 25856 3545 1 10 . 1 1 17 17 LEU N N 17 125.747 125.747 126.812 -1.065 25856 3546 1 10 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.738 -0.055 25856 3547 1 10 . 1 1 17 17 LEU C C 17 174.509 174.509 175.204 -0.695 25856 3548 1 10 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.681 1.113 25856 3549 1 10 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.105 0.476 25856 3550 1 10 . 1 1 17 17 LEU H H 17 7.913 7.913 7.505 0.408 25856 3551 1 10 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.277 0.047 25856 3552 1 10 . 1 1 18 18 PRO C C 18 175.973 175.973 176.321 -0.348 25856 3553 1 10 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.403 -0.254 25856 3554 1 10 . 1 1 18 18 PRO CB C 18 32.228 32.228 31.932 0.296 25856 3555 1 10 . 1 1 19 19 ASN N N 19 115.147 115.147 116.695 -1.548 25856 3556 1 10 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.330 -0.099 25856 3557 1 10 . 1 1 19 19 ASN C C 19 174.180 174.180 175.088 -0.908 25856 3558 1 10 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.655 0.444 25856 3559 1 10 . 1 1 19 19 ASN CB C 19 36.910 36.910 36.705 0.205 25856 3560 1 10 . 1 1 19 19 ASN H H 19 8.598 8.598 8.787 -0.189 25856 3561 1 10 . 1 1 20 20 ALA N N 20 116.191 116.191 114.530 1.661 25856 3562 1 10 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.532 0.269 25856 3563 1 10 . 1 1 20 20 ALA C C 20 174.990 174.990 174.875 0.115 25856 3564 1 10 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.902 0.054 25856 3565 1 10 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.733 -1.190 25856 3566 1 10 . 1 1 20 20 ALA H H 20 8.335 8.335 8.211 0.124 25856 3567 1 10 . 1 1 21 21 MET N N 21 113.560 113.560 116.315 -2.755 25856 3568 1 10 . 1 1 21 21 MET HA H 21 5.124 5.124 5.126 -0.002 25856 3569 1 10 . 1 1 21 21 MET C C 21 175.205 175.205 174.219 0.986 25856 3570 1 10 . 1 1 21 21 MET CA C 21 54.597 54.597 53.826 0.771 25856 3571 1 10 . 1 1 21 21 MET CB C 21 35.150 35.150 36.296 -1.146 25856 3572 1 10 . 1 1 21 21 MET H H 21 6.302 6.302 6.941 -0.639 25856 3573 1 10 . 1 1 22 22 PHE N N 22 117.199 117.199 118.719 -1.520 25856 3574 1 10 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.865 0.053 25856 3575 1 10 . 1 1 22 22 PHE C C 22 174.697 174.697 173.772 0.925 25856 3576 1 10 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.160 -0.028 25856 3577 1 10 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.695 -0.561 25856 3578 1 10 . 1 1 22 22 PHE H H 22 9.007 9.007 9.292 -0.285 25856 3579 1 10 . 1 1 23 23 LYS N N 23 122.934 122.934 124.574 -1.640 25856 3580 1 10 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.981 0.136 25856 3581 1 10 . 1 1 23 23 LYS C C 23 175.853 175.853 174.968 0.885 25856 3582 1 10 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.738 -0.142 25856 3583 1 10 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.066 0.955 25856 3584 1 10 . 1 1 23 23 LYS H H 23 8.340 8.340 8.428 -0.088 25856 3585 1 10 . 1 1 24 24 VAL N N 24 128.487 128.487 127.256 1.231 25856 3586 1 10 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.522 0.119 25856 3587 1 10 . 1 1 24 24 VAL C C 24 173.199 173.199 174.345 -1.146 25856 3588 1 10 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.968 -0.263 25856 3589 1 10 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.438 1.171 25856 3590 1 10 . 1 1 24 24 VAL H H 24 9.123 9.123 8.961 0.162 25856 3591 1 10 . 1 1 25 25 GLU N N 25 127.440 127.440 126.514 0.926 25856 3592 1 10 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.146 -0.433 25856 3593 1 10 . 1 1 25 25 GLU C C 25 176.358 176.358 176.534 -0.176 25856 3594 1 10 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.677 0.230 25856 3595 1 10 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.156 0.483 25856 3596 1 10 . 1 1 25 25 GLU H H 25 9.017 9.017 8.999 0.018 25856 3597 1 10 . 1 1 26 26 LEU N N 26 128.629 128.629 126.920 1.709 25856 3598 1 10 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.301 0.503 25856 3599 1 10 . 1 1 26 26 LEU C C 26 179.339 179.339 178.676 0.663 25856 3600 1 10 . 1 1 26 26 LEU CA C 26 54.822 54.822 56.237 -1.415 25856 3601 1 10 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.249 1.319 25856 3602 1 10 . 1 1 26 26 LEU H H 26 9.101 9.101 9.242 -0.141 25856 3603 1 10 . 1 1 27 27 GLU N N 27 119.613 119.613 122.280 -2.667 25856 3604 1 10 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.060 0.102 25856 3605 1 10 . 1 1 27 27 GLU C C 27 175.724 175.724 177.706 -1.982 25856 3606 1 10 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.923 -0.534 25856 3607 1 10 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.035 0.647 25856 3608 1 10 . 1 1 27 27 GLU H H 27 8.794 8.794 8.450 0.344 25856 3609 1 10 . 1 1 28 28 ASN N N 28 114.625 114.625 116.791 -2.166 25856 3610 1 10 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.677 -0.066 25856 3611 1 10 . 1 1 28 28 ASN C C 28 176.299 176.299 176.312 -0.013 25856 3612 1 10 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.370 -0.889 25856 3613 1 10 . 1 1 28 28 ASN CB C 28 37.706 37.706 39.236 -1.530 25856 3614 1 10 . 1 1 28 28 ASN H H 28 7.183 7.183 7.974 -0.791 25856 3615 1 10 . 1 1 29 29 GLY N N 29 107.903 107.903 108.004 -0.101 25856 3616 1 10 . 1 1 29 29 GLY C C 29 174.243 174.243 173.436 0.807 25856 3617 1 10 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.378 -0.071 25856 3618 1 10 . 1 1 29 29 GLY H H 29 6.899 6.899 8.154 -1.255 25856 3619 1 10 . 1 1 30 30 HIS N N 30 118.953 118.953 120.056 -1.103 25856 3620 1 10 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.778 -0.114 25856 3621 1 10 . 1 1 30 30 HIS C C 30 173.476 173.476 173.549 -0.073 25856 3622 1 10 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.476 0.471 25856 3623 1 10 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.711 -1.550 25856 3624 1 10 . 1 1 30 30 HIS H H 30 7.739 7.739 7.913 -0.174 25856 3625 1 10 . 1 1 31 31 GLU N N 31 123.512 123.512 124.234 -0.722 25856 3626 1 10 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.975 0.266 25856 3627 1 10 . 1 1 31 31 GLU C C 31 176.181 176.181 175.232 0.949 25856 3628 1 10 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.381 -0.293 25856 3629 1 10 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.694 1.189 25856 3630 1 10 . 1 1 31 31 GLU H H 31 8.495 8.495 8.602 -0.107 25856 3631 1 10 . 1 1 32 32 ILE N N 32 117.654 117.654 116.664 0.990 25856 3632 1 10 . 1 1 32 32 ILE HA H 32 4.714 4.714 5.144 -0.430 25856 3633 1 10 . 1 1 32 32 ILE C C 32 174.438 174.438 173.968 0.470 25856 3634 1 10 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.123 0.067 25856 3635 1 10 . 1 1 32 32 ILE CB C 32 43.234 43.234 42.101 1.133 25856 3636 1 10 . 1 1 32 32 ILE H H 32 9.005 9.005 9.048 -0.043 25856 3637 1 10 . 1 1 33 33 LEU N N 33 122.166 122.166 123.861 -1.695 25856 3638 1 10 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.297 -0.080 25856 3639 1 10 . 1 1 33 33 LEU C C 33 176.190 176.190 176.041 0.149 25856 3640 1 10 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.446 0.397 25856 3641 1 10 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.113 0.645 25856 3642 1 10 . 1 1 33 33 LEU H H 33 7.713 7.713 8.619 -0.906 25856 3643 1 10 . 1 1 34 34 ALA N N 34 125.096 125.096 125.573 -0.477 25856 3644 1 10 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.359 0.133 25856 3645 1 10 . 1 1 34 34 ALA C C 34 175.700 175.700 175.315 0.385 25856 3646 1 10 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.081 0.176 25856 3647 1 10 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.021 0.130 25856 3648 1 10 . 1 1 34 34 ALA H H 34 9.442 9.442 9.153 0.289 25856 3649 1 10 . 1 1 35 35 HIS N N 35 117.670 117.670 121.661 -3.991 25856 3650 1 10 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.553 -0.046 25856 3651 1 10 . 1 1 35 35 HIS C C 35 174.787 174.787 175.235 -0.448 25856 3652 1 10 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.897 -0.468 25856 3653 1 10 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.836 -0.658 25856 3654 1 10 . 1 1 35 35 HIS H H 35 7.751 7.751 8.627 -0.876 25856 3655 1 10 . 1 1 36 36 VAL N N 36 119.236 119.236 120.243 -1.007 25856 3656 1 10 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.320 0.082 25856 3657 1 10 . 1 1 36 36 VAL C C 36 175.551 175.551 175.733 -0.182 25856 3658 1 10 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.422 0.911 25856 3659 1 10 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.894 0.495 25856 3660 1 10 . 1 1 36 36 VAL H H 36 9.217 9.217 7.816 1.401 25856 3661 1 10 . 1 1 37 37 SER N N 37 119.884 119.884 118.607 1.277 25856 3662 1 10 . 1 1 37 37 SER HA H 37 4.425 4.425 4.458 -0.033 25856 3663 1 10 . 1 1 37 37 SER C C 37 175.003 175.003 176.074 -1.071 25856 3664 1 10 . 1 1 37 37 SER CA C 37 57.971 57.971 58.341 -0.370 25856 3665 1 10 . 1 1 37 37 SER CB C 37 64.761 64.761 64.598 0.163 25856 3666 1 10 . 1 1 37 37 SER H H 37 8.375 8.375 8.103 0.272 25856 3667 1 10 . 1 1 38 38 GLY N N 38 122.166 122.166 109.081 13.085 25856 3668 1 10 . 1 1 38 38 GLY C C 38 175.253 175.253 176.276 -1.023 25856 3669 1 10 . 1 1 38 38 GLY CA C 38 46.755 46.755 47.036 -0.281 25856 3670 1 10 . 1 1 38 38 GLY H H 38 8.822 8.822 8.958 -0.136 25856 3671 1 10 . 1 1 39 39 LYS N N 39 120.070 120.070 120.830 -0.760 25856 3672 1 10 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.224 -0.167 25856 3673 1 10 . 1 1 39 39 LYS C C 39 177.734 177.734 177.514 0.220 25856 3674 1 10 . 1 1 39 39 LYS CA C 39 58.036 58.036 57.678 0.358 25856 3675 1 10 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.247 0.741 25856 3676 1 10 . 1 1 39 39 LYS H H 39 8.135 8.135 7.473 0.662 25856 3677 1 10 . 1 1 40 40 ILE N N 40 117.925 117.925 119.085 -1.160 25856 3678 1 10 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.924 0.106 25856 3679 1 10 . 1 1 40 40 ILE C C 40 176.736 176.736 178.362 -1.626 25856 3680 1 10 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.558 -1.801 25856 3681 1 10 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.489 -0.687 25856 3682 1 10 . 1 1 40 40 ILE H H 40 7.416 7.416 7.534 -0.118 25856 3683 1 10 . 1 1 41 41 ARG N N 41 122.141 122.141 121.171 0.970 25856 3684 1 10 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.041 0.065 25856 3685 1 10 . 1 1 41 41 ARG C C 41 177.543 177.543 177.627 -0.084 25856 3686 1 10 . 1 1 41 41 ARG CA C 41 58.036 58.036 59.086 -1.050 25856 3687 1 10 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.355 -0.245 25856 3688 1 10 . 1 1 41 41 ARG H H 41 7.912 7.912 8.211 -0.299 25856 3689 1 10 . 1 1 42 42 MET N N 42 118.223 118.223 114.977 3.246 25856 3690 1 10 . 1 1 42 42 MET HA H 42 4.281 4.281 4.251 0.030 25856 3691 1 10 . 1 1 42 42 MET C C 42 175.862 175.862 176.063 -0.201 25856 3692 1 10 . 1 1 42 42 MET CA C 42 56.299 56.299 56.890 -0.591 25856 3693 1 10 . 1 1 42 42 MET CB C 42 32.465 32.465 32.904 -0.439 25856 3694 1 10 . 1 1 42 42 MET H H 42 8.090 8.090 7.562 0.528 25856 3695 1 10 . 1 1 43 43 ASN N N 43 117.020 117.020 116.421 0.599 25856 3696 1 10 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.754 -0.132 25856 3697 1 10 . 1 1 43 43 ASN C C 43 174.616 174.616 174.509 0.107 25856 3698 1 10 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.277 0.999 25856 3699 1 10 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.330 -1.499 25856 3700 1 10 . 1 1 43 43 ASN H H 43 7.843 7.843 7.323 0.520 25856 3701 1 10 . 1 1 44 44 TYR N N 44 117.998 117.998 122.396 -4.398 25856 3702 1 10 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.538 -0.191 25856 3703 1 10 . 1 1 44 44 TYR C C 44 175.211 175.211 175.529 -0.318 25856 3704 1 10 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.263 0.389 25856 3705 1 10 . 1 1 44 44 TYR CB C 44 37.603 37.603 36.502 1.101 25856 3706 1 10 . 1 1 44 44 TYR H H 44 7.712 7.712 8.743 -1.031 25856 3707 1 10 . 1 1 45 45 ILE N N 45 120.711 120.711 121.312 -0.601 25856 3708 1 10 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.443 -0.500 25856 3709 1 10 . 1 1 45 45 ILE C C 45 173.895 173.895 175.877 -1.982 25856 3710 1 10 . 1 1 45 45 ILE CA C 45 61.254 61.254 59.180 2.074 25856 3711 1 10 . 1 1 45 45 ILE CB C 45 38.574 38.574 38.742 -0.168 25856 3712 1 10 . 1 1 45 45 ILE H H 45 7.466 7.466 7.768 -0.302 25856 3713 1 10 . 1 1 46 46 ARG N N 46 124.912 124.912 122.937 1.975 25856 3714 1 10 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.708 -0.324 25856 3715 1 10 . 1 1 46 46 ARG C C 46 174.759 174.759 174.464 0.295 25856 3716 1 10 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.597 -0.063 25856 3717 1 10 . 1 1 46 46 ARG CB C 46 30.762 30.762 31.232 -0.470 25856 3718 1 10 . 1 1 46 46 ARG H H 46 8.077 8.077 8.435 -0.358 25856 3719 1 10 . 1 1 47 47 ILE N N 47 125.326 125.326 123.814 1.512 25856 3720 1 10 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.602 -0.578 25856 3721 1 10 . 1 1 47 47 ILE C C 47 173.922 173.922 175.362 -1.440 25856 3722 1 10 . 1 1 47 47 ILE CA C 47 60.862 60.862 58.811 2.051 25856 3723 1 10 . 1 1 47 47 ILE CB C 47 37.726 37.726 38.895 -1.169 25856 3724 1 10 . 1 1 47 47 ILE H H 47 7.966 7.966 8.461 -0.495 25856 3725 1 10 . 1 1 48 48 LEU N N 48 128.989 128.989 130.262 -1.273 25856 3726 1 10 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.927 -0.063 25856 3727 1 10 . 1 1 48 48 LEU C C 48 174.217 174.217 174.328 -0.111 25856 3728 1 10 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.166 0.549 25856 3729 1 10 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.879 -1.356 25856 3730 1 10 . 1 1 48 48 LEU H H 48 8.765 8.765 9.270 -0.505 25856 3731 1 10 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.355 -0.497 25856 3732 1 10 . 1 1 49 49 PRO C C 49 176.960 176.960 177.160 -0.200 25856 3733 1 10 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.071 -0.130 25856 3734 1 10 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.496 -0.240 25856 3735 1 10 . 1 1 50 50 GLY N N 50 114.638 114.638 114.243 0.395 25856 3736 1 10 . 1 1 50 50 GLY C C 50 174.448 174.448 174.278 0.170 25856 3737 1 10 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.831 -0.124 25856 3738 1 10 . 1 1 50 50 GLY H H 50 9.317 9.317 9.350 -0.033 25856 3739 1 10 . 1 1 51 51 ASP N N 51 121.882 121.882 123.032 -1.150 25856 3740 1 10 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.791 -0.258 25856 3741 1 10 . 1 1 51 51 ASP C C 51 175.327 175.327 175.079 0.248 25856 3742 1 10 . 1 1 51 51 ASP CA C 51 55.393 55.393 54.118 1.275 25856 3743 1 10 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.201 -1.004 25856 3744 1 10 . 1 1 51 51 ASP H H 51 8.099 8.099 8.103 -0.004 25856 3745 1 10 . 1 1 52 52 LYS N N 52 121.338 121.338 119.745 1.593 25856 3746 1 10 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.371 -0.284 25856 3747 1 10 . 1 1 52 52 LYS C C 52 176.315 176.315 175.770 0.545 25856 3748 1 10 . 1 1 52 52 LYS CA C 52 54.652 54.652 54.819 -0.168 25856 3749 1 10 . 1 1 52 52 LYS CB C 52 32.597 32.597 35.414 -2.817 25856 3750 1 10 . 1 1 52 52 LYS H H 52 8.410 8.410 8.755 -0.345 25856 3751 1 10 . 1 1 53 53 VAL N N 53 114.761 114.761 117.869 -3.108 25856 3752 1 10 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.750 0.500 25856 3753 1 10 . 1 1 53 53 VAL C C 53 174.278 174.278 174.403 -0.125 25856 3754 1 10 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.514 -1.534 25856 3755 1 10 . 1 1 53 53 VAL CB C 53 36.262 36.262 34.895 1.367 25856 3756 1 10 . 1 1 53 53 VAL H H 53 8.693 8.693 8.873 -0.180 25856 3757 1 10 . 1 1 54 54 THR N N 54 117.231 117.231 121.170 -3.939 25856 3758 1 10 . 1 1 54 54 THR HA H 54 4.837 4.837 5.001 -0.164 25856 3759 1 10 . 1 1 54 54 THR C C 54 173.923 173.923 173.258 0.665 25856 3760 1 10 . 1 1 54 54 THR CA C 54 62.448 62.448 62.672 -0.224 25856 3761 1 10 . 1 1 54 54 THR CB C 54 69.891 69.891 69.569 0.322 25856 3762 1 10 . 1 1 54 54 THR H H 54 8.296 8.296 8.723 -0.427 25856 3763 1 10 . 1 1 55 55 VAL N N 55 124.203 124.203 127.976 -3.773 25856 3764 1 10 . 1 1 55 55 VAL HA H 55 4.832 4.832 5.169 -0.337 25856 3765 1 10 . 1 1 55 55 VAL C C 55 174.106 174.106 173.972 0.134 25856 3766 1 10 . 1 1 55 55 VAL CA C 55 59.551 59.551 58.996 0.555 25856 3767 1 10 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.314 -0.738 25856 3768 1 10 . 1 1 55 55 VAL H H 55 9.331 9.331 9.288 0.043 25856 3769 1 10 . 1 1 56 56 GLU N N 56 123.984 123.984 128.212 -4.228 25856 3770 1 10 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.033 0.187 25856 3771 1 10 . 1 1 56 56 GLU C C 56 176.645 176.645 175.423 1.222 25856 3772 1 10 . 1 1 56 56 GLU CA C 56 54.402 54.402 54.795 -0.393 25856 3773 1 10 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.355 2.345 25856 3774 1 10 . 1 1 56 56 GLU H H 56 9.143 9.143 9.207 -0.064 25856 3775 1 10 . 1 1 57 57 MET N N 57 123.465 123.465 121.509 1.956 25856 3776 1 10 . 1 1 57 57 MET HA H 57 4.795 4.795 5.005 -0.210 25856 3777 1 10 . 1 1 57 57 MET C C 57 174.899 174.899 174.404 0.495 25856 3778 1 10 . 1 1 57 57 MET CA C 57 54.339 54.339 54.526 -0.187 25856 3779 1 10 . 1 1 57 57 MET CB C 57 36.252 36.252 37.286 -1.034 25856 3780 1 10 . 1 1 57 57 MET H H 57 9.173 9.173 9.122 0.051 25856 3781 1 10 . 1 1 58 58 SER N N 58 117.390 117.390 115.984 1.406 25856 3782 1 10 . 1 1 58 58 SER HA H 58 5.039 5.039 5.143 -0.104 25856 3783 1 10 . 1 1 58 58 SER C C 58 174.693 174.693 174.662 0.031 25856 3784 1 10 . 1 1 58 58 SER CA C 58 54.932 54.932 55.417 -0.485 25856 3785 1 10 . 1 1 58 58 SER CB C 58 64.587 64.587 63.009 1.578 25856 3786 1 10 . 1 1 58 58 SER H H 58 9.184 9.184 8.998 0.186 25856 3787 1 10 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.321 -0.215 25856 3788 1 10 . 1 1 59 59 PRO C C 59 176.290 176.290 176.793 -0.503 25856 3789 1 10 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.811 -0.958 25856 3790 1 10 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.552 0.214 25856 3791 1 10 . 1 1 60 60 TYR N N 60 113.938 113.938 116.847 -2.909 25856 3792 1 10 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.419 0.070 25856 3793 1 10 . 1 1 60 60 TYR C C 60 175.439 175.439 175.804 -0.365 25856 3794 1 10 . 1 1 60 60 TYR CA C 60 57.342 57.342 59.504 -2.162 25856 3795 1 10 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.025 -0.732 25856 3796 1 10 . 1 1 60 60 TYR H H 60 7.307 7.307 8.036 -0.729 25856 3797 1 10 . 1 1 61 61 ASP N N 61 118.283 118.283 119.177 -0.894 25856 3798 1 10 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.548 0.219 25856 3799 1 10 . 1 1 61 61 ASP C C 61 174.996 174.996 176.773 -1.777 25856 3800 1 10 . 1 1 61 61 ASP CA C 61 53.842 53.842 55.158 -1.316 25856 3801 1 10 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.523 -2.100 25856 3802 1 10 . 1 1 61 61 ASP H H 61 7.418 7.418 7.939 -0.521 25856 3803 1 10 . 1 1 62 62 LEU N N 62 124.044 124.044 117.297 6.747 25856 3804 1 10 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.887 0.600 25856 3805 1 10 . 1 1 62 62 LEU C C 62 177.109 177.109 175.007 2.102 25856 3806 1 10 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.834 -0.604 25856 3807 1 10 . 1 1 62 62 LEU CB C 62 40.930 40.930 40.870 0.060 25856 3808 1 10 . 1 1 62 62 LEU H H 62 8.743 8.743 8.115 0.628 25856 3809 1 10 . 1 1 63 63 THR N N 63 107.624 107.624 111.186 -3.562 25856 3810 1 10 . 1 1 63 63 THR HA H 63 4.608 4.608 4.389 0.219 25856 3811 1 10 . 1 1 63 63 THR C C 63 174.873 174.873 173.210 1.663 25856 3812 1 10 . 1 1 63 63 THR CA C 63 62.686 62.686 61.960 0.726 25856 3813 1 10 . 1 1 63 63 THR CB C 63 70.393 70.393 69.921 0.472 25856 3814 1 10 . 1 1 63 63 THR H H 63 8.415 8.415 8.390 0.025 25856 3815 1 10 . 1 1 64 64 ARG N N 64 120.138 120.138 117.761 2.377 25856 3816 1 10 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.421 0.198 25856 3817 1 10 . 1 1 64 64 ARG C C 64 174.858 174.858 173.859 0.999 25856 3818 1 10 . 1 1 64 64 ARG CA C 64 54.218 54.218 54.209 0.009 25856 3819 1 10 . 1 1 64 64 ARG CB C 64 34.526 34.526 34.137 0.389 25856 3820 1 10 . 1 1 64 64 ARG H H 64 7.200 7.200 7.486 -0.286 25856 3821 1 10 . 1 1 65 65 GLY N N 65 106.034 106.034 106.748 -0.714 25856 3822 1 10 . 1 1 65 65 GLY C C 65 171.075 171.075 171.713 -0.638 25856 3823 1 10 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.590 -0.237 25856 3824 1 10 . 1 1 65 65 GLY H H 65 8.618 8.618 8.035 0.583 25856 3825 1 10 . 1 1 66 66 ARG N N 66 118.635 118.635 119.186 -0.551 25856 3826 1 10 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.533 -0.547 25856 3827 1 10 . 1 1 66 66 ARG C C 66 175.345 175.345 174.808 0.537 25856 3828 1 10 . 1 1 66 66 ARG CA C 66 53.691 53.691 53.986 -0.295 25856 3829 1 10 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.786 -1.375 25856 3830 1 10 . 1 1 66 66 ARG H H 66 8.621 8.621 8.764 -0.143 25856 3831 1 10 . 1 1 67 67 ILE N N 67 125.220 125.220 126.254 -1.034 25856 3832 1 10 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.716 -0.314 25856 3833 1 10 . 1 1 67 67 ILE C C 67 176.084 176.084 176.443 -0.359 25856 3834 1 10 . 1 1 67 67 ILE CA C 67 62.299 62.299 61.395 0.904 25856 3835 1 10 . 1 1 67 67 ILE CB C 67 39.359 39.359 37.861 1.498 25856 3836 1 10 . 1 1 67 67 ILE H H 67 9.083 9.083 9.029 0.054 25856 3837 1 10 . 1 1 68 68 THR N N 68 117.584 117.584 122.108 -4.524 25856 3838 1 10 . 1 1 68 68 THR HA H 68 4.435 4.435 4.489 -0.054 25856 3839 1 10 . 1 1 68 68 THR C C 68 174.406 174.406 174.526 -0.120 25856 3840 1 10 . 1 1 68 68 THR CA C 68 61.164 61.164 62.113 -0.949 25856 3841 1 10 . 1 1 68 68 THR CB C 68 69.514 69.514 70.773 -1.260 25856 3842 1 10 . 1 1 68 68 THR H H 68 8.691 8.691 8.906 -0.215 25856 3843 1 10 . 1 1 69 69 TYR N N 69 120.904 120.904 120.228 0.676 25856 3844 1 10 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.688 -0.335 25856 3845 1 10 . 1 1 69 69 TYR C C 69 172.657 172.657 172.927 -0.270 25856 3846 1 10 . 1 1 69 69 TYR CA C 69 58.734 58.734 58.296 0.438 25856 3847 1 10 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.680 -0.249 25856 3848 1 10 . 1 1 69 69 TYR H H 69 7.479 7.479 7.519 -0.040 25856 3849 1 10 . 1 1 70 70 ARG N N 70 125.781 125.781 123.522 2.259 25856 3850 1 10 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.673 0.018 25856 3851 1 10 . 1 1 70 70 ARG C C 70 174.016 174.016 173.539 0.477 25856 3852 1 10 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.464 0.197 25856 3853 1 10 . 1 1 70 70 ARG CB C 70 31.816 31.816 31.215 0.601 25856 3854 1 10 . 1 1 70 70 ARG H H 70 7.439 7.439 7.778 -0.339 25856 3855 1 10 . 1 1 71 71 TYR N N 71 124.942 124.942 125.092 -0.150 25856 3856 1 10 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.643 -0.392 25856 3857 1 10 . 1 1 71 71 TYR C C 71 175.278 175.278 174.206 1.072 25856 3858 1 10 . 1 1 71 71 TYR CA C 71 58.445 58.445 56.957 1.488 25856 3859 1 10 . 1 1 71 71 TYR CB C 71 38.803 38.803 42.611 -3.808 25856 3860 1 10 . 1 1 71 71 TYR H H 71 8.478 8.478 8.944 -0.466 25856 3861 1 11 . 1 1 5 5 ASP N N 5 121.636 121.636 120.314 1.322 25856 3862 1 11 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.545 0.036 25856 3863 1 11 . 1 1 5 5 ASP C C 5 175.317 175.317 176.224 -0.907 25856 3864 1 11 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.650 -0.963 25856 3865 1 11 . 1 1 5 5 ASP CB C 5 41.260 41.260 40.640 0.620 25856 3866 1 11 . 1 1 5 5 ASP H H 5 8.370 8.370 8.445 -0.075 25856 3867 1 11 . 1 1 6 6 VAL N N 6 116.054 116.054 118.060 -2.006 25856 3868 1 11 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.195 0.360 25856 3869 1 11 . 1 1 6 6 VAL C C 6 174.969 174.969 174.760 0.209 25856 3870 1 11 . 1 1 6 6 VAL CA C 6 60.949 60.949 61.452 -0.503 25856 3871 1 11 . 1 1 6 6 VAL CB C 6 35.032 35.032 33.904 1.128 25856 3872 1 11 . 1 1 6 6 VAL H H 6 7.702 7.702 7.574 0.128 25856 3873 1 11 . 1 1 7 7 ILE N N 7 123.240 123.240 122.571 0.669 25856 3874 1 11 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.978 -0.596 25856 3875 1 11 . 1 1 7 7 ILE C C 7 174.177 174.177 174.997 -0.820 25856 3876 1 11 . 1 1 7 7 ILE CA C 7 60.100 60.100 58.087 2.013 25856 3877 1 11 . 1 1 7 7 ILE CB C 7 40.712 40.712 40.194 0.518 25856 3878 1 11 . 1 1 7 7 ILE H H 7 8.748 8.748 9.217 -0.469 25856 3879 1 11 . 1 1 8 8 GLU N N 8 124.266 124.266 127.194 -2.928 25856 3880 1 11 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.523 -0.173 25856 3881 1 11 . 1 1 8 8 GLU C C 8 175.592 175.592 174.828 0.764 25856 3882 1 11 . 1 1 8 8 GLU CA C 8 54.724 54.724 54.213 0.511 25856 3883 1 11 . 1 1 8 8 GLU CB C 8 33.510 33.510 31.645 1.865 25856 3884 1 11 . 1 1 8 8 GLU H H 8 8.236 8.236 8.307 -0.071 25856 3885 1 11 . 1 1 9 9 LEU N N 9 125.462 125.462 123.862 1.600 25856 3886 1 11 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.784 -0.007 25856 3887 1 11 . 1 1 9 9 LEU C C 9 174.654 174.654 175.388 -0.734 25856 3888 1 11 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.370 0.502 25856 3889 1 11 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.758 0.415 25856 3890 1 11 . 1 1 9 9 LEU H H 9 8.947 8.947 9.166 -0.219 25856 3891 1 11 . 1 1 10 10 GLU N N 10 119.884 119.884 120.695 -0.811 25856 3892 1 11 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.067 0.109 25856 3893 1 11 . 1 1 10 10 GLU C C 10 176.424 176.424 175.883 0.541 25856 3894 1 11 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.880 0.392 25856 3895 1 11 . 1 1 10 10 GLU CB C 10 31.815 31.815 31.793 0.022 25856 3896 1 11 . 1 1 10 10 GLU H H 10 8.697 8.697 9.206 -0.509 25856 3897 1 11 . 1 1 11 11 GLY N N 11 107.302 107.302 111.148 -3.846 25856 3898 1 11 . 1 1 11 11 GLY C C 11 171.493 171.493 172.656 -1.163 25856 3899 1 11 . 1 1 11 11 GLY CA C 11 45.682 45.682 44.167 1.515 25856 3900 1 11 . 1 1 11 11 GLY H H 11 8.896 8.896 9.172 -0.276 25856 3901 1 11 . 1 1 12 12 THR N N 12 115.723 115.723 117.019 -1.296 25856 3902 1 11 . 1 1 12 12 THR HA H 12 5.057 5.057 5.101 -0.044 25856 3903 1 11 . 1 1 12 12 THR C C 12 174.347 174.347 173.465 0.882 25856 3904 1 11 . 1 1 12 12 THR CA C 12 61.226 61.226 61.794 -0.568 25856 3905 1 11 . 1 1 12 12 THR CB C 12 71.245 71.245 71.285 -0.040 25856 3906 1 11 . 1 1 12 12 THR H H 12 8.551 8.551 9.027 -0.476 25856 3907 1 11 . 1 1 13 13 VAL N N 13 127.141 127.141 127.314 -0.173 25856 3908 1 11 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.406 -0.606 25856 3909 1 11 . 1 1 13 13 VAL C C 13 175.760 175.760 174.092 1.668 25856 3910 1 11 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.159 3.359 25856 3911 1 11 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.935 -1.380 25856 3912 1 11 . 1 1 13 13 VAL H H 13 9.135 9.135 8.859 0.276 25856 3913 1 11 . 1 1 14 14 LEU N N 14 129.942 129.942 130.101 -0.159 25856 3914 1 11 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.542 0.008 25856 3915 1 11 . 1 1 14 14 LEU C C 14 176.277 176.277 176.737 -0.460 25856 3916 1 11 . 1 1 14 14 LEU CA C 14 55.675 55.675 56.011 -0.336 25856 3917 1 11 . 1 1 14 14 LEU CB C 14 44.004 44.004 43.096 0.908 25856 3918 1 11 . 1 1 14 14 LEU H H 14 9.536 9.536 8.696 0.840 25856 3919 1 11 . 1 1 15 15 ASP N N 15 113.621 113.621 118.469 -4.848 25856 3920 1 11 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.037 -0.059 25856 3921 1 11 . 1 1 15 15 ASP C C 15 174.864 174.864 174.830 0.034 25856 3922 1 11 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.160 0.157 25856 3923 1 11 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.367 0.403 25856 3924 1 11 . 1 1 15 15 ASP H H 15 7.609 7.609 7.826 -0.217 25856 3925 1 11 . 1 1 16 16 THR N N 16 115.901 115.901 112.783 3.118 25856 3926 1 11 . 1 1 16 16 THR HA H 16 4.298 4.298 4.531 -0.233 25856 3927 1 11 . 1 1 16 16 THR C C 16 172.704 172.704 173.887 -1.183 25856 3928 1 11 . 1 1 16 16 THR CA C 16 60.251 60.251 61.625 -1.374 25856 3929 1 11 . 1 1 16 16 THR CB C 16 69.494 69.494 69.503 -0.009 25856 3930 1 11 . 1 1 16 16 THR H H 16 8.841 8.841 8.289 0.552 25856 3931 1 11 . 1 1 17 17 LEU N N 17 125.747 125.747 125.235 0.512 25856 3932 1 11 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.821 -0.138 25856 3933 1 11 . 1 1 17 17 LEU C C 17 174.509 174.509 175.399 -0.890 25856 3934 1 11 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.032 1.762 25856 3935 1 11 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.938 -0.357 25856 3936 1 11 . 1 1 17 17 LEU H H 17 7.913 7.913 7.843 0.070 25856 3937 1 11 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.302 0.022 25856 3938 1 11 . 1 1 18 18 PRO C C 18 175.973 175.973 176.292 -0.319 25856 3939 1 11 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.336 -0.187 25856 3940 1 11 . 1 1 18 18 PRO CB C 18 32.228 32.228 31.974 0.254 25856 3941 1 11 . 1 1 19 19 ASN N N 19 115.147 115.147 117.047 -1.900 25856 3942 1 11 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.390 -0.159 25856 3943 1 11 . 1 1 19 19 ASN C C 19 174.180 174.180 174.811 -0.631 25856 3944 1 11 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.653 0.446 25856 3945 1 11 . 1 1 19 19 ASN CB C 19 36.910 36.910 36.770 0.140 25856 3946 1 11 . 1 1 19 19 ASN H H 19 8.598 8.598 8.818 -0.220 25856 3947 1 11 . 1 1 20 20 ALA N N 20 116.191 116.191 113.498 2.693 25856 3948 1 11 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.764 0.037 25856 3949 1 11 . 1 1 20 20 ALA C C 20 174.990 174.990 175.650 -0.660 25856 3950 1 11 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.189 -0.233 25856 3951 1 11 . 1 1 20 20 ALA CB C 20 16.543 16.543 18.122 -1.579 25856 3952 1 11 . 1 1 20 20 ALA H H 20 8.335 8.335 8.355 -0.020 25856 3953 1 11 . 1 1 21 21 MET N N 21 113.560 113.560 116.398 -2.838 25856 3954 1 11 . 1 1 21 21 MET HA H 21 5.124 5.124 5.508 -0.384 25856 3955 1 11 . 1 1 21 21 MET C C 21 175.205 175.205 174.477 0.728 25856 3956 1 11 . 1 1 21 21 MET CA C 21 54.597 54.597 54.220 0.377 25856 3957 1 11 . 1 1 21 21 MET CB C 21 35.150 35.150 36.010 -0.860 25856 3958 1 11 . 1 1 21 21 MET H H 21 6.302 6.302 7.175 -0.873 25856 3959 1 11 . 1 1 22 22 PHE N N 22 117.199 117.199 119.139 -1.940 25856 3960 1 11 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.827 0.091 25856 3961 1 11 . 1 1 22 22 PHE C C 22 174.697 174.697 173.804 0.893 25856 3962 1 11 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.114 0.018 25856 3963 1 11 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.881 -0.747 25856 3964 1 11 . 1 1 22 22 PHE H H 22 9.007 9.007 9.322 -0.315 25856 3965 1 11 . 1 1 23 23 LYS N N 23 122.934 122.934 124.423 -1.489 25856 3966 1 11 . 1 1 23 23 LYS HA H 23 5.117 5.117 5.023 0.094 25856 3967 1 11 . 1 1 23 23 LYS C C 23 175.853 175.853 174.786 1.067 25856 3968 1 11 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.639 -0.043 25856 3969 1 11 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.510 0.512 25856 3970 1 11 . 1 1 23 23 LYS H H 23 8.340 8.340 8.722 -0.382 25856 3971 1 11 . 1 1 24 24 VAL N N 24 128.487 128.487 126.754 1.733 25856 3972 1 11 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.623 0.018 25856 3973 1 11 . 1 1 24 24 VAL C C 24 173.199 173.199 174.523 -1.324 25856 3974 1 11 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.108 0.597 25856 3975 1 11 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.727 0.882 25856 3976 1 11 . 1 1 24 24 VAL H H 24 9.123 9.123 8.984 0.139 25856 3977 1 11 . 1 1 25 25 GLU N N 25 127.440 127.440 123.966 3.474 25856 3978 1 11 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.266 -0.553 25856 3979 1 11 . 1 1 25 25 GLU C C 25 176.358 176.358 176.473 -0.115 25856 3980 1 11 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.778 0.129 25856 3981 1 11 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.965 -0.326 25856 3982 1 11 . 1 1 25 25 GLU H H 25 9.017 9.017 9.014 0.003 25856 3983 1 11 . 1 1 26 26 LEU N N 26 128.629 128.629 124.275 4.354 25856 3984 1 11 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.330 0.474 25856 3985 1 11 . 1 1 26 26 LEU C C 26 179.339 179.339 178.947 0.392 25856 3986 1 11 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.630 -0.808 25856 3987 1 11 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.386 1.182 25856 3988 1 11 . 1 1 26 26 LEU H H 26 9.101 9.101 8.963 0.138 25856 3989 1 11 . 1 1 27 27 GLU N N 27 119.613 119.613 120.377 -0.764 25856 3990 1 11 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.074 0.088 25856 3991 1 11 . 1 1 27 27 GLU C C 27 175.724 175.724 177.718 -1.994 25856 3992 1 11 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.732 -1.343 25856 3993 1 11 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.348 0.334 25856 3994 1 11 . 1 1 27 27 GLU H H 27 8.794 8.794 9.012 -0.218 25856 3995 1 11 . 1 1 28 28 ASN N N 28 114.625 114.625 115.659 -1.034 25856 3996 1 11 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.685 -0.074 25856 3997 1 11 . 1 1 28 28 ASN C C 28 176.299 176.299 176.122 0.177 25856 3998 1 11 . 1 1 28 28 ASN CA C 28 52.481 52.481 52.745 -0.264 25856 3999 1 11 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.427 -0.721 25856 4000 1 11 . 1 1 28 28 ASN H H 28 7.183 7.183 8.175 -0.992 25856 4001 1 11 . 1 1 29 29 GLY N N 29 107.903 107.903 106.256 1.647 25856 4002 1 11 . 1 1 29 29 GLY C C 29 174.243 174.243 173.845 0.398 25856 4003 1 11 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.543 -0.236 25856 4004 1 11 . 1 1 29 29 GLY H H 29 6.899 6.899 7.931 -1.032 25856 4005 1 11 . 1 1 30 30 HIS N N 30 118.953 118.953 118.836 0.117 25856 4006 1 11 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.713 -0.049 25856 4007 1 11 . 1 1 30 30 HIS C C 30 173.476 173.476 174.150 -0.674 25856 4008 1 11 . 1 1 30 30 HIS CA C 30 55.947 55.947 54.385 1.562 25856 4009 1 11 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.358 -1.197 25856 4010 1 11 . 1 1 30 30 HIS H H 30 7.739 7.739 7.918 -0.179 25856 4011 1 11 . 1 1 31 31 GLU N N 31 123.512 123.512 122.749 0.763 25856 4012 1 11 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.827 0.414 25856 4013 1 11 . 1 1 31 31 GLU C C 31 176.181 176.181 175.827 0.354 25856 4014 1 11 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.179 -0.091 25856 4015 1 11 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.856 1.027 25856 4016 1 11 . 1 1 31 31 GLU H H 31 8.495 8.495 7.984 0.511 25856 4017 1 11 . 1 1 32 32 ILE N N 32 117.654 117.654 116.129 1.525 25856 4018 1 11 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.981 -0.267 25856 4019 1 11 . 1 1 32 32 ILE C C 32 174.438 174.438 174.014 0.424 25856 4020 1 11 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.600 -0.410 25856 4021 1 11 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.856 1.378 25856 4022 1 11 . 1 1 32 32 ILE H H 32 9.005 9.005 9.078 -0.073 25856 4023 1 11 . 1 1 33 33 LEU N N 33 122.166 122.166 124.177 -2.011 25856 4024 1 11 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.248 -0.031 25856 4025 1 11 . 1 1 33 33 LEU C C 33 176.190 176.190 176.718 -0.528 25856 4026 1 11 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.581 0.262 25856 4027 1 11 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.851 0.907 25856 4028 1 11 . 1 1 33 33 LEU H H 33 7.713 7.713 8.528 -0.815 25856 4029 1 11 . 1 1 34 34 ALA N N 34 125.096 125.096 127.307 -2.211 25856 4030 1 11 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.440 0.052 25856 4031 1 11 . 1 1 34 34 ALA C C 34 175.700 175.700 175.386 0.314 25856 4032 1 11 . 1 1 34 34 ALA CA C 34 50.257 50.257 49.962 0.295 25856 4033 1 11 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.227 -0.076 25856 4034 1 11 . 1 1 34 34 ALA H H 34 9.442 9.442 9.402 0.040 25856 4035 1 11 . 1 1 35 35 HIS N N 35 117.670 117.670 119.871 -2.201 25856 4036 1 11 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.647 -0.139 25856 4037 1 11 . 1 1 35 35 HIS C C 35 174.787 174.787 175.479 -0.692 25856 4038 1 11 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.512 -0.083 25856 4039 1 11 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.690 -0.512 25856 4040 1 11 . 1 1 35 35 HIS H H 35 7.751 7.751 8.635 -0.884 25856 4041 1 11 . 1 1 36 36 VAL N N 36 119.236 119.236 122.758 -3.522 25856 4042 1 11 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.625 -0.223 25856 4043 1 11 . 1 1 36 36 VAL C C 36 175.551 175.551 175.804 -0.253 25856 4044 1 11 . 1 1 36 36 VAL CA C 36 62.333 62.333 60.716 1.617 25856 4045 1 11 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.648 0.741 25856 4046 1 11 . 1 1 36 36 VAL H H 36 9.217 9.217 7.983 1.234 25856 4047 1 11 . 1 1 37 37 SER N N 37 119.884 119.884 119.180 0.704 25856 4048 1 11 . 1 1 37 37 SER HA H 37 4.425 4.425 4.414 0.011 25856 4049 1 11 . 1 1 37 37 SER C C 37 175.003 175.003 176.283 -1.280 25856 4050 1 11 . 1 1 37 37 SER CA C 37 57.971 57.971 58.297 -0.326 25856 4051 1 11 . 1 1 37 37 SER CB C 37 64.761 64.761 63.932 0.829 25856 4052 1 11 . 1 1 37 37 SER H H 37 8.375 8.375 8.513 -0.138 25856 4053 1 11 . 1 1 38 38 GLY N N 38 122.166 122.166 109.145 13.021 25856 4054 1 11 . 1 1 38 38 GLY C C 38 175.253 175.253 175.470 -0.217 25856 4055 1 11 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.931 -0.176 25856 4056 1 11 . 1 1 38 38 GLY H H 38 8.822 8.822 8.921 -0.099 25856 4057 1 11 . 1 1 39 39 LYS N N 39 120.070 120.070 120.303 -0.233 25856 4058 1 11 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.154 -0.097 25856 4059 1 11 . 1 1 39 39 LYS C C 39 177.734 177.734 178.073 -0.339 25856 4060 1 11 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.673 -0.637 25856 4061 1 11 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.316 0.672 25856 4062 1 11 . 1 1 39 39 LYS H H 39 8.135 8.135 7.447 0.688 25856 4063 1 11 . 1 1 40 40 ILE N N 40 117.925 117.925 119.825 -1.900 25856 4064 1 11 . 1 1 40 40 ILE HA H 40 4.030 4.030 4.483 -0.453 25856 4065 1 11 . 1 1 40 40 ILE C C 40 176.736 176.736 177.494 -0.758 25856 4066 1 11 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.144 -1.387 25856 4067 1 11 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.002 -0.200 25856 4068 1 11 . 1 1 40 40 ILE H H 40 7.416 7.416 8.089 -0.673 25856 4069 1 11 . 1 1 41 41 ARG N N 41 122.141 122.141 121.032 1.109 25856 4070 1 11 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.240 -0.134 25856 4071 1 11 . 1 1 41 41 ARG C C 41 177.543 177.543 178.061 -0.518 25856 4072 1 11 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.642 -0.606 25856 4073 1 11 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.284 -0.174 25856 4074 1 11 . 1 1 41 41 ARG H H 41 7.912 7.912 7.388 0.524 25856 4075 1 11 . 1 1 42 42 MET N N 42 118.223 118.223 115.932 2.291 25856 4076 1 11 . 1 1 42 42 MET HA H 42 4.281 4.281 4.067 0.214 25856 4077 1 11 . 1 1 42 42 MET C C 42 175.862 175.862 176.235 -0.373 25856 4078 1 11 . 1 1 42 42 MET CA C 42 56.299 56.299 58.539 -2.240 25856 4079 1 11 . 1 1 42 42 MET CB C 42 32.465 32.465 33.339 -0.874 25856 4080 1 11 . 1 1 42 42 MET H H 42 8.090 8.090 8.041 0.049 25856 4081 1 11 . 1 1 43 43 ASN N N 43 117.020 117.020 116.698 0.322 25856 4082 1 11 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.710 -0.088 25856 4083 1 11 . 1 1 43 43 ASN C C 43 174.616 174.616 173.506 1.110 25856 4084 1 11 . 1 1 43 43 ASN CA C 43 53.276 53.276 51.597 1.679 25856 4085 1 11 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.073 -0.242 25856 4086 1 11 . 1 1 43 43 ASN H H 43 7.843 7.843 7.824 0.019 25856 4087 1 11 . 1 1 44 44 TYR N N 44 117.998 117.998 123.119 -5.121 25856 4088 1 11 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.731 -0.384 25856 4089 1 11 . 1 1 44 44 TYR C C 44 175.211 175.211 176.117 -0.906 25856 4090 1 11 . 1 1 44 44 TYR CA C 44 58.652 58.652 57.692 0.960 25856 4091 1 11 . 1 1 44 44 TYR CB C 44 37.603 37.603 37.092 0.511 25856 4092 1 11 . 1 1 44 44 TYR H H 44 7.712 7.712 8.435 -0.723 25856 4093 1 11 . 1 1 45 45 ILE N N 45 120.711 120.711 125.458 -4.747 25856 4094 1 11 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.076 -0.133 25856 4095 1 11 . 1 1 45 45 ILE C C 45 173.895 173.895 175.856 -1.961 25856 4096 1 11 . 1 1 45 45 ILE CA C 45 61.254 61.254 59.944 1.310 25856 4097 1 11 . 1 1 45 45 ILE CB C 45 38.574 38.574 37.861 0.713 25856 4098 1 11 . 1 1 45 45 ILE H H 45 7.466 7.466 7.881 -0.415 25856 4099 1 11 . 1 1 46 46 ARG N N 46 124.912 124.912 127.773 -2.861 25856 4100 1 11 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.355 0.029 25856 4101 1 11 . 1 1 46 46 ARG C C 46 174.759 174.759 176.132 -1.373 25856 4102 1 11 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.963 -0.429 25856 4103 1 11 . 1 1 46 46 ARG CB C 46 30.762 30.762 29.465 1.297 25856 4104 1 11 . 1 1 46 46 ARG H H 46 8.077 8.077 8.650 -0.573 25856 4105 1 11 . 1 1 47 47 ILE N N 47 125.326 125.326 125.510 -0.184 25856 4106 1 11 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.092 -0.068 25856 4107 1 11 . 1 1 47 47 ILE C C 47 173.922 173.922 175.516 -1.594 25856 4108 1 11 . 1 1 47 47 ILE CA C 47 60.862 60.862 59.542 1.320 25856 4109 1 11 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.859 -0.133 25856 4110 1 11 . 1 1 47 47 ILE H H 47 7.966 7.966 8.228 -0.262 25856 4111 1 11 . 1 1 48 48 LEU N N 48 128.989 128.989 130.231 -1.242 25856 4112 1 11 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.900 -0.036 25856 4113 1 11 . 1 1 48 48 LEU C C 48 174.217 174.217 174.286 -0.069 25856 4114 1 11 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.157 0.558 25856 4115 1 11 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.635 -1.112 25856 4116 1 11 . 1 1 48 48 LEU H H 48 8.765 8.765 8.013 0.752 25856 4117 1 11 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.448 -0.590 25856 4118 1 11 . 1 1 49 49 PRO C C 49 176.960 176.960 177.233 -0.273 25856 4119 1 11 . 1 1 49 49 PRO CA C 49 63.941 63.941 63.998 -0.057 25856 4120 1 11 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.634 -0.378 25856 4121 1 11 . 1 1 50 50 GLY N N 50 114.638 114.638 114.686 -0.048 25856 4122 1 11 . 1 1 50 50 GLY C C 50 174.448 174.448 174.360 0.088 25856 4123 1 11 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.664 0.043 25856 4124 1 11 . 1 1 50 50 GLY H H 50 9.317 9.317 9.133 0.184 25856 4125 1 11 . 1 1 51 51 ASP N N 51 121.882 121.882 122.338 -0.456 25856 4126 1 11 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.822 -0.289 25856 4127 1 11 . 1 1 51 51 ASP C C 51 175.327 175.327 174.911 0.416 25856 4128 1 11 . 1 1 51 51 ASP CA C 51 55.393 55.393 53.415 1.978 25856 4129 1 11 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.737 -1.540 25856 4130 1 11 . 1 1 51 51 ASP H H 51 8.099 8.099 7.955 0.144 25856 4131 1 11 . 1 1 52 52 LYS N N 52 121.338 121.338 119.766 1.572 25856 4132 1 11 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.157 -0.070 25856 4133 1 11 . 1 1 52 52 LYS C C 52 176.315 176.315 175.975 0.340 25856 4134 1 11 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.410 -0.758 25856 4135 1 11 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.187 -1.590 25856 4136 1 11 . 1 1 52 52 LYS H H 52 8.410 8.410 8.228 0.182 25856 4137 1 11 . 1 1 53 53 VAL N N 53 114.761 114.761 116.180 -1.419 25856 4138 1 11 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.580 0.670 25856 4139 1 11 . 1 1 53 53 VAL C C 53 174.278 174.278 174.478 -0.200 25856 4140 1 11 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.293 -1.313 25856 4141 1 11 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.334 0.928 25856 4142 1 11 . 1 1 53 53 VAL H H 53 8.693 8.693 9.020 -0.327 25856 4143 1 11 . 1 1 54 54 THR N N 54 117.231 117.231 119.420 -2.189 25856 4144 1 11 . 1 1 54 54 THR HA H 54 4.837 4.837 5.049 -0.212 25856 4145 1 11 . 1 1 54 54 THR C C 54 173.923 173.923 173.239 0.684 25856 4146 1 11 . 1 1 54 54 THR CA C 54 62.448 62.448 62.837 -0.389 25856 4147 1 11 . 1 1 54 54 THR CB C 54 69.891 69.891 69.088 0.803 25856 4148 1 11 . 1 1 54 54 THR H H 54 8.296 8.296 8.732 -0.436 25856 4149 1 11 . 1 1 55 55 VAL N N 55 124.203 124.203 128.262 -4.059 25856 4150 1 11 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.917 -0.085 25856 4151 1 11 . 1 1 55 55 VAL C C 55 174.106 174.106 173.673 0.433 25856 4152 1 11 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.572 -0.021 25856 4153 1 11 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.979 -0.403 25856 4154 1 11 . 1 1 55 55 VAL H H 55 9.331 9.331 9.346 -0.015 25856 4155 1 11 . 1 1 56 56 GLU N N 56 123.984 123.984 130.005 -6.021 25856 4156 1 11 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.076 0.144 25856 4157 1 11 . 1 1 56 56 GLU C C 56 176.645 176.645 175.751 0.894 25856 4158 1 11 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.541 -1.139 25856 4159 1 11 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.796 1.904 25856 4160 1 11 . 1 1 56 56 GLU H H 56 9.143 9.143 9.098 0.045 25856 4161 1 11 . 1 1 57 57 MET N N 57 123.465 123.465 121.256 2.209 25856 4162 1 11 . 1 1 57 57 MET HA H 57 4.795 4.795 5.002 -0.207 25856 4163 1 11 . 1 1 57 57 MET C C 57 174.899 174.899 174.104 0.795 25856 4164 1 11 . 1 1 57 57 MET CA C 57 54.339 54.339 54.400 -0.061 25856 4165 1 11 . 1 1 57 57 MET CB C 57 36.252 36.252 37.118 -0.866 25856 4166 1 11 . 1 1 57 57 MET H H 57 9.173 9.173 9.259 -0.086 25856 4167 1 11 . 1 1 58 58 SER N N 58 117.390 117.390 117.054 0.336 25856 4168 1 11 . 1 1 58 58 SER HA H 58 5.039 5.039 5.156 -0.117 25856 4169 1 11 . 1 1 58 58 SER C C 58 174.693 174.693 174.564 0.129 25856 4170 1 11 . 1 1 58 58 SER CA C 58 54.932 54.932 55.631 -0.699 25856 4171 1 11 . 1 1 58 58 SER CB C 58 64.587 64.587 63.194 1.393 25856 4172 1 11 . 1 1 58 58 SER H H 58 9.184 9.184 8.493 0.691 25856 4173 1 11 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.278 -0.172 25856 4174 1 11 . 1 1 59 59 PRO C C 59 176.290 176.290 176.365 -0.075 25856 4175 1 11 . 1 1 59 59 PRO CA C 59 63.853 63.853 65.322 -1.469 25856 4176 1 11 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.713 0.053 25856 4177 1 11 . 1 1 60 60 TYR N N 60 113.938 113.938 115.853 -1.915 25856 4178 1 11 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.490 -0.001 25856 4179 1 11 . 1 1 60 60 TYR C C 60 175.439 175.439 175.367 0.072 25856 4180 1 11 . 1 1 60 60 TYR CA C 60 57.342 57.342 59.027 -1.685 25856 4181 1 11 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.045 -0.752 25856 4182 1 11 . 1 1 60 60 TYR H H 60 7.307 7.307 8.206 -0.899 25856 4183 1 11 . 1 1 61 61 ASP N N 61 118.283 118.283 119.149 -0.866 25856 4184 1 11 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.563 0.204 25856 4185 1 11 . 1 1 61 61 ASP C C 61 174.996 174.996 178.146 -3.150 25856 4186 1 11 . 1 1 61 61 ASP CA C 61 53.842 53.842 55.143 -1.301 25856 4187 1 11 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.427 -1.005 25856 4188 1 11 . 1 1 61 61 ASP H H 61 7.418 7.418 7.960 -0.542 25856 4189 1 11 . 1 1 62 62 LEU N N 62 124.044 124.044 116.632 7.412 25856 4190 1 11 . 1 1 62 62 LEU HA H 62 4.487 4.487 4.000 0.487 25856 4191 1 11 . 1 1 62 62 LEU C C 62 177.109 177.109 176.421 0.688 25856 4192 1 11 . 1 1 62 62 LEU CA C 62 55.230 55.230 56.624 -1.394 25856 4193 1 11 . 1 1 62 62 LEU CB C 62 40.930 40.930 41.214 -0.284 25856 4194 1 11 . 1 1 62 62 LEU H H 62 8.743 8.743 8.370 0.373 25856 4195 1 11 . 1 1 63 63 THR N N 63 107.624 107.624 112.086 -4.462 25856 4196 1 11 . 1 1 63 63 THR HA H 63 4.608 4.608 4.368 0.240 25856 4197 1 11 . 1 1 63 63 THR C C 63 174.873 174.873 173.477 1.396 25856 4198 1 11 . 1 1 63 63 THR CA C 63 62.686 62.686 62.364 0.322 25856 4199 1 11 . 1 1 63 63 THR CB C 63 70.393 70.393 69.634 0.759 25856 4200 1 11 . 1 1 63 63 THR H H 63 8.415 8.415 7.663 0.752 25856 4201 1 11 . 1 1 64 64 ARG N N 64 120.138 120.138 120.324 -0.186 25856 4202 1 11 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.517 0.102 25856 4203 1 11 . 1 1 64 64 ARG C C 64 174.858 174.858 174.385 0.473 25856 4204 1 11 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.911 0.307 25856 4205 1 11 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.310 1.216 25856 4206 1 11 . 1 1 64 64 ARG H H 64 7.200 7.200 7.696 -0.496 25856 4207 1 11 . 1 1 65 65 GLY N N 65 106.034 106.034 109.746 -3.712 25856 4208 1 11 . 1 1 65 65 GLY C C 65 171.075 171.075 171.965 -0.890 25856 4209 1 11 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.358 -0.005 25856 4210 1 11 . 1 1 65 65 GLY H H 65 8.618 8.618 8.097 0.521 25856 4211 1 11 . 1 1 66 66 ARG N N 66 118.635 118.635 119.275 -0.640 25856 4212 1 11 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.539 -0.553 25856 4213 1 11 . 1 1 66 66 ARG C C 66 175.345 175.345 174.305 1.040 25856 4214 1 11 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.381 -0.690 25856 4215 1 11 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.981 -1.570 25856 4216 1 11 . 1 1 66 66 ARG H H 66 8.621 8.621 8.692 -0.071 25856 4217 1 11 . 1 1 67 67 ILE N N 67 125.220 125.220 126.659 -1.439 25856 4218 1 11 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.992 -0.590 25856 4219 1 11 . 1 1 67 67 ILE C C 67 176.084 176.084 175.888 0.196 25856 4220 1 11 . 1 1 67 67 ILE CA C 67 62.299 62.299 59.850 2.449 25856 4221 1 11 . 1 1 67 67 ILE CB C 67 39.359 39.359 39.029 0.330 25856 4222 1 11 . 1 1 67 67 ILE H H 67 9.083 9.083 9.032 0.051 25856 4223 1 11 . 1 1 68 68 THR N N 68 117.584 117.584 121.367 -3.783 25856 4224 1 11 . 1 1 68 68 THR HA H 68 4.435 4.435 4.612 -0.177 25856 4225 1 11 . 1 1 68 68 THR C C 68 174.406 174.406 173.991 0.415 25856 4226 1 11 . 1 1 68 68 THR CA C 68 61.164 61.164 61.823 -0.659 25856 4227 1 11 . 1 1 68 68 THR CB C 68 69.514 69.514 70.674 -1.160 25856 4228 1 11 . 1 1 68 68 THR H H 68 8.691 8.691 8.483 0.208 25856 4229 1 11 . 1 1 69 69 TYR N N 69 120.904 120.904 122.630 -1.726 25856 4230 1 11 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.910 -0.557 25856 4231 1 11 . 1 1 69 69 TYR C C 69 172.657 172.657 173.194 -0.537 25856 4232 1 11 . 1 1 69 69 TYR CA C 69 58.734 58.734 56.520 2.214 25856 4233 1 11 . 1 1 69 69 TYR CB C 69 41.431 41.431 42.483 -1.052 25856 4234 1 11 . 1 1 69 69 TYR H H 69 7.479 7.479 7.521 -0.042 25856 4235 1 11 . 1 1 70 70 ARG N N 70 125.781 125.781 122.986 2.795 25856 4236 1 11 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.456 0.235 25856 4237 1 11 . 1 1 70 70 ARG C C 70 174.016 174.016 173.479 0.537 25856 4238 1 11 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.986 -0.325 25856 4239 1 11 . 1 1 70 70 ARG CB C 70 31.816 31.816 31.010 0.806 25856 4240 1 11 . 1 1 70 70 ARG H H 70 7.439 7.439 7.745 -0.306 25856 4241 1 11 . 1 1 71 71 TYR N N 71 124.942 124.942 125.956 -1.014 25856 4242 1 11 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.668 -0.417 25856 4243 1 11 . 1 1 71 71 TYR C C 71 175.278 175.278 174.102 1.176 25856 4244 1 11 . 1 1 71 71 TYR CA C 71 58.445 58.445 57.242 1.203 25856 4245 1 11 . 1 1 71 71 TYR CB C 71 38.803 38.803 41.683 -2.880 25856 4246 1 11 . 1 1 71 71 TYR H H 71 8.478 8.478 8.406 0.072 25856 4247 1 12 . 1 1 5 5 ASP N N 5 121.636 121.636 120.129 1.507 25856 4248 1 12 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.450 0.131 25856 4249 1 12 . 1 1 5 5 ASP C C 5 175.317 175.317 175.897 -0.580 25856 4250 1 12 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.260 -0.573 25856 4251 1 12 . 1 1 5 5 ASP CB C 5 41.260 41.260 40.635 0.625 25856 4252 1 12 . 1 1 5 5 ASP H H 5 8.370 8.370 8.627 -0.257 25856 4253 1 12 . 1 1 6 6 VAL N N 6 116.054 116.054 117.582 -1.528 25856 4254 1 12 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.276 0.279 25856 4255 1 12 . 1 1 6 6 VAL C C 6 174.969 174.969 174.588 0.381 25856 4256 1 12 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.341 0.608 25856 4257 1 12 . 1 1 6 6 VAL CB C 6 35.032 35.032 35.734 -0.702 25856 4258 1 12 . 1 1 6 6 VAL H H 6 7.702 7.702 7.566 0.136 25856 4259 1 12 . 1 1 7 7 ILE N N 7 123.240 123.240 124.451 -1.211 25856 4260 1 12 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.450 -0.068 25856 4261 1 12 . 1 1 7 7 ILE C C 7 174.177 174.177 174.904 -0.727 25856 4262 1 12 . 1 1 7 7 ILE CA C 7 60.100 60.100 58.052 2.048 25856 4263 1 12 . 1 1 7 7 ILE CB C 7 40.712 40.712 38.377 2.335 25856 4264 1 12 . 1 1 7 7 ILE H H 7 8.748 8.748 8.936 -0.188 25856 4265 1 12 . 1 1 8 8 GLU N N 8 124.266 124.266 127.322 -3.056 25856 4266 1 12 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.404 -0.054 25856 4267 1 12 . 1 1 8 8 GLU C C 8 175.592 175.592 175.608 -0.016 25856 4268 1 12 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.196 -0.472 25856 4269 1 12 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.641 2.869 25856 4270 1 12 . 1 1 8 8 GLU H H 8 8.236 8.236 8.787 -0.551 25856 4271 1 12 . 1 1 9 9 LEU N N 9 125.462 125.462 124.059 1.403 25856 4272 1 12 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.787 -0.010 25856 4273 1 12 . 1 1 9 9 LEU C C 9 174.654 174.654 175.634 -0.980 25856 4274 1 12 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.240 0.632 25856 4275 1 12 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.479 0.694 25856 4276 1 12 . 1 1 9 9 LEU H H 9 8.947 8.947 9.103 -0.156 25856 4277 1 12 . 1 1 10 10 GLU N N 10 119.884 119.884 118.879 1.005 25856 4278 1 12 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.425 -0.249 25856 4279 1 12 . 1 1 10 10 GLU C C 10 176.424 176.424 175.969 0.455 25856 4280 1 12 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.852 0.420 25856 4281 1 12 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.509 -0.694 25856 4282 1 12 . 1 1 10 10 GLU H H 10 8.697 8.697 8.576 0.121 25856 4283 1 12 . 1 1 11 11 GLY N N 11 107.302 107.302 108.269 -0.967 25856 4284 1 12 . 1 1 11 11 GLY C C 11 171.493 171.493 172.538 -1.045 25856 4285 1 12 . 1 1 11 11 GLY CA C 11 45.682 45.682 44.986 0.696 25856 4286 1 12 . 1 1 11 11 GLY H H 11 8.896 8.896 8.922 -0.026 25856 4287 1 12 . 1 1 12 12 THR N N 12 115.723 115.723 116.422 -0.699 25856 4288 1 12 . 1 1 12 12 THR HA H 12 5.057 5.057 5.199 -0.142 25856 4289 1 12 . 1 1 12 12 THR C C 12 174.347 174.347 173.332 1.015 25856 4290 1 12 . 1 1 12 12 THR CA C 12 61.226 61.226 61.480 -0.254 25856 4291 1 12 . 1 1 12 12 THR CB C 12 71.245 71.245 71.492 -0.247 25856 4292 1 12 . 1 1 12 12 THR H H 12 8.551 8.551 8.925 -0.374 25856 4293 1 12 . 1 1 13 13 VAL N N 13 127.141 127.141 127.144 -0.003 25856 4294 1 12 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.315 -0.515 25856 4295 1 12 . 1 1 13 13 VAL C C 13 175.760 175.760 174.435 1.325 25856 4296 1 12 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.084 3.434 25856 4297 1 12 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.885 -1.330 25856 4298 1 12 . 1 1 13 13 VAL H H 13 9.135 9.135 8.748 0.387 25856 4299 1 12 . 1 1 14 14 LEU N N 14 129.942 129.942 128.617 1.325 25856 4300 1 12 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.513 0.037 25856 4301 1 12 . 1 1 14 14 LEU C C 14 176.277 176.277 177.037 -0.760 25856 4302 1 12 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.526 0.149 25856 4303 1 12 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.995 1.009 25856 4304 1 12 . 1 1 14 14 LEU H H 14 9.536 9.536 8.360 1.176 25856 4305 1 12 . 1 1 15 15 ASP N N 15 113.621 113.621 118.258 -4.637 25856 4306 1 12 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.015 -0.037 25856 4307 1 12 . 1 1 15 15 ASP C C 15 174.864 174.864 174.852 0.012 25856 4308 1 12 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.227 0.090 25856 4309 1 12 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.120 0.650 25856 4310 1 12 . 1 1 15 15 ASP H H 15 7.609 7.609 7.755 -0.146 25856 4311 1 12 . 1 1 16 16 THR N N 16 115.901 115.901 112.640 3.261 25856 4312 1 12 . 1 1 16 16 THR HA H 16 4.298 4.298 4.497 -0.199 25856 4313 1 12 . 1 1 16 16 THR C C 16 172.704 172.704 173.834 -1.130 25856 4314 1 12 . 1 1 16 16 THR CA C 16 60.251 60.251 61.402 -1.151 25856 4315 1 12 . 1 1 16 16 THR CB C 16 69.494 69.494 69.779 -0.285 25856 4316 1 12 . 1 1 16 16 THR H H 16 8.841 8.841 8.274 0.567 25856 4317 1 12 . 1 1 17 17 LEU N N 17 125.747 125.747 124.578 1.169 25856 4318 1 12 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.775 -0.092 25856 4319 1 12 . 1 1 17 17 LEU C C 17 174.509 174.509 175.075 -0.566 25856 4320 1 12 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.269 1.525 25856 4321 1 12 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.702 -0.121 25856 4322 1 12 . 1 1 17 17 LEU H H 17 7.913 7.913 8.149 -0.236 25856 4323 1 12 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.266 0.058 25856 4324 1 12 . 1 1 18 18 PRO C C 18 175.973 175.973 176.393 -0.420 25856 4325 1 12 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.439 -0.290 25856 4326 1 12 . 1 1 18 18 PRO CB C 18 32.228 32.228 31.975 0.253 25856 4327 1 12 . 1 1 19 19 ASN N N 19 115.147 115.147 117.032 -1.885 25856 4328 1 12 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.288 -0.057 25856 4329 1 12 . 1 1 19 19 ASN C C 19 174.180 174.180 174.722 -0.542 25856 4330 1 12 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.745 0.354 25856 4331 1 12 . 1 1 19 19 ASN CB C 19 36.910 36.910 36.721 0.189 25856 4332 1 12 . 1 1 19 19 ASN H H 19 8.598 8.598 8.799 -0.201 25856 4333 1 12 . 1 1 20 20 ALA N N 20 116.191 116.191 113.843 2.348 25856 4334 1 12 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.661 0.140 25856 4335 1 12 . 1 1 20 20 ALA C C 20 174.990 174.990 175.472 -0.482 25856 4336 1 12 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.082 -0.126 25856 4337 1 12 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.930 -1.387 25856 4338 1 12 . 1 1 20 20 ALA H H 20 8.335 8.335 8.136 0.199 25856 4339 1 12 . 1 1 21 21 MET N N 21 113.560 113.560 116.624 -3.064 25856 4340 1 12 . 1 1 21 21 MET HA H 21 5.124 5.124 5.002 0.122 25856 4341 1 12 . 1 1 21 21 MET C C 21 175.205 175.205 174.622 0.583 25856 4342 1 12 . 1 1 21 21 MET CA C 21 54.597 54.597 54.171 0.426 25856 4343 1 12 . 1 1 21 21 MET CB C 21 35.150 35.150 35.581 -0.431 25856 4344 1 12 . 1 1 21 21 MET H H 21 6.302 6.302 7.082 -0.780 25856 4345 1 12 . 1 1 22 22 PHE N N 22 117.199 117.199 118.197 -0.998 25856 4346 1 12 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.879 0.039 25856 4347 1 12 . 1 1 22 22 PHE C C 22 174.697 174.697 173.796 0.901 25856 4348 1 12 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.124 0.008 25856 4349 1 12 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.702 -0.568 25856 4350 1 12 . 1 1 22 22 PHE H H 22 9.007 9.007 9.264 -0.257 25856 4351 1 12 . 1 1 23 23 LYS N N 23 122.934 122.934 124.305 -1.371 25856 4352 1 12 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.939 0.178 25856 4353 1 12 . 1 1 23 23 LYS C C 23 175.853 175.853 174.861 0.992 25856 4354 1 12 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.600 -0.004 25856 4355 1 12 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.530 0.492 25856 4356 1 12 . 1 1 23 23 LYS H H 23 8.340 8.340 8.754 -0.414 25856 4357 1 12 . 1 1 24 24 VAL N N 24 128.487 128.487 126.807 1.680 25856 4358 1 12 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.556 0.085 25856 4359 1 12 . 1 1 24 24 VAL C C 24 173.199 173.199 174.515 -1.316 25856 4360 1 12 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.153 0.552 25856 4361 1 12 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.367 1.242 25856 4362 1 12 . 1 1 24 24 VAL H H 24 9.123 9.123 9.108 0.015 25856 4363 1 12 . 1 1 25 25 GLU N N 25 127.440 127.440 124.360 3.080 25856 4364 1 12 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.188 -0.475 25856 4365 1 12 . 1 1 25 25 GLU C C 25 176.358 176.358 176.230 0.128 25856 4366 1 12 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.763 0.145 25856 4367 1 12 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.099 -0.460 25856 4368 1 12 . 1 1 25 25 GLU H H 25 9.017 9.017 8.911 0.106 25856 4369 1 12 . 1 1 26 26 LEU N N 26 128.629 128.629 124.384 4.245 25856 4370 1 12 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.413 0.391 25856 4371 1 12 . 1 1 26 26 LEU C C 26 179.339 179.339 179.096 0.243 25856 4372 1 12 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.431 -0.609 25856 4373 1 12 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.639 0.929 25856 4374 1 12 . 1 1 26 26 LEU H H 26 9.101 9.101 8.857 0.244 25856 4375 1 12 . 1 1 27 27 GLU N N 27 119.613 119.613 121.260 -1.647 25856 4376 1 12 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.114 0.048 25856 4377 1 12 . 1 1 27 27 GLU C C 27 175.724 175.724 177.782 -2.058 25856 4378 1 12 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.080 -0.691 25856 4379 1 12 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.142 0.540 25856 4380 1 12 . 1 1 27 27 GLU H H 27 8.794 8.794 8.823 -0.029 25856 4381 1 12 . 1 1 28 28 ASN N N 28 114.625 114.625 116.983 -2.358 25856 4382 1 12 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.625 -0.014 25856 4383 1 12 . 1 1 28 28 ASN C C 28 176.299 176.299 176.147 0.152 25856 4384 1 12 . 1 1 28 28 ASN CA C 28 52.481 52.481 52.597 -0.116 25856 4385 1 12 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.047 -0.341 25856 4386 1 12 . 1 1 28 28 ASN H H 28 7.183 7.183 8.123 -0.940 25856 4387 1 12 . 1 1 29 29 GLY N N 29 107.903 107.903 105.381 2.522 25856 4388 1 12 . 1 1 29 29 GLY C C 29 174.243 174.243 174.068 0.175 25856 4389 1 12 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.773 -0.466 25856 4390 1 12 . 1 1 29 29 GLY H H 29 6.899 6.899 7.701 -0.802 25856 4391 1 12 . 1 1 30 30 HIS N N 30 118.953 118.953 118.724 0.229 25856 4392 1 12 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.710 -0.046 25856 4393 1 12 . 1 1 30 30 HIS C C 30 173.476 173.476 173.600 -0.124 25856 4394 1 12 . 1 1 30 30 HIS CA C 30 55.947 55.947 54.387 1.560 25856 4395 1 12 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.615 -1.454 25856 4396 1 12 . 1 1 30 30 HIS H H 30 7.739 7.739 7.878 -0.139 25856 4397 1 12 . 1 1 31 31 GLU N N 31 123.512 123.512 122.402 1.110 25856 4398 1 12 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.782 0.459 25856 4399 1 12 . 1 1 31 31 GLU C C 31 176.181 176.181 174.811 1.370 25856 4400 1 12 . 1 1 31 31 GLU CA C 31 55.088 55.088 54.657 0.431 25856 4401 1 12 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.470 1.413 25856 4402 1 12 . 1 1 31 31 GLU H H 31 8.495 8.495 7.815 0.680 25856 4403 1 12 . 1 1 32 32 ILE N N 32 117.654 117.654 116.846 0.808 25856 4404 1 12 . 1 1 32 32 ILE HA H 32 4.714 4.714 5.419 -0.705 25856 4405 1 12 . 1 1 32 32 ILE C C 32 174.438 174.438 174.229 0.209 25856 4406 1 12 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.291 -0.101 25856 4407 1 12 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.635 1.599 25856 4408 1 12 . 1 1 32 32 ILE H H 32 9.005 9.005 9.130 -0.126 25856 4409 1 12 . 1 1 33 33 LEU N N 33 122.166 122.166 125.845 -3.679 25856 4410 1 12 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.108 0.109 25856 4411 1 12 . 1 1 33 33 LEU C C 33 176.190 176.190 175.927 0.263 25856 4412 1 12 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.478 0.365 25856 4413 1 12 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.861 0.897 25856 4414 1 12 . 1 1 33 33 LEU H H 33 7.713 7.713 8.045 -0.332 25856 4415 1 12 . 1 1 34 34 ALA N N 34 125.096 125.096 126.139 -1.043 25856 4416 1 12 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.338 0.154 25856 4417 1 12 . 1 1 34 34 ALA C C 34 175.700 175.700 175.668 0.032 25856 4418 1 12 . 1 1 34 34 ALA CA C 34 50.257 50.257 49.759 0.498 25856 4419 1 12 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.064 0.087 25856 4420 1 12 . 1 1 34 34 ALA H H 34 9.442 9.442 9.132 0.310 25856 4421 1 12 . 1 1 35 35 HIS N N 35 117.670 117.670 119.266 -1.596 25856 4422 1 12 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.044 0.464 25856 4423 1 12 . 1 1 35 35 HIS C C 35 174.787 174.787 175.610 -0.823 25856 4424 1 12 . 1 1 35 35 HIS CA C 35 54.429 54.429 55.094 -0.665 25856 4425 1 12 . 1 1 35 35 HIS CB C 35 33.178 33.178 31.790 1.388 25856 4426 1 12 . 1 1 35 35 HIS H H 35 7.751 7.751 8.401 -0.650 25856 4427 1 12 . 1 1 36 36 VAL N N 36 119.236 119.236 120.328 -1.092 25856 4428 1 12 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.478 -0.076 25856 4429 1 12 . 1 1 36 36 VAL C C 36 175.551 175.551 176.027 -0.476 25856 4430 1 12 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.560 0.773 25856 4431 1 12 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.861 0.528 25856 4432 1 12 . 1 1 36 36 VAL H H 36 9.217 9.217 8.349 0.868 25856 4433 1 12 . 1 1 37 37 SER N N 37 119.884 119.884 120.138 -0.254 25856 4434 1 12 . 1 1 37 37 SER HA H 37 4.425 4.425 4.390 0.035 25856 4435 1 12 . 1 1 37 37 SER C C 37 175.003 175.003 176.214 -1.211 25856 4436 1 12 . 1 1 37 37 SER CA C 37 57.971 57.971 58.822 -0.850 25856 4437 1 12 . 1 1 37 37 SER CB C 37 64.761 64.761 63.987 0.774 25856 4438 1 12 . 1 1 37 37 SER H H 37 8.375 8.375 8.415 -0.040 25856 4439 1 12 . 1 1 38 38 GLY N N 38 122.166 122.166 108.602 13.564 25856 4440 1 12 . 1 1 38 38 GLY C C 38 175.253 175.253 175.995 -0.742 25856 4441 1 12 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.664 0.090 25856 4442 1 12 . 1 1 38 38 GLY H H 38 8.822 8.822 8.941 -0.119 25856 4443 1 12 . 1 1 39 39 LYS N N 39 120.070 120.070 121.899 -1.829 25856 4444 1 12 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.083 -0.026 25856 4445 1 12 . 1 1 39 39 LYS C C 39 177.734 177.734 178.454 -0.720 25856 4446 1 12 . 1 1 39 39 LYS CA C 39 58.036 58.036 59.427 -1.391 25856 4447 1 12 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.506 0.482 25856 4448 1 12 . 1 1 39 39 LYS H H 39 8.135 8.135 7.438 0.697 25856 4449 1 12 . 1 1 40 40 ILE N N 40 117.925 117.925 117.958 -0.033 25856 4450 1 12 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.908 0.122 25856 4451 1 12 . 1 1 40 40 ILE C C 40 176.736 176.736 177.422 -0.686 25856 4452 1 12 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.525 -1.768 25856 4453 1 12 . 1 1 40 40 ILE CB C 40 37.802 37.802 37.798 0.004 25856 4454 1 12 . 1 1 40 40 ILE H H 40 7.416 7.416 7.669 -0.253 25856 4455 1 12 . 1 1 41 41 ARG N N 41 122.141 122.141 119.529 2.612 25856 4456 1 12 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.015 0.091 25856 4457 1 12 . 1 1 41 41 ARG C C 41 177.543 177.543 178.662 -1.119 25856 4458 1 12 . 1 1 41 41 ARG CA C 41 58.036 58.036 59.750 -1.714 25856 4459 1 12 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.422 -0.312 25856 4460 1 12 . 1 1 41 41 ARG H H 41 7.912 7.912 7.558 0.354 25856 4461 1 12 . 1 1 42 42 MET N N 42 118.223 118.223 115.405 2.818 25856 4462 1 12 . 1 1 42 42 MET HA H 42 4.281 4.281 4.306 -0.025 25856 4463 1 12 . 1 1 42 42 MET C C 42 175.862 175.862 177.228 -1.366 25856 4464 1 12 . 1 1 42 42 MET CA C 42 56.299 56.299 56.972 -0.673 25856 4465 1 12 . 1 1 42 42 MET CB C 42 32.465 32.465 32.568 -0.103 25856 4466 1 12 . 1 1 42 42 MET H H 42 8.090 8.090 7.722 0.368 25856 4467 1 12 . 1 1 43 43 ASN N N 43 117.020 117.020 119.003 -1.983 25856 4468 1 12 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.773 -0.151 25856 4469 1 12 . 1 1 43 43 ASN C C 43 174.616 174.616 174.977 -0.361 25856 4470 1 12 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.732 0.544 25856 4471 1 12 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.226 -1.395 25856 4472 1 12 . 1 1 43 43 ASN H H 43 7.843 7.843 7.879 -0.036 25856 4473 1 12 . 1 1 44 44 TYR N N 44 117.998 117.998 118.875 -0.877 25856 4474 1 12 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.607 -0.260 25856 4475 1 12 . 1 1 44 44 TYR C C 44 175.211 175.211 177.085 -1.874 25856 4476 1 12 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.301 0.351 25856 4477 1 12 . 1 1 44 44 TYR CB C 44 37.603 37.603 37.937 -0.334 25856 4478 1 12 . 1 1 44 44 TYR H H 44 7.712 7.712 8.828 -1.116 25856 4479 1 12 . 1 1 45 45 ILE N N 45 120.711 120.711 116.817 3.894 25856 4480 1 12 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.182 -0.239 25856 4481 1 12 . 1 1 45 45 ILE C C 45 173.895 173.895 175.338 -1.443 25856 4482 1 12 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.676 0.578 25856 4483 1 12 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.672 2.902 25856 4484 1 12 . 1 1 45 45 ILE H H 45 7.466 7.466 7.960 -0.494 25856 4485 1 12 . 1 1 46 46 ARG N N 46 124.912 124.912 121.346 3.566 25856 4486 1 12 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.284 0.100 25856 4487 1 12 . 1 1 46 46 ARG C C 46 174.759 174.759 175.599 -0.840 25856 4488 1 12 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.216 0.318 25856 4489 1 12 . 1 1 46 46 ARG CB C 46 30.762 30.762 31.575 -0.813 25856 4490 1 12 . 1 1 46 46 ARG H H 46 8.077 8.077 7.569 0.508 25856 4491 1 12 . 1 1 47 47 ILE N N 47 125.326 125.326 121.026 4.300 25856 4492 1 12 . 1 1 47 47 ILE HA H 47 4.024 4.024 3.956 0.068 25856 4493 1 12 . 1 1 47 47 ILE C C 47 173.922 173.922 175.314 -1.392 25856 4494 1 12 . 1 1 47 47 ILE CA C 47 60.862 60.862 60.764 0.098 25856 4495 1 12 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.939 -0.213 25856 4496 1 12 . 1 1 47 47 ILE H H 47 7.966 7.966 7.996 -0.030 25856 4497 1 12 . 1 1 48 48 LEU N N 48 128.989 128.989 129.741 -0.752 25856 4498 1 12 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.900 -0.036 25856 4499 1 12 . 1 1 48 48 LEU C C 48 174.217 174.217 174.277 -0.060 25856 4500 1 12 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.291 0.424 25856 4501 1 12 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.671 -1.148 25856 4502 1 12 . 1 1 48 48 LEU H H 48 8.765 8.765 9.459 -0.694 25856 4503 1 12 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.197 -0.339 25856 4504 1 12 . 1 1 49 49 PRO C C 49 176.960 176.960 177.622 -0.662 25856 4505 1 12 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.296 -0.355 25856 4506 1 12 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.493 -0.237 25856 4507 1 12 . 1 1 50 50 GLY N N 50 114.638 114.638 114.314 0.324 25856 4508 1 12 . 1 1 50 50 GLY C C 50 174.448 174.448 174.583 -0.135 25856 4509 1 12 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.760 -0.053 25856 4510 1 12 . 1 1 50 50 GLY H H 50 9.317 9.317 9.050 0.267 25856 4511 1 12 . 1 1 51 51 ASP N N 51 121.882 121.882 122.368 -0.486 25856 4512 1 12 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.528 0.005 25856 4513 1 12 . 1 1 51 51 ASP C C 51 175.327 175.327 174.800 0.527 25856 4514 1 12 . 1 1 51 51 ASP CA C 51 55.393 55.393 55.558 -0.165 25856 4515 1 12 . 1 1 51 51 ASP CB C 51 41.197 41.197 41.836 -0.639 25856 4516 1 12 . 1 1 51 51 ASP H H 51 8.099 8.099 8.226 -0.127 25856 4517 1 12 . 1 1 52 52 LYS N N 52 121.338 121.338 123.173 -1.835 25856 4518 1 12 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.140 -0.053 25856 4519 1 12 . 1 1 52 52 LYS C C 52 176.315 176.315 175.569 0.746 25856 4520 1 12 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.280 -0.628 25856 4521 1 12 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.137 -1.540 25856 4522 1 12 . 1 1 52 52 LYS H H 52 8.410 8.410 8.585 -0.175 25856 4523 1 12 . 1 1 53 53 VAL N N 53 114.761 114.761 122.484 -7.723 25856 4524 1 12 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.575 0.675 25856 4525 1 12 . 1 1 53 53 VAL C C 53 174.278 174.278 174.353 -0.075 25856 4526 1 12 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.154 -1.174 25856 4527 1 12 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.036 1.226 25856 4528 1 12 . 1 1 53 53 VAL H H 53 8.693 8.693 9.123 -0.430 25856 4529 1 12 . 1 1 54 54 THR N N 54 117.231 117.231 119.819 -2.588 25856 4530 1 12 . 1 1 54 54 THR HA H 54 4.837 4.837 4.888 -0.051 25856 4531 1 12 . 1 1 54 54 THR C C 54 173.923 173.923 173.194 0.729 25856 4532 1 12 . 1 1 54 54 THR CA C 54 62.448 62.448 62.469 -0.021 25856 4533 1 12 . 1 1 54 54 THR CB C 54 69.891 69.891 69.212 0.679 25856 4534 1 12 . 1 1 54 54 THR H H 54 8.296 8.296 8.891 -0.595 25856 4535 1 12 . 1 1 55 55 VAL N N 55 124.203 124.203 127.138 -2.935 25856 4536 1 12 . 1 1 55 55 VAL HA H 55 4.832 4.832 5.013 -0.181 25856 4537 1 12 . 1 1 55 55 VAL C C 55 174.106 174.106 173.760 0.346 25856 4538 1 12 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.292 0.259 25856 4539 1 12 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.890 -0.314 25856 4540 1 12 . 1 1 55 55 VAL H H 55 9.331 9.331 9.329 0.002 25856 4541 1 12 . 1 1 56 56 GLU N N 56 123.984 123.984 130.196 -6.212 25856 4542 1 12 . 1 1 56 56 GLU HA H 56 5.220 5.220 4.885 0.335 25856 4543 1 12 . 1 1 56 56 GLU C C 56 176.645 176.645 175.086 1.559 25856 4544 1 12 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.320 -0.918 25856 4545 1 12 . 1 1 56 56 GLU CB C 56 32.700 32.700 31.432 1.268 25856 4546 1 12 . 1 1 56 56 GLU H H 56 9.143 9.143 9.203 -0.060 25856 4547 1 12 . 1 1 57 57 MET N N 57 123.465 123.465 122.372 1.093 25856 4548 1 12 . 1 1 57 57 MET HA H 57 4.795 4.795 4.996 -0.201 25856 4549 1 12 . 1 1 57 57 MET C C 57 174.899 174.899 174.719 0.180 25856 4550 1 12 . 1 1 57 57 MET CA C 57 54.339 54.339 54.201 0.138 25856 4551 1 12 . 1 1 57 57 MET CB C 57 36.252 36.252 36.700 -0.448 25856 4552 1 12 . 1 1 57 57 MET H H 57 9.173 9.173 9.240 -0.067 25856 4553 1 12 . 1 1 58 58 SER N N 58 117.390 117.390 117.584 -0.194 25856 4554 1 12 . 1 1 58 58 SER HA H 58 5.039 5.039 4.662 0.377 25856 4555 1 12 . 1 1 58 58 SER C C 58 174.693 174.693 174.764 -0.071 25856 4556 1 12 . 1 1 58 58 SER CA C 58 54.932 54.932 57.247 -2.315 25856 4557 1 12 . 1 1 58 58 SER CB C 58 64.587 64.587 62.942 1.645 25856 4558 1 12 . 1 1 58 58 SER H H 58 9.184 9.184 9.001 0.183 25856 4559 1 12 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.379 -0.273 25856 4560 1 12 . 1 1 59 59 PRO C C 59 176.290 176.290 176.790 -0.500 25856 4561 1 12 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.680 -0.827 25856 4562 1 12 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.950 -0.184 25856 4563 1 12 . 1 1 60 60 TYR N N 60 113.938 113.938 115.777 -1.839 25856 4564 1 12 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.675 -0.186 25856 4565 1 12 . 1 1 60 60 TYR C C 60 175.439 175.439 175.422 0.017 25856 4566 1 12 . 1 1 60 60 TYR CA C 60 57.342 57.342 57.859 -0.517 25856 4567 1 12 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.430 -1.137 25856 4568 1 12 . 1 1 60 60 TYR H H 60 7.307 7.307 8.112 -0.805 25856 4569 1 12 . 1 1 61 61 ASP N N 61 118.283 118.283 120.295 -2.012 25856 4570 1 12 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.555 0.212 25856 4571 1 12 . 1 1 61 61 ASP C C 61 174.996 174.996 176.596 -1.600 25856 4572 1 12 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.911 -1.069 25856 4573 1 12 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.092 -1.670 25856 4574 1 12 . 1 1 61 61 ASP H H 61 7.418 7.418 8.066 -0.648 25856 4575 1 12 . 1 1 62 62 LEU N N 62 124.044 124.044 117.519 6.525 25856 4576 1 12 . 1 1 62 62 LEU HA H 62 4.487 4.487 4.012 0.475 25856 4577 1 12 . 1 1 62 62 LEU C C 62 177.109 177.109 177.146 -0.037 25856 4578 1 12 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.977 -0.747 25856 4579 1 12 . 1 1 62 62 LEU CB C 62 40.930 40.930 40.264 0.666 25856 4580 1 12 . 1 1 62 62 LEU H H 62 8.743 8.743 8.415 0.328 25856 4581 1 12 . 1 1 63 63 THR N N 63 107.624 107.624 112.301 -4.677 25856 4582 1 12 . 1 1 63 63 THR HA H 63 4.608 4.608 4.568 0.040 25856 4583 1 12 . 1 1 63 63 THR C C 63 174.873 174.873 173.555 1.318 25856 4584 1 12 . 1 1 63 63 THR CA C 63 62.686 62.686 62.718 -0.032 25856 4585 1 12 . 1 1 63 63 THR CB C 63 70.393 70.393 70.459 -0.066 25856 4586 1 12 . 1 1 63 63 THR H H 63 8.415 8.415 9.086 -0.671 25856 4587 1 12 . 1 1 64 64 ARG N N 64 120.138 120.138 119.982 0.156 25856 4588 1 12 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.170 0.449 25856 4589 1 12 . 1 1 64 64 ARG C C 64 174.858 174.858 175.429 -0.571 25856 4590 1 12 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.371 0.847 25856 4591 1 12 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.922 0.604 25856 4592 1 12 . 1 1 64 64 ARG H H 64 7.200 7.200 8.936 -1.736 25856 4593 1 12 . 1 1 65 65 GLY N N 65 106.034 106.034 106.726 -0.692 25856 4594 1 12 . 1 1 65 65 GLY C C 65 171.075 171.075 171.930 -0.855 25856 4595 1 12 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.577 -0.224 25856 4596 1 12 . 1 1 65 65 GLY H H 65 8.618 8.618 8.761 -0.143 25856 4597 1 12 . 1 1 66 66 ARG N N 66 118.635 118.635 119.158 -0.523 25856 4598 1 12 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.607 -0.622 25856 4599 1 12 . 1 1 66 66 ARG C C 66 175.345 175.345 174.405 0.940 25856 4600 1 12 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.256 -0.565 25856 4601 1 12 . 1 1 66 66 ARG CB C 66 33.411 33.411 35.053 -1.643 25856 4602 1 12 . 1 1 66 66 ARG H H 66 8.621 8.621 8.820 -0.199 25856 4603 1 12 . 1 1 67 67 ILE N N 67 125.220 125.220 127.437 -2.217 25856 4604 1 12 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.764 -0.362 25856 4605 1 12 . 1 1 67 67 ILE C C 67 176.084 176.084 176.630 -0.546 25856 4606 1 12 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.971 1.328 25856 4607 1 12 . 1 1 67 67 ILE CB C 67 39.359 39.359 38.306 1.053 25856 4608 1 12 . 1 1 67 67 ILE H H 67 9.083 9.083 9.165 -0.082 25856 4609 1 12 . 1 1 68 68 THR N N 68 117.584 117.584 121.977 -4.393 25856 4610 1 12 . 1 1 68 68 THR HA H 68 4.435 4.435 4.510 -0.075 25856 4611 1 12 . 1 1 68 68 THR C C 68 174.406 174.406 174.102 0.304 25856 4612 1 12 . 1 1 68 68 THR CA C 68 61.164 61.164 62.985 -1.821 25856 4613 1 12 . 1 1 68 68 THR CB C 68 69.514 69.514 70.513 -0.998 25856 4614 1 12 . 1 1 68 68 THR H H 68 8.691 8.691 8.463 0.228 25856 4615 1 12 . 1 1 69 69 TYR N N 69 120.904 120.904 121.017 -0.113 25856 4616 1 12 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.674 -0.321 25856 4617 1 12 . 1 1 69 69 TYR C C 69 172.657 172.657 172.894 -0.237 25856 4618 1 12 . 1 1 69 69 TYR CA C 69 58.734 58.734 58.138 0.596 25856 4619 1 12 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.692 -0.261 25856 4620 1 12 . 1 1 69 69 TYR H H 69 7.479 7.479 7.572 -0.093 25856 4621 1 12 . 1 1 70 70 ARG N N 70 125.781 125.781 123.604 2.177 25856 4622 1 12 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.394 0.297 25856 4623 1 12 . 1 1 70 70 ARG C C 70 174.016 174.016 173.602 0.414 25856 4624 1 12 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.649 0.012 25856 4625 1 12 . 1 1 70 70 ARG CB C 70 31.816 31.816 31.992 -0.176 25856 4626 1 12 . 1 1 70 70 ARG H H 70 7.439 7.439 8.047 -0.608 25856 4627 1 12 . 1 1 71 71 TYR N N 71 124.942 124.942 126.933 -1.991 25856 4628 1 12 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.428 -0.177 25856 4629 1 12 . 1 1 71 71 TYR C C 71 175.278 175.278 173.733 1.545 25856 4630 1 12 . 1 1 71 71 TYR CA C 71 58.445 58.445 57.440 1.005 25856 4631 1 12 . 1 1 71 71 TYR CB C 71 38.803 38.803 40.957 -2.154 25856 4632 1 12 . 1 1 71 71 TYR H H 71 8.478 8.478 8.773 -0.295 25856 4633 1 13 . 1 1 5 5 ASP N N 5 121.636 121.636 123.447 -1.811 25856 4634 1 13 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.542 0.039 25856 4635 1 13 . 1 1 5 5 ASP C C 5 175.317 175.317 175.976 -0.659 25856 4636 1 13 . 1 1 5 5 ASP CA C 5 54.687 54.687 56.750 -2.063 25856 4637 1 13 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.353 -0.093 25856 4638 1 13 . 1 1 5 5 ASP H H 5 8.370 8.370 8.595 -0.225 25856 4639 1 13 . 1 1 6 6 VAL N N 6 116.054 116.054 116.614 -0.560 25856 4640 1 13 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.324 0.231 25856 4641 1 13 . 1 1 6 6 VAL C C 6 174.969 174.969 173.979 0.990 25856 4642 1 13 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.292 0.657 25856 4643 1 13 . 1 1 6 6 VAL CB C 6 35.032 35.032 34.527 0.505 25856 4644 1 13 . 1 1 6 6 VAL H H 6 7.702 7.702 7.520 0.182 25856 4645 1 13 . 1 1 7 7 ILE N N 7 123.240 123.240 124.857 -1.617 25856 4646 1 13 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.330 0.052 25856 4647 1 13 . 1 1 7 7 ILE C C 7 174.177 174.177 174.544 -0.367 25856 4648 1 13 . 1 1 7 7 ILE CA C 7 60.100 60.100 60.450 -0.350 25856 4649 1 13 . 1 1 7 7 ILE CB C 7 40.712 40.712 38.945 1.767 25856 4650 1 13 . 1 1 7 7 ILE H H 7 8.748 8.748 9.226 -0.478 25856 4651 1 13 . 1 1 8 8 GLU N N 8 124.266 124.266 127.959 -3.693 25856 4652 1 13 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.056 0.294 25856 4653 1 13 . 1 1 8 8 GLU C C 8 175.592 175.592 175.595 -0.003 25856 4654 1 13 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.655 -0.931 25856 4655 1 13 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.372 3.138 25856 4656 1 13 . 1 1 8 8 GLU H H 8 8.236 8.236 8.780 -0.544 25856 4657 1 13 . 1 1 9 9 LEU N N 9 125.462 125.462 125.841 -0.379 25856 4658 1 13 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.883 -0.106 25856 4659 1 13 . 1 1 9 9 LEU C C 9 174.654 174.654 175.138 -0.484 25856 4660 1 13 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.428 0.444 25856 4661 1 13 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.895 0.278 25856 4662 1 13 . 1 1 9 9 LEU H H 9 8.947 8.947 8.908 0.039 25856 4663 1 13 . 1 1 10 10 GLU N N 10 119.884 119.884 118.190 1.694 25856 4664 1 13 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.406 -0.230 25856 4665 1 13 . 1 1 10 10 GLU C C 10 176.424 176.424 175.630 0.794 25856 4666 1 13 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.580 0.692 25856 4667 1 13 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.898 -1.083 25856 4668 1 13 . 1 1 10 10 GLU H H 10 8.697 8.697 8.583 0.114 25856 4669 1 13 . 1 1 11 11 GLY N N 11 107.302 107.302 106.821 0.481 25856 4670 1 13 . 1 1 11 11 GLY C C 11 171.493 171.493 172.624 -1.131 25856 4671 1 13 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.330 0.352 25856 4672 1 13 . 1 1 11 11 GLY H H 11 8.896 8.896 8.859 0.037 25856 4673 1 13 . 1 1 12 12 THR N N 12 115.723 115.723 117.118 -1.395 25856 4674 1 13 . 1 1 12 12 THR HA H 12 5.057 5.057 4.959 0.098 25856 4675 1 13 . 1 1 12 12 THR C C 12 174.347 174.347 174.003 0.344 25856 4676 1 13 . 1 1 12 12 THR CA C 12 61.226 61.226 62.540 -1.314 25856 4677 1 13 . 1 1 12 12 THR CB C 12 71.245 71.245 70.243 1.002 25856 4678 1 13 . 1 1 12 12 THR H H 12 8.551 8.551 8.355 0.196 25856 4679 1 13 . 1 1 13 13 VAL N N 13 127.141 127.141 126.803 0.338 25856 4680 1 13 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.128 -0.328 25856 4681 1 13 . 1 1 13 13 VAL C C 13 175.760 175.760 174.144 1.616 25856 4682 1 13 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.879 2.639 25856 4683 1 13 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.040 -1.485 25856 4684 1 13 . 1 1 13 13 VAL H H 13 9.135 9.135 9.058 0.077 25856 4685 1 13 . 1 1 14 14 LEU N N 14 129.942 129.942 129.501 0.441 25856 4686 1 13 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.540 0.010 25856 4687 1 13 . 1 1 14 14 LEU C C 14 176.277 176.277 176.678 -0.401 25856 4688 1 13 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.848 -0.173 25856 4689 1 13 . 1 1 14 14 LEU CB C 14 44.004 44.004 43.072 0.932 25856 4690 1 13 . 1 1 14 14 LEU H H 14 9.536 9.536 8.617 0.919 25856 4691 1 13 . 1 1 15 15 ASP N N 15 113.621 113.621 118.761 -5.140 25856 4692 1 13 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.010 -0.032 25856 4693 1 13 . 1 1 15 15 ASP C C 15 174.864 174.864 174.612 0.252 25856 4694 1 13 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.314 0.003 25856 4695 1 13 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.404 0.366 25856 4696 1 13 . 1 1 15 15 ASP H H 15 7.609 7.609 7.947 -0.338 25856 4697 1 13 . 1 1 16 16 THR N N 16 115.901 115.901 113.257 2.644 25856 4698 1 13 . 1 1 16 16 THR HA H 16 4.298 4.298 4.489 -0.191 25856 4699 1 13 . 1 1 16 16 THR C C 16 172.704 172.704 173.899 -1.195 25856 4700 1 13 . 1 1 16 16 THR CA C 16 60.251 60.251 61.721 -1.470 25856 4701 1 13 . 1 1 16 16 THR CB C 16 69.494 69.494 69.355 0.140 25856 4702 1 13 . 1 1 16 16 THR H H 16 8.841 8.841 8.283 0.558 25856 4703 1 13 . 1 1 17 17 LEU N N 17 125.747 125.747 125.636 0.111 25856 4704 1 13 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.787 -0.104 25856 4705 1 13 . 1 1 17 17 LEU C C 17 174.509 174.509 175.193 -0.684 25856 4706 1 13 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.349 1.445 25856 4707 1 13 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.869 -0.288 25856 4708 1 13 . 1 1 17 17 LEU H H 17 7.913 7.913 7.623 0.290 25856 4709 1 13 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.355 -0.031 25856 4710 1 13 . 1 1 18 18 PRO C C 18 175.973 175.973 176.507 -0.534 25856 4711 1 13 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.139 0.010 25856 4712 1 13 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.125 0.103 25856 4713 1 13 . 1 1 19 19 ASN N N 19 115.147 115.147 116.768 -1.621 25856 4714 1 13 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.316 -0.085 25856 4715 1 13 . 1 1 19 19 ASN C C 19 174.180 174.180 174.908 -0.728 25856 4716 1 13 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.578 0.521 25856 4717 1 13 . 1 1 19 19 ASN CB C 19 36.910 36.910 36.703 0.207 25856 4718 1 13 . 1 1 19 19 ASN H H 19 8.598 8.598 8.747 -0.149 25856 4719 1 13 . 1 1 20 20 ALA N N 20 116.191 116.191 113.680 2.511 25856 4720 1 13 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.682 0.119 25856 4721 1 13 . 1 1 20 20 ALA C C 20 174.990 174.990 175.189 -0.199 25856 4722 1 13 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.953 0.004 25856 4723 1 13 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.844 -1.301 25856 4724 1 13 . 1 1 20 20 ALA H H 20 8.335 8.335 8.291 0.044 25856 4725 1 13 . 1 1 21 21 MET N N 21 113.560 113.560 116.381 -2.821 25856 4726 1 13 . 1 1 21 21 MET HA H 21 5.124 5.124 5.043 0.081 25856 4727 1 13 . 1 1 21 21 MET C C 21 175.205 175.205 174.334 0.871 25856 4728 1 13 . 1 1 21 21 MET CA C 21 54.597 54.597 54.224 0.373 25856 4729 1 13 . 1 1 21 21 MET CB C 21 35.150 35.150 36.158 -1.008 25856 4730 1 13 . 1 1 21 21 MET H H 21 6.302 6.302 7.055 -0.753 25856 4731 1 13 . 1 1 22 22 PHE N N 22 117.199 117.199 119.295 -2.096 25856 4732 1 13 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.814 0.104 25856 4733 1 13 . 1 1 22 22 PHE C C 22 174.697 174.697 173.686 1.011 25856 4734 1 13 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.254 -0.122 25856 4735 1 13 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.820 -0.686 25856 4736 1 13 . 1 1 22 22 PHE H H 22 9.007 9.007 9.431 -0.424 25856 4737 1 13 . 1 1 23 23 LYS N N 23 122.934 122.934 124.659 -1.725 25856 4738 1 13 . 1 1 23 23 LYS HA H 23 5.117 5.117 5.090 0.027 25856 4739 1 13 . 1 1 23 23 LYS C C 23 175.853 175.853 174.972 0.881 25856 4740 1 13 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.516 0.080 25856 4741 1 13 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.497 0.525 25856 4742 1 13 . 1 1 23 23 LYS H H 23 8.340 8.340 8.750 -0.410 25856 4743 1 13 . 1 1 24 24 VAL N N 24 128.487 128.487 126.197 2.290 25856 4744 1 13 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.567 0.074 25856 4745 1 13 . 1 1 24 24 VAL C C 24 173.199 173.199 174.167 -0.968 25856 4746 1 13 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.359 0.346 25856 4747 1 13 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.683 0.926 25856 4748 1 13 . 1 1 24 24 VAL H H 24 9.123 9.123 8.984 0.139 25856 4749 1 13 . 1 1 25 25 GLU N N 25 127.440 127.440 124.612 2.828 25856 4750 1 13 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.095 -0.382 25856 4751 1 13 . 1 1 25 25 GLU C C 25 176.358 176.358 175.330 1.028 25856 4752 1 13 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.194 0.713 25856 4753 1 13 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.969 -1.330 25856 4754 1 13 . 1 1 25 25 GLU H H 25 9.017 9.017 9.090 -0.073 25856 4755 1 13 . 1 1 26 26 LEU N N 26 128.629 128.629 127.012 1.617 25856 4756 1 13 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.277 0.527 25856 4757 1 13 . 1 1 26 26 LEU C C 26 179.339 179.339 178.232 1.107 25856 4758 1 13 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.521 -0.699 25856 4759 1 13 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.608 0.960 25856 4760 1 13 . 1 1 26 26 LEU H H 26 9.101 9.101 9.255 -0.154 25856 4761 1 13 . 1 1 27 27 GLU N N 27 119.613 119.613 122.618 -3.005 25856 4762 1 13 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.077 0.085 25856 4763 1 13 . 1 1 27 27 GLU C C 27 175.724 175.724 177.487 -1.763 25856 4764 1 13 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.785 -0.396 25856 4765 1 13 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.097 0.585 25856 4766 1 13 . 1 1 27 27 GLU H H 27 8.794 8.794 8.921 -0.127 25856 4767 1 13 . 1 1 28 28 ASN N N 28 114.625 114.625 116.088 -1.463 25856 4768 1 13 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.736 -0.125 25856 4769 1 13 . 1 1 28 28 ASN C C 28 176.299 176.299 176.117 0.182 25856 4770 1 13 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.028 -0.547 25856 4771 1 13 . 1 1 28 28 ASN CB C 28 37.706 37.706 39.105 -1.399 25856 4772 1 13 . 1 1 28 28 ASN H H 28 7.183 7.183 7.802 -0.619 25856 4773 1 13 . 1 1 29 29 GLY N N 29 107.903 107.903 107.898 0.005 25856 4774 1 13 . 1 1 29 29 GLY C C 29 174.243 174.243 173.656 0.587 25856 4775 1 13 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.180 0.127 25856 4776 1 13 . 1 1 29 29 GLY H H 29 6.899 6.899 8.274 -1.375 25856 4777 1 13 . 1 1 30 30 HIS N N 30 118.953 118.953 121.856 -2.903 25856 4778 1 13 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.782 -0.118 25856 4779 1 13 . 1 1 30 30 HIS C C 30 173.476 173.476 173.481 -0.005 25856 4780 1 13 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.188 0.759 25856 4781 1 13 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.541 -1.380 25856 4782 1 13 . 1 1 30 30 HIS H H 30 7.739 7.739 7.827 -0.088 25856 4783 1 13 . 1 1 31 31 GLU N N 31 123.512 123.512 125.808 -2.296 25856 4784 1 13 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.027 0.214 25856 4785 1 13 . 1 1 31 31 GLU C C 31 176.181 176.181 175.585 0.596 25856 4786 1 13 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.202 -0.113 25856 4787 1 13 . 1 1 31 31 GLU CB C 31 31.883 31.883 31.058 0.825 25856 4788 1 13 . 1 1 31 31 GLU H H 31 8.495 8.495 8.634 -0.139 25856 4789 1 13 . 1 1 32 32 ILE N N 32 117.654 117.654 115.802 1.852 25856 4790 1 13 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.897 -0.183 25856 4791 1 13 . 1 1 32 32 ILE C C 32 174.438 174.438 173.845 0.593 25856 4792 1 13 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.194 -0.004 25856 4793 1 13 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.938 1.296 25856 4794 1 13 . 1 1 32 32 ILE H H 32 9.005 9.005 9.039 -0.034 25856 4795 1 13 . 1 1 33 33 LEU N N 33 122.166 122.166 122.890 -0.724 25856 4796 1 13 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.252 -0.035 25856 4797 1 13 . 1 1 33 33 LEU C C 33 176.190 176.190 175.699 0.491 25856 4798 1 13 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.499 0.344 25856 4799 1 13 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.269 0.489 25856 4800 1 13 . 1 1 33 33 LEU H H 33 7.713 7.713 8.515 -0.802 25856 4801 1 13 . 1 1 34 34 ALA N N 34 125.096 125.096 125.112 -0.016 25856 4802 1 13 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.188 0.304 25856 4803 1 13 . 1 1 34 34 ALA C C 34 175.700 175.700 175.031 0.669 25856 4804 1 13 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.538 -0.281 25856 4805 1 13 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.092 0.059 25856 4806 1 13 . 1 1 34 34 ALA H H 34 9.442 9.442 9.215 0.227 25856 4807 1 13 . 1 1 35 35 HIS N N 35 117.670 117.670 120.313 -2.643 25856 4808 1 13 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.516 -0.008 25856 4809 1 13 . 1 1 35 35 HIS C C 35 174.787 174.787 175.167 -0.380 25856 4810 1 13 . 1 1 35 35 HIS CA C 35 54.429 54.429 55.023 -0.594 25856 4811 1 13 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.802 -0.624 25856 4812 1 13 . 1 1 35 35 HIS H H 35 7.751 7.751 8.909 -1.158 25856 4813 1 13 . 1 1 36 36 VAL N N 36 119.236 119.236 120.288 -1.052 25856 4814 1 13 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.356 0.046 25856 4815 1 13 . 1 1 36 36 VAL C C 36 175.551 175.551 176.007 -0.456 25856 4816 1 13 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.681 0.652 25856 4817 1 13 . 1 1 36 36 VAL CB C 36 33.389 33.389 33.006 0.383 25856 4818 1 13 . 1 1 36 36 VAL H H 36 9.217 9.217 7.796 1.421 25856 4819 1 13 . 1 1 37 37 SER N N 37 119.884 119.884 118.452 1.432 25856 4820 1 13 . 1 1 37 37 SER HA H 37 4.425 4.425 4.467 -0.042 25856 4821 1 13 . 1 1 37 37 SER C C 37 175.003 175.003 176.280 -1.277 25856 4822 1 13 . 1 1 37 37 SER CA C 37 57.971 57.971 58.610 -0.639 25856 4823 1 13 . 1 1 37 37 SER CB C 37 64.761 64.761 64.354 0.407 25856 4824 1 13 . 1 1 37 37 SER H H 37 8.375 8.375 8.261 0.114 25856 4825 1 13 . 1 1 38 38 GLY N N 38 122.166 122.166 108.492 13.674 25856 4826 1 13 . 1 1 38 38 GLY C C 38 175.253 175.253 176.073 -0.820 25856 4827 1 13 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.901 -0.146 25856 4828 1 13 . 1 1 38 38 GLY H H 38 8.822 8.822 8.976 -0.154 25856 4829 1 13 . 1 1 39 39 LYS N N 39 120.070 120.070 121.617 -1.547 25856 4830 1 13 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.330 -0.273 25856 4831 1 13 . 1 1 39 39 LYS C C 39 177.734 177.734 178.012 -0.278 25856 4832 1 13 . 1 1 39 39 LYS CA C 39 58.036 58.036 57.642 0.394 25856 4833 1 13 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.539 0.449 25856 4834 1 13 . 1 1 39 39 LYS H H 39 8.135 8.135 7.539 0.596 25856 4835 1 13 . 1 1 40 40 ILE N N 40 117.925 117.925 119.788 -1.863 25856 4836 1 13 . 1 1 40 40 ILE HA H 40 4.030 4.030 4.346 -0.316 25856 4837 1 13 . 1 1 40 40 ILE C C 40 176.736 176.736 178.345 -1.609 25856 4838 1 13 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.533 -1.776 25856 4839 1 13 . 1 1 40 40 ILE CB C 40 37.802 37.802 37.715 0.087 25856 4840 1 13 . 1 1 40 40 ILE H H 40 7.416 7.416 7.864 -0.448 25856 4841 1 13 . 1 1 41 41 ARG N N 41 122.141 122.141 119.457 2.684 25856 4842 1 13 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.148 -0.042 25856 4843 1 13 . 1 1 41 41 ARG C C 41 177.543 177.543 178.114 -0.571 25856 4844 1 13 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.846 -0.810 25856 4845 1 13 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.143 -0.033 25856 4846 1 13 . 1 1 41 41 ARG H H 41 7.912 7.912 7.546 0.366 25856 4847 1 13 . 1 1 42 42 MET N N 42 118.223 118.223 118.531 -0.308 25856 4848 1 13 . 1 1 42 42 MET HA H 42 4.281 4.281 4.326 -0.045 25856 4849 1 13 . 1 1 42 42 MET C C 42 175.862 175.862 176.535 -0.673 25856 4850 1 13 . 1 1 42 42 MET CA C 42 56.299 56.299 57.944 -1.645 25856 4851 1 13 . 1 1 42 42 MET CB C 42 32.465 32.465 33.900 -1.435 25856 4852 1 13 . 1 1 42 42 MET H H 42 8.090 8.090 7.508 0.582 25856 4853 1 13 . 1 1 43 43 ASN N N 43 117.020 117.020 117.697 -0.677 25856 4854 1 13 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.976 -0.354 25856 4855 1 13 . 1 1 43 43 ASN C C 43 174.616 174.616 173.614 1.002 25856 4856 1 13 . 1 1 43 43 ASN CA C 43 53.276 53.276 51.986 1.290 25856 4857 1 13 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.208 -0.377 25856 4858 1 13 . 1 1 43 43 ASN H H 43 7.843 7.843 8.310 -0.467 25856 4859 1 13 . 1 1 44 44 TYR N N 44 117.998 117.998 127.253 -9.255 25856 4860 1 13 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.785 -0.438 25856 4861 1 13 . 1 1 44 44 TYR C C 44 175.211 175.211 175.542 -0.331 25856 4862 1 13 . 1 1 44 44 TYR CA C 44 58.652 58.652 57.342 1.310 25856 4863 1 13 . 1 1 44 44 TYR CB C 44 37.603 37.603 37.540 0.063 25856 4864 1 13 . 1 1 44 44 TYR H H 44 7.712 7.712 8.683 -0.971 25856 4865 1 13 . 1 1 45 45 ILE N N 45 120.711 120.711 124.076 -3.365 25856 4866 1 13 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.123 -0.180 25856 4867 1 13 . 1 1 45 45 ILE C C 45 173.895 173.895 175.029 -1.134 25856 4868 1 13 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.518 0.736 25856 4869 1 13 . 1 1 45 45 ILE CB C 45 38.574 38.574 38.537 0.037 25856 4870 1 13 . 1 1 45 45 ILE H H 45 7.466 7.466 7.702 -0.236 25856 4871 1 13 . 1 1 46 46 ARG N N 46 124.912 124.912 126.447 -1.535 25856 4872 1 13 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.104 0.280 25856 4873 1 13 . 1 1 46 46 ARG C C 46 174.759 174.759 175.353 -0.594 25856 4874 1 13 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.282 0.252 25856 4875 1 13 . 1 1 46 46 ARG CB C 46 30.762 30.762 30.278 0.484 25856 4876 1 13 . 1 1 46 46 ARG H H 46 8.077 8.077 8.333 -0.256 25856 4877 1 13 . 1 1 47 47 ILE N N 47 125.326 125.326 125.576 -0.250 25856 4878 1 13 . 1 1 47 47 ILE HA H 47 4.024 4.024 3.938 0.086 25856 4879 1 13 . 1 1 47 47 ILE C C 47 173.922 173.922 175.128 -1.206 25856 4880 1 13 . 1 1 47 47 ILE CA C 47 60.862 60.862 59.252 1.610 25856 4881 1 13 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.633 0.093 25856 4882 1 13 . 1 1 47 47 ILE H H 47 7.966 7.966 8.205 -0.239 25856 4883 1 13 . 1 1 48 48 LEU N N 48 128.989 128.989 127.818 1.171 25856 4884 1 13 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.787 0.077 25856 4885 1 13 . 1 1 48 48 LEU C C 48 174.217 174.217 174.681 -0.464 25856 4886 1 13 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.333 0.382 25856 4887 1 13 . 1 1 48 48 LEU CB C 48 43.523 43.523 42.759 0.764 25856 4888 1 13 . 1 1 48 48 LEU H H 48 8.765 8.765 8.345 0.420 25856 4889 1 13 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.257 -0.399 25856 4890 1 13 . 1 1 49 49 PRO C C 49 176.960 176.960 177.721 -0.761 25856 4891 1 13 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.125 -0.184 25856 4892 1 13 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.573 -0.317 25856 4893 1 13 . 1 1 50 50 GLY N N 50 114.638 114.638 114.118 0.520 25856 4894 1 13 . 1 1 50 50 GLY C C 50 174.448 174.448 174.307 0.141 25856 4895 1 13 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.788 -0.080 25856 4896 1 13 . 1 1 50 50 GLY H H 50 9.317 9.317 9.116 0.201 25856 4897 1 13 . 1 1 51 51 ASP N N 51 121.882 121.882 121.887 -0.005 25856 4898 1 13 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.860 -0.327 25856 4899 1 13 . 1 1 51 51 ASP C C 51 175.327 175.327 174.449 0.878 25856 4900 1 13 . 1 1 51 51 ASP CA C 51 55.393 55.393 53.806 1.587 25856 4901 1 13 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.688 -1.490 25856 4902 1 13 . 1 1 51 51 ASP H H 51 8.099 8.099 8.240 -0.141 25856 4903 1 13 . 1 1 52 52 LYS N N 52 121.338 121.338 120.182 1.156 25856 4904 1 13 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.327 -0.240 25856 4905 1 13 . 1 1 52 52 LYS C C 52 176.315 176.315 175.786 0.529 25856 4906 1 13 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.189 -0.537 25856 4907 1 13 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.979 -2.382 25856 4908 1 13 . 1 1 52 52 LYS H H 52 8.410 8.410 8.592 -0.182 25856 4909 1 13 . 1 1 53 53 VAL N N 53 114.761 114.761 118.709 -3.948 25856 4910 1 13 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.732 0.518 25856 4911 1 13 . 1 1 53 53 VAL C C 53 174.278 174.278 174.217 0.061 25856 4912 1 13 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.645 -1.665 25856 4913 1 13 . 1 1 53 53 VAL CB C 53 36.262 36.262 34.900 1.362 25856 4914 1 13 . 1 1 53 53 VAL H H 53 8.693 8.693 9.099 -0.406 25856 4915 1 13 . 1 1 54 54 THR N N 54 117.231 117.231 119.319 -2.088 25856 4916 1 13 . 1 1 54 54 THR HA H 54 4.837 4.837 4.859 -0.022 25856 4917 1 13 . 1 1 54 54 THR C C 54 173.923 173.923 173.069 0.854 25856 4918 1 13 . 1 1 54 54 THR CA C 54 62.448 62.448 62.740 -0.292 25856 4919 1 13 . 1 1 54 54 THR CB C 54 69.891 69.891 69.740 0.151 25856 4920 1 13 . 1 1 54 54 THR H H 54 8.296 8.296 8.949 -0.653 25856 4921 1 13 . 1 1 55 55 VAL N N 55 124.203 124.203 127.687 -3.484 25856 4922 1 13 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.805 0.027 25856 4923 1 13 . 1 1 55 55 VAL C C 55 174.106 174.106 173.517 0.589 25856 4924 1 13 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.507 0.044 25856 4925 1 13 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.711 -1.135 25856 4926 1 13 . 1 1 55 55 VAL H H 55 9.331 9.331 9.348 -0.017 25856 4927 1 13 . 1 1 56 56 GLU N N 56 123.984 123.984 129.511 -5.527 25856 4928 1 13 . 1 1 56 56 GLU HA H 56 5.220 5.220 4.953 0.267 25856 4929 1 13 . 1 1 56 56 GLU C C 56 176.645 176.645 175.809 0.836 25856 4930 1 13 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.608 -1.206 25856 4931 1 13 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.789 1.911 25856 4932 1 13 . 1 1 56 56 GLU H H 56 9.143 9.143 9.060 0.083 25856 4933 1 13 . 1 1 57 57 MET N N 57 123.465 123.465 123.223 0.242 25856 4934 1 13 . 1 1 57 57 MET HA H 57 4.795 4.795 4.976 -0.181 25856 4935 1 13 . 1 1 57 57 MET C C 57 174.899 174.899 175.301 -0.402 25856 4936 1 13 . 1 1 57 57 MET CA C 57 54.339 54.339 54.074 0.265 25856 4937 1 13 . 1 1 57 57 MET CB C 57 36.252 36.252 37.292 -1.040 25856 4938 1 13 . 1 1 57 57 MET H H 57 9.173 9.173 9.189 -0.016 25856 4939 1 13 . 1 1 58 58 SER N N 58 117.390 117.390 117.813 -0.423 25856 4940 1 13 . 1 1 58 58 SER HA H 58 5.039 5.039 4.865 0.174 25856 4941 1 13 . 1 1 58 58 SER C C 58 174.693 174.693 174.267 0.426 25856 4942 1 13 . 1 1 58 58 SER CA C 58 54.932 54.932 56.424 -1.492 25856 4943 1 13 . 1 1 58 58 SER CB C 58 64.587 64.587 62.900 1.687 25856 4944 1 13 . 1 1 58 58 SER H H 58 9.184 9.184 9.069 0.115 25856 4945 1 13 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.285 -0.179 25856 4946 1 13 . 1 1 59 59 PRO C C 59 176.290 176.290 176.246 0.044 25856 4947 1 13 . 1 1 59 59 PRO CA C 59 63.853 63.853 65.244 -1.391 25856 4948 1 13 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.825 -0.059 25856 4949 1 13 . 1 1 60 60 TYR N N 60 113.938 113.938 115.623 -1.685 25856 4950 1 13 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.633 -0.144 25856 4951 1 13 . 1 1 60 60 TYR C C 60 175.439 175.439 174.633 0.806 25856 4952 1 13 . 1 1 60 60 TYR CA C 60 57.342 57.342 57.599 -0.257 25856 4953 1 13 . 1 1 60 60 TYR CB C 60 38.293 38.293 38.619 -0.326 25856 4954 1 13 . 1 1 60 60 TYR H H 60 7.307 7.307 7.894 -0.587 25856 4955 1 13 . 1 1 61 61 ASP N N 61 118.283 118.283 119.031 -0.748 25856 4956 1 13 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.567 0.200 25856 4957 1 13 . 1 1 61 61 ASP C C 61 174.996 174.996 176.676 -1.680 25856 4958 1 13 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.139 -0.297 25856 4959 1 13 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.751 -2.329 25856 4960 1 13 . 1 1 61 61 ASP H H 61 7.418 7.418 7.811 -0.393 25856 4961 1 13 . 1 1 62 62 LEU N N 62 124.044 124.044 118.933 5.111 25856 4962 1 13 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.970 0.517 25856 4963 1 13 . 1 1 62 62 LEU C C 62 177.109 177.109 175.356 1.753 25856 4964 1 13 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.901 -0.671 25856 4965 1 13 . 1 1 62 62 LEU CB C 62 40.930 40.930 41.114 -0.183 25856 4966 1 13 . 1 1 62 62 LEU H H 62 8.743 8.743 8.096 0.647 25856 4967 1 13 . 1 1 63 63 THR N N 63 107.624 107.624 111.128 -3.504 25856 4968 1 13 . 1 1 63 63 THR HA H 63 4.608 4.608 4.364 0.244 25856 4969 1 13 . 1 1 63 63 THR C C 63 174.873 174.873 173.445 1.428 25856 4970 1 13 . 1 1 63 63 THR CA C 63 62.686 62.686 62.571 0.115 25856 4971 1 13 . 1 1 63 63 THR CB C 63 70.393 70.393 70.923 -0.530 25856 4972 1 13 . 1 1 63 63 THR H H 63 8.415 8.415 8.773 -0.358 25856 4973 1 13 . 1 1 64 64 ARG N N 64 120.138 120.138 121.596 -1.458 25856 4974 1 13 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.822 -0.203 25856 4975 1 13 . 1 1 64 64 ARG C C 64 174.858 174.858 175.234 -0.376 25856 4976 1 13 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.663 0.555 25856 4977 1 13 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.897 0.629 25856 4978 1 13 . 1 1 64 64 ARG H H 64 7.200 7.200 8.801 -1.601 25856 4979 1 13 . 1 1 65 65 GLY N N 65 106.034 106.034 107.694 -1.660 25856 4980 1 13 . 1 1 65 65 GLY C C 65 171.075 171.075 172.127 -1.052 25856 4981 1 13 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.314 0.039 25856 4982 1 13 . 1 1 65 65 GLY H H 65 8.618 8.618 7.960 0.658 25856 4983 1 13 . 1 1 66 66 ARG N N 66 118.635 118.635 119.652 -1.017 25856 4984 1 13 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.575 -0.589 25856 4985 1 13 . 1 1 66 66 ARG C C 66 175.345 175.345 174.303 1.042 25856 4986 1 13 . 1 1 66 66 ARG CA C 66 53.691 53.691 53.954 -0.263 25856 4987 1 13 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.472 -1.061 25856 4988 1 13 . 1 1 66 66 ARG H H 66 8.621 8.621 8.527 0.094 25856 4989 1 13 . 1 1 67 67 ILE N N 67 125.220 125.220 128.589 -3.369 25856 4990 1 13 . 1 1 67 67 ILE HA H 67 4.402 4.402 5.067 -0.665 25856 4991 1 13 . 1 1 67 67 ILE C C 67 176.084 176.084 176.153 -0.069 25856 4992 1 13 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.342 1.957 25856 4993 1 13 . 1 1 67 67 ILE CB C 67 39.359 39.359 39.359 0.000 25856 4994 1 13 . 1 1 67 67 ILE H H 67 9.083 9.083 9.208 -0.125 25856 4995 1 13 . 1 1 68 68 THR N N 68 117.584 117.584 121.650 -4.066 25856 4996 1 13 . 1 1 68 68 THR HA H 68 4.435 4.435 4.505 -0.070 25856 4997 1 13 . 1 1 68 68 THR C C 68 174.406 174.406 174.048 0.358 25856 4998 1 13 . 1 1 68 68 THR CA C 68 61.164 61.164 62.861 -1.697 25856 4999 1 13 . 1 1 68 68 THR CB C 68 69.514 69.514 70.437 -0.923 25856 5000 1 13 . 1 1 68 68 THR H H 68 8.691 8.691 8.339 0.352 25856 5001 1 13 . 1 1 69 69 TYR N N 69 120.904 120.904 123.623 -2.719 25856 5002 1 13 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.618 -0.265 25856 5003 1 13 . 1 1 69 69 TYR C C 69 172.657 172.657 172.791 -0.134 25856 5004 1 13 . 1 1 69 69 TYR CA C 69 58.734 58.734 56.787 1.947 25856 5005 1 13 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.183 0.248 25856 5006 1 13 . 1 1 69 69 TYR H H 69 7.479 7.479 7.544 -0.065 25856 5007 1 13 . 1 1 70 70 ARG N N 70 125.781 125.781 125.407 0.374 25856 5008 1 13 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.338 0.353 25856 5009 1 13 . 1 1 70 70 ARG C C 70 174.016 174.016 173.271 0.745 25856 5010 1 13 . 1 1 70 70 ARG CA C 70 54.661 54.661 53.971 0.690 25856 5011 1 13 . 1 1 70 70 ARG CB C 70 31.816 31.816 32.241 -0.425 25856 5012 1 13 . 1 1 70 70 ARG H H 70 7.439 7.439 7.493 -0.054 25856 5013 1 13 . 1 1 71 71 TYR N N 71 124.942 124.942 122.892 2.050 25856 5014 1 13 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.232 0.019 25856 5015 1 13 . 1 1 71 71 TYR C C 71 175.278 175.278 175.394 -0.116 25856 5016 1 13 . 1 1 71 71 TYR CA C 71 58.445 58.445 58.231 0.214 25856 5017 1 13 . 1 1 71 71 TYR CB C 71 38.803 38.803 39.558 -0.755 25856 5018 1 13 . 1 1 71 71 TYR H H 71 8.478 8.478 8.667 -0.189 25856 5019 1 14 . 1 1 5 5 ASP N N 5 121.636 121.636 118.995 2.641 25856 5020 1 14 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.608 -0.027 25856 5021 1 14 . 1 1 5 5 ASP C C 5 175.317 175.317 175.408 -0.091 25856 5022 1 14 . 1 1 5 5 ASP CA C 5 54.687 54.687 54.167 0.520 25856 5023 1 14 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.133 0.127 25856 5024 1 14 . 1 1 5 5 ASP H H 5 8.370 8.370 8.084 0.286 25856 5025 1 14 . 1 1 6 6 VAL N N 6 116.054 116.054 119.983 -3.929 25856 5026 1 14 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.318 0.237 25856 5027 1 14 . 1 1 6 6 VAL C C 6 174.969 174.969 175.188 -0.219 25856 5028 1 14 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.629 0.320 25856 5029 1 14 . 1 1 6 6 VAL CB C 6 35.032 35.032 34.059 0.973 25856 5030 1 14 . 1 1 6 6 VAL H H 6 7.702 7.702 7.730 -0.028 25856 5031 1 14 . 1 1 7 7 ILE N N 7 123.240 123.240 123.184 0.056 25856 5032 1 14 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.339 0.043 25856 5033 1 14 . 1 1 7 7 ILE C C 7 174.177 174.177 174.433 -0.256 25856 5034 1 14 . 1 1 7 7 ILE CA C 7 60.100 60.100 59.329 0.771 25856 5035 1 14 . 1 1 7 7 ILE CB C 7 40.712 40.712 37.595 3.117 25856 5036 1 14 . 1 1 7 7 ILE H H 7 8.748 8.748 8.253 0.495 25856 5037 1 14 . 1 1 8 8 GLU N N 8 124.266 124.266 127.396 -3.130 25856 5038 1 14 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.511 -0.161 25856 5039 1 14 . 1 1 8 8 GLU C C 8 175.592 175.592 175.278 0.314 25856 5040 1 14 . 1 1 8 8 GLU CA C 8 54.724 54.724 54.505 0.219 25856 5041 1 14 . 1 1 8 8 GLU CB C 8 33.510 33.510 31.733 1.777 25856 5042 1 14 . 1 1 8 8 GLU H H 8 8.236 8.236 8.514 -0.278 25856 5043 1 14 . 1 1 9 9 LEU N N 9 125.462 125.462 123.857 1.605 25856 5044 1 14 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.868 -0.091 25856 5045 1 14 . 1 1 9 9 LEU C C 9 174.654 174.654 175.708 -1.054 25856 5046 1 14 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.202 0.670 25856 5047 1 14 . 1 1 9 9 LEU CB C 9 47.173 47.173 45.822 1.351 25856 5048 1 14 . 1 1 9 9 LEU H H 9 8.947 8.947 8.956 -0.009 25856 5049 1 14 . 1 1 10 10 GLU N N 10 119.884 119.884 119.795 0.089 25856 5050 1 14 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.764 -0.588 25856 5051 1 14 . 1 1 10 10 GLU C C 10 176.424 176.424 176.666 -0.242 25856 5052 1 14 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.598 0.674 25856 5053 1 14 . 1 1 10 10 GLU CB C 10 31.815 31.815 31.735 0.080 25856 5054 1 14 . 1 1 10 10 GLU H H 10 8.697 8.697 8.668 0.029 25856 5055 1 14 . 1 1 11 11 GLY N N 11 107.302 107.302 110.335 -3.033 25856 5056 1 14 . 1 1 11 11 GLY C C 11 171.493 171.493 172.567 -1.074 25856 5057 1 14 . 1 1 11 11 GLY CA C 11 45.682 45.682 44.987 0.695 25856 5058 1 14 . 1 1 11 11 GLY H H 11 8.896 8.896 8.502 0.394 25856 5059 1 14 . 1 1 12 12 THR N N 12 115.723 115.723 116.615 -0.892 25856 5060 1 14 . 1 1 12 12 THR HA H 12 5.057 5.057 5.198 -0.141 25856 5061 1 14 . 1 1 12 12 THR C C 12 174.347 174.347 173.646 0.701 25856 5062 1 14 . 1 1 12 12 THR CA C 12 61.226 61.226 61.463 -0.237 25856 5063 1 14 . 1 1 12 12 THR CB C 12 71.245 71.245 71.117 0.128 25856 5064 1 14 . 1 1 12 12 THR H H 12 8.551 8.551 8.842 -0.291 25856 5065 1 14 . 1 1 13 13 VAL N N 13 127.141 127.141 127.543 -0.402 25856 5066 1 14 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.478 -0.678 25856 5067 1 14 . 1 1 13 13 VAL C C 13 175.760 175.760 174.984 0.776 25856 5068 1 14 . 1 1 13 13 VAL CA C 13 64.518 64.518 60.984 3.534 25856 5069 1 14 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.865 -1.310 25856 5070 1 14 . 1 1 13 13 VAL H H 13 9.135 9.135 8.575 0.560 25856 5071 1 14 . 1 1 14 14 LEU N N 14 129.942 129.942 125.938 4.004 25856 5072 1 14 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.817 -0.267 25856 5073 1 14 . 1 1 14 14 LEU C C 14 176.277 176.277 176.694 -0.417 25856 5074 1 14 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.092 0.583 25856 5075 1 14 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.979 1.025 25856 5076 1 14 . 1 1 14 14 LEU H H 14 9.536 9.536 8.214 1.322 25856 5077 1 14 . 1 1 15 15 ASP N N 15 113.621 113.621 120.426 -6.805 25856 5078 1 14 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.011 -0.033 25856 5079 1 14 . 1 1 15 15 ASP C C 15 174.864 174.864 175.329 -0.465 25856 5080 1 14 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.369 -0.052 25856 5081 1 14 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.089 0.681 25856 5082 1 14 . 1 1 15 15 ASP H H 15 7.609 7.609 7.722 -0.113 25856 5083 1 14 . 1 1 16 16 THR N N 16 115.901 115.901 113.104 2.797 25856 5084 1 14 . 1 1 16 16 THR HA H 16 4.298 4.298 4.437 -0.139 25856 5085 1 14 . 1 1 16 16 THR C C 16 172.704 172.704 173.502 -0.798 25856 5086 1 14 . 1 1 16 16 THR CA C 16 60.251 60.251 61.617 -1.366 25856 5087 1 14 . 1 1 16 16 THR CB C 16 69.494 69.494 69.118 0.376 25856 5088 1 14 . 1 1 16 16 THR H H 16 8.841 8.841 8.375 0.466 25856 5089 1 14 . 1 1 17 17 LEU N N 17 125.747 125.747 126.025 -0.278 25856 5090 1 14 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.748 -0.065 25856 5091 1 14 . 1 1 17 17 LEU C C 17 174.509 174.509 175.020 -0.511 25856 5092 1 14 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.294 1.500 25856 5093 1 14 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.626 -0.045 25856 5094 1 14 . 1 1 17 17 LEU H H 17 7.913 7.913 7.798 0.115 25856 5095 1 14 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.238 0.086 25856 5096 1 14 . 1 1 18 18 PRO C C 18 175.973 175.973 176.506 -0.533 25856 5097 1 14 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.454 -0.305 25856 5098 1 14 . 1 1 18 18 PRO CB C 18 32.228 32.228 31.999 0.229 25856 5099 1 14 . 1 1 19 19 ASN N N 19 115.147 115.147 118.801 -3.654 25856 5100 1 14 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.322 -0.091 25856 5101 1 14 . 1 1 19 19 ASN C C 19 174.180 174.180 174.758 -0.578 25856 5102 1 14 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.337 0.761 25856 5103 1 14 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.804 -0.894 25856 5104 1 14 . 1 1 19 19 ASN H H 19 8.598 8.598 8.748 -0.150 25856 5105 1 14 . 1 1 20 20 ALA N N 20 116.191 116.191 114.438 1.753 25856 5106 1 14 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.523 0.278 25856 5107 1 14 . 1 1 20 20 ALA C C 20 174.990 174.990 175.021 -0.031 25856 5108 1 14 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.998 -0.042 25856 5109 1 14 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.453 -0.910 25856 5110 1 14 . 1 1 20 20 ALA H H 20 8.335 8.335 8.127 0.208 25856 5111 1 14 . 1 1 21 21 MET N N 21 113.560 113.560 116.544 -2.984 25856 5112 1 14 . 1 1 21 21 MET HA H 21 5.124 5.124 5.107 0.017 25856 5113 1 14 . 1 1 21 21 MET C C 21 175.205 175.205 174.350 0.855 25856 5114 1 14 . 1 1 21 21 MET CA C 21 54.597 54.597 53.975 0.622 25856 5115 1 14 . 1 1 21 21 MET CB C 21 35.150 35.150 35.955 -0.805 25856 5116 1 14 . 1 1 21 21 MET H H 21 6.302 6.302 6.965 -0.663 25856 5117 1 14 . 1 1 22 22 PHE N N 22 117.199 117.199 119.064 -1.865 25856 5118 1 14 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.885 0.033 25856 5119 1 14 . 1 1 22 22 PHE C C 22 174.697 174.697 173.958 0.739 25856 5120 1 14 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.108 0.025 25856 5121 1 14 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.806 -0.672 25856 5122 1 14 . 1 1 22 22 PHE H H 22 9.007 9.007 9.330 -0.323 25856 5123 1 14 . 1 1 23 23 LYS N N 23 122.934 122.934 123.989 -1.055 25856 5124 1 14 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.976 0.141 25856 5125 1 14 . 1 1 23 23 LYS C C 23 175.853 175.853 175.036 0.817 25856 5126 1 14 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.738 -0.142 25856 5127 1 14 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.445 0.577 25856 5128 1 14 . 1 1 23 23 LYS H H 23 8.340 8.340 8.633 -0.293 25856 5129 1 14 . 1 1 24 24 VAL N N 24 128.487 128.487 126.279 2.208 25856 5130 1 14 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.389 0.252 25856 5131 1 14 . 1 1 24 24 VAL C C 24 173.199 173.199 174.167 -0.968 25856 5132 1 14 . 1 1 24 24 VAL CA C 24 60.705 60.705 61.440 -0.735 25856 5133 1 14 . 1 1 24 24 VAL CB C 24 35.609 35.609 33.913 1.696 25856 5134 1 14 . 1 1 24 24 VAL H H 24 9.123 9.123 9.102 0.021 25856 5135 1 14 . 1 1 25 25 GLU N N 25 127.440 127.440 127.149 0.291 25856 5136 1 14 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.995 -0.282 25856 5137 1 14 . 1 1 25 25 GLU C C 25 176.358 176.358 175.894 0.464 25856 5138 1 14 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.488 0.419 25856 5139 1 14 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.081 -0.442 25856 5140 1 14 . 1 1 25 25 GLU H H 25 9.017 9.017 9.128 -0.111 25856 5141 1 14 . 1 1 26 26 LEU N N 26 128.629 128.629 128.041 0.588 25856 5142 1 14 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.173 0.631 25856 5143 1 14 . 1 1 26 26 LEU C C 26 179.339 179.339 178.345 0.994 25856 5144 1 14 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.837 -1.015 25856 5145 1 14 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.302 1.266 25856 5146 1 14 . 1 1 26 26 LEU H H 26 9.101 9.101 9.064 0.037 25856 5147 1 14 . 1 1 27 27 GLU N N 27 119.613 119.613 124.065 -4.452 25856 5148 1 14 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.075 0.087 25856 5149 1 14 . 1 1 27 27 GLU C C 27 175.724 175.724 177.238 -1.514 25856 5150 1 14 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.579 -0.190 25856 5151 1 14 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.202 0.480 25856 5152 1 14 . 1 1 27 27 GLU H H 27 8.794 8.794 8.613 0.181 25856 5153 1 14 . 1 1 28 28 ASN N N 28 114.625 114.625 117.317 -2.692 25856 5154 1 14 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.685 -0.074 25856 5155 1 14 . 1 1 28 28 ASN C C 28 176.299 176.299 176.097 0.202 25856 5156 1 14 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.187 -0.706 25856 5157 1 14 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.833 -1.127 25856 5158 1 14 . 1 1 28 28 ASN H H 28 7.183 7.183 7.981 -0.798 25856 5159 1 14 . 1 1 29 29 GLY N N 29 107.903 107.903 107.243 0.660 25856 5160 1 14 . 1 1 29 29 GLY C C 29 174.243 174.243 173.621 0.622 25856 5161 1 14 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.126 0.181 25856 5162 1 14 . 1 1 29 29 GLY H H 29 6.899 6.899 8.140 -1.241 25856 5163 1 14 . 1 1 30 30 HIS N N 30 118.953 118.953 121.260 -2.307 25856 5164 1 14 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.789 -0.125 25856 5165 1 14 . 1 1 30 30 HIS C C 30 173.476 173.476 173.505 -0.029 25856 5166 1 14 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.364 0.583 25856 5167 1 14 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.536 -1.375 25856 5168 1 14 . 1 1 30 30 HIS H H 30 7.739 7.739 7.899 -0.160 25856 5169 1 14 . 1 1 31 31 GLU N N 31 123.512 123.512 124.979 -1.467 25856 5170 1 14 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.031 0.210 25856 5171 1 14 . 1 1 31 31 GLU C C 31 176.181 176.181 175.523 0.658 25856 5172 1 14 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.149 -0.061 25856 5173 1 14 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.996 0.887 25856 5174 1 14 . 1 1 31 31 GLU H H 31 8.495 8.495 8.634 -0.139 25856 5175 1 14 . 1 1 32 32 ILE N N 32 117.654 117.654 115.864 1.790 25856 5176 1 14 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.955 -0.241 25856 5177 1 14 . 1 1 32 32 ILE C C 32 174.438 174.438 173.906 0.532 25856 5178 1 14 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.172 0.018 25856 5179 1 14 . 1 1 32 32 ILE CB C 32 43.234 43.234 42.115 1.119 25856 5180 1 14 . 1 1 32 32 ILE H H 32 9.005 9.005 9.028 -0.023 25856 5181 1 14 . 1 1 33 33 LEU N N 33 122.166 122.166 123.110 -0.944 25856 5182 1 14 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.314 -0.097 25856 5183 1 14 . 1 1 33 33 LEU C C 33 176.190 176.190 175.877 0.313 25856 5184 1 14 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.493 0.350 25856 5185 1 14 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.926 0.832 25856 5186 1 14 . 1 1 33 33 LEU H H 33 7.713 7.713 8.423 -0.710 25856 5187 1 14 . 1 1 34 34 ALA N N 34 125.096 125.096 125.130 -0.034 25856 5188 1 14 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.294 0.198 25856 5189 1 14 . 1 1 34 34 ALA C C 34 175.700 175.700 175.108 0.592 25856 5190 1 14 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.435 -0.178 25856 5191 1 14 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.139 0.012 25856 5192 1 14 . 1 1 34 34 ALA H H 34 9.442 9.442 9.094 0.348 25856 5193 1 14 . 1 1 35 35 HIS N N 35 117.670 117.670 120.488 -2.818 25856 5194 1 14 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.546 -0.038 25856 5195 1 14 . 1 1 35 35 HIS C C 35 174.787 174.787 175.279 -0.492 25856 5196 1 14 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.956 -0.527 25856 5197 1 14 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.626 -0.448 25856 5198 1 14 . 1 1 35 35 HIS H H 35 7.751 7.751 8.767 -1.016 25856 5199 1 14 . 1 1 36 36 VAL N N 36 119.236 119.236 121.601 -2.365 25856 5200 1 14 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.629 -0.227 25856 5201 1 14 . 1 1 36 36 VAL C C 36 175.551 175.551 176.044 -0.493 25856 5202 1 14 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.571 0.763 25856 5203 1 14 . 1 1 36 36 VAL CB C 36 33.389 33.389 33.021 0.368 25856 5204 1 14 . 1 1 36 36 VAL H H 36 9.217 9.217 7.888 1.329 25856 5205 1 14 . 1 1 37 37 SER N N 37 119.884 119.884 118.957 0.927 25856 5206 1 14 . 1 1 37 37 SER HA H 37 4.425 4.425 4.481 -0.056 25856 5207 1 14 . 1 1 37 37 SER C C 37 175.003 175.003 176.131 -1.128 25856 5208 1 14 . 1 1 37 37 SER CA C 37 57.971 57.971 58.638 -0.667 25856 5209 1 14 . 1 1 37 37 SER CB C 37 64.761 64.761 64.794 -0.033 25856 5210 1 14 . 1 1 37 37 SER H H 37 8.375 8.375 8.564 -0.189 25856 5211 1 14 . 1 1 38 38 GLY N N 38 122.166 122.166 109.149 13.017 25856 5212 1 14 . 1 1 38 38 GLY C C 38 175.253 175.253 176.206 -0.953 25856 5213 1 14 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.863 -0.108 25856 5214 1 14 . 1 1 38 38 GLY H H 38 8.822 8.822 9.002 -0.180 25856 5215 1 14 . 1 1 39 39 LYS N N 39 120.070 120.070 121.407 -1.337 25856 5216 1 14 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.179 -0.122 25856 5217 1 14 . 1 1 39 39 LYS C C 39 177.734 177.734 178.490 -0.756 25856 5218 1 14 . 1 1 39 39 LYS CA C 39 58.036 58.036 59.160 -1.124 25856 5219 1 14 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.576 0.412 25856 5220 1 14 . 1 1 39 39 LYS H H 39 8.135 8.135 7.503 0.632 25856 5221 1 14 . 1 1 40 40 ILE N N 40 117.925 117.925 119.798 -1.873 25856 5222 1 14 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.812 0.218 25856 5223 1 14 . 1 1 40 40 ILE C C 40 176.736 176.736 177.278 -0.542 25856 5224 1 14 . 1 1 40 40 ILE CA C 40 61.757 61.757 64.103 -2.346 25856 5225 1 14 . 1 1 40 40 ILE CB C 40 37.802 37.802 37.974 -0.172 25856 5226 1 14 . 1 1 40 40 ILE H H 40 7.416 7.416 7.318 0.098 25856 5227 1 14 . 1 1 41 41 ARG N N 41 122.141 122.141 120.177 1.964 25856 5228 1 14 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.049 0.057 25856 5229 1 14 . 1 1 41 41 ARG C C 41 177.543 177.543 178.054 -0.511 25856 5230 1 14 . 1 1 41 41 ARG CA C 41 58.036 58.036 59.192 -1.156 25856 5231 1 14 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.483 -0.373 25856 5232 1 14 . 1 1 41 41 ARG H H 41 7.912 7.912 7.946 -0.034 25856 5233 1 14 . 1 1 42 42 MET N N 42 118.223 118.223 115.756 2.467 25856 5234 1 14 . 1 1 42 42 MET HA H 42 4.281 4.281 4.383 -0.102 25856 5235 1 14 . 1 1 42 42 MET C C 42 175.862 175.862 177.075 -1.213 25856 5236 1 14 . 1 1 42 42 MET CA C 42 56.299 56.299 58.141 -1.842 25856 5237 1 14 . 1 1 42 42 MET CB C 42 32.465 32.465 33.214 -0.749 25856 5238 1 14 . 1 1 42 42 MET H H 42 8.090 8.090 8.029 0.061 25856 5239 1 14 . 1 1 43 43 ASN N N 43 117.020 117.020 117.843 -0.823 25856 5240 1 14 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.789 -0.167 25856 5241 1 14 . 1 1 43 43 ASN C C 43 174.616 174.616 175.287 -0.671 25856 5242 1 14 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.467 0.810 25856 5243 1 14 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.004 -1.173 25856 5244 1 14 . 1 1 43 43 ASN H H 43 7.843 7.843 7.764 0.079 25856 5245 1 14 . 1 1 44 44 TYR N N 44 117.998 117.998 122.197 -4.199 25856 5246 1 14 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.489 -0.142 25856 5247 1 14 . 1 1 44 44 TYR C C 44 175.211 175.211 176.251 -1.040 25856 5248 1 14 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.639 0.013 25856 5249 1 14 . 1 1 44 44 TYR CB C 44 37.603 37.603 38.255 -0.652 25856 5250 1 14 . 1 1 44 44 TYR H H 44 7.712 7.712 8.854 -1.142 25856 5251 1 14 . 1 1 45 45 ILE N N 45 120.711 120.711 117.304 3.407 25856 5252 1 14 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.115 -0.172 25856 5253 1 14 . 1 1 45 45 ILE C C 45 173.895 173.895 175.134 -1.239 25856 5254 1 14 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.247 1.007 25856 5255 1 14 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.624 2.950 25856 5256 1 14 . 1 1 45 45 ILE H H 45 7.466 7.466 8.084 -0.618 25856 5257 1 14 . 1 1 46 46 ARG N N 46 124.912 124.912 121.557 3.355 25856 5258 1 14 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.225 0.159 25856 5259 1 14 . 1 1 46 46 ARG C C 46 174.759 174.759 175.580 -0.821 25856 5260 1 14 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.419 0.115 25856 5261 1 14 . 1 1 46 46 ARG CB C 46 30.762 30.762 31.219 -0.457 25856 5262 1 14 . 1 1 46 46 ARG H H 46 8.077 8.077 7.631 0.446 25856 5263 1 14 . 1 1 47 47 ILE N N 47 125.326 125.326 121.182 4.144 25856 5264 1 14 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.006 0.018 25856 5265 1 14 . 1 1 47 47 ILE C C 47 173.922 173.922 175.068 -1.146 25856 5266 1 14 . 1 1 47 47 ILE CA C 47 60.862 60.862 60.736 0.126 25856 5267 1 14 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.675 0.051 25856 5268 1 14 . 1 1 47 47 ILE H H 47 7.966 7.966 8.081 -0.115 25856 5269 1 14 . 1 1 48 48 LEU N N 48 128.989 128.989 129.108 -0.119 25856 5270 1 14 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.920 -0.056 25856 5271 1 14 . 1 1 48 48 LEU C C 48 174.217 174.217 174.191 0.026 25856 5272 1 14 . 1 1 48 48 LEU CA C 48 51.715 51.715 50.927 0.788 25856 5273 1 14 . 1 1 48 48 LEU CB C 48 43.523 43.523 46.245 -2.722 25856 5274 1 14 . 1 1 48 48 LEU H H 48 8.765 8.765 8.988 -0.223 25856 5275 1 14 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.214 -0.356 25856 5276 1 14 . 1 1 49 49 PRO C C 49 176.960 176.960 177.278 -0.318 25856 5277 1 14 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.439 -0.498 25856 5278 1 14 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.397 -0.141 25856 5279 1 14 . 1 1 50 50 GLY N N 50 114.638 114.638 113.910 0.728 25856 5280 1 14 . 1 1 50 50 GLY C C 50 174.448 174.448 174.592 -0.144 25856 5281 1 14 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.656 0.051 25856 5282 1 14 . 1 1 50 50 GLY H H 50 9.317 9.317 9.042 0.275 25856 5283 1 14 . 1 1 51 51 ASP N N 51 121.882 121.882 123.819 -1.937 25856 5284 1 14 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.486 0.047 25856 5285 1 14 . 1 1 51 51 ASP C C 51 175.327 175.327 175.242 0.085 25856 5286 1 14 . 1 1 51 51 ASP CA C 51 55.393 55.393 56.415 -1.022 25856 5287 1 14 . 1 1 51 51 ASP CB C 51 41.197 41.197 41.617 -0.420 25856 5288 1 14 . 1 1 51 51 ASP H H 51 8.099 8.099 8.164 -0.065 25856 5289 1 14 . 1 1 52 52 LYS N N 52 121.338 121.338 122.164 -0.826 25856 5290 1 14 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.341 -0.254 25856 5291 1 14 . 1 1 52 52 LYS C C 52 176.315 176.315 176.002 0.313 25856 5292 1 14 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.510 -0.858 25856 5293 1 14 . 1 1 52 52 LYS CB C 52 32.597 32.597 33.895 -1.298 25856 5294 1 14 . 1 1 52 52 LYS H H 52 8.410 8.410 8.187 0.223 25856 5295 1 14 . 1 1 53 53 VAL N N 53 114.761 114.761 119.621 -4.860 25856 5296 1 14 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.968 0.282 25856 5297 1 14 . 1 1 53 53 VAL C C 53 174.278 174.278 174.770 -0.492 25856 5298 1 14 . 1 1 53 53 VAL CA C 53 57.980 57.980 58.977 -0.997 25856 5299 1 14 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.037 1.225 25856 5300 1 14 . 1 1 53 53 VAL H H 53 8.693 8.693 9.070 -0.377 25856 5301 1 14 . 1 1 54 54 THR N N 54 117.231 117.231 120.017 -2.786 25856 5302 1 14 . 1 1 54 54 THR HA H 54 4.837 4.837 5.109 -0.272 25856 5303 1 14 . 1 1 54 54 THR C C 54 173.923 173.923 173.344 0.579 25856 5304 1 14 . 1 1 54 54 THR CA C 54 62.448 62.448 62.844 -0.396 25856 5305 1 14 . 1 1 54 54 THR CB C 54 69.891 69.891 69.538 0.353 25856 5306 1 14 . 1 1 54 54 THR H H 54 8.296 8.296 8.973 -0.677 25856 5307 1 14 . 1 1 55 55 VAL N N 55 124.203 124.203 128.284 -4.081 25856 5308 1 14 . 1 1 55 55 VAL HA H 55 4.832 4.832 5.015 -0.183 25856 5309 1 14 . 1 1 55 55 VAL C C 55 174.106 174.106 173.870 0.236 25856 5310 1 14 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.317 0.234 25856 5311 1 14 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.612 -0.036 25856 5312 1 14 . 1 1 55 55 VAL H H 55 9.331 9.331 9.314 0.017 25856 5313 1 14 . 1 1 56 56 GLU N N 56 123.984 123.984 130.103 -6.119 25856 5314 1 14 . 1 1 56 56 GLU HA H 56 5.220 5.220 4.970 0.250 25856 5315 1 14 . 1 1 56 56 GLU C C 56 176.645 176.645 175.782 0.863 25856 5316 1 14 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.509 -1.107 25856 5317 1 14 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.799 1.901 25856 5318 1 14 . 1 1 56 56 GLU H H 56 9.143 9.143 9.146 -0.003 25856 5319 1 14 . 1 1 57 57 MET N N 57 123.465 123.465 121.821 1.644 25856 5320 1 14 . 1 1 57 57 MET HA H 57 4.795 4.795 4.995 -0.200 25856 5321 1 14 . 1 1 57 57 MET C C 57 174.899 174.899 174.364 0.535 25856 5322 1 14 . 1 1 57 57 MET CA C 57 54.339 54.339 54.357 -0.018 25856 5323 1 14 . 1 1 57 57 MET CB C 57 36.252 36.252 36.522 -0.270 25856 5324 1 14 . 1 1 57 57 MET H H 57 9.173 9.173 9.082 0.091 25856 5325 1 14 . 1 1 58 58 SER N N 58 117.390 117.390 116.912 0.478 25856 5326 1 14 . 1 1 58 58 SER HA H 58 5.039 5.039 4.730 0.309 25856 5327 1 14 . 1 1 58 58 SER C C 58 174.693 174.693 175.133 -0.440 25856 5328 1 14 . 1 1 58 58 SER CA C 58 54.932 54.932 56.201 -1.269 25856 5329 1 14 . 1 1 58 58 SER CB C 58 64.587 64.587 63.248 1.339 25856 5330 1 14 . 1 1 58 58 SER H H 58 9.184 9.184 8.936 0.248 25856 5331 1 14 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.328 -0.222 25856 5332 1 14 . 1 1 59 59 PRO C C 59 176.290 176.290 176.755 -0.465 25856 5333 1 14 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.927 -1.074 25856 5334 1 14 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.958 -0.192 25856 5335 1 14 . 1 1 60 60 TYR N N 60 113.938 113.938 117.137 -3.199 25856 5336 1 14 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.669 -0.180 25856 5337 1 14 . 1 1 60 60 TYR C C 60 175.439 175.439 174.980 0.459 25856 5338 1 14 . 1 1 60 60 TYR CA C 60 57.342 57.342 57.589 -0.247 25856 5339 1 14 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.036 -0.743 25856 5340 1 14 . 1 1 60 60 TYR H H 60 7.307 7.307 7.887 -0.580 25856 5341 1 14 . 1 1 61 61 ASP N N 61 118.283 118.283 119.245 -0.962 25856 5342 1 14 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.593 0.174 25856 5343 1 14 . 1 1 61 61 ASP C C 61 174.996 174.996 176.892 -1.896 25856 5344 1 14 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.191 -0.349 25856 5345 1 14 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.660 -2.238 25856 5346 1 14 . 1 1 61 61 ASP H H 61 7.418 7.418 7.810 -0.392 25856 5347 1 14 . 1 1 62 62 LEU N N 62 124.044 124.044 118.428 5.616 25856 5348 1 14 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.920 0.567 25856 5349 1 14 . 1 1 62 62 LEU C C 62 177.109 177.109 176.305 0.804 25856 5350 1 14 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.736 -0.506 25856 5351 1 14 . 1 1 62 62 LEU CB C 62 40.930 40.930 41.270 -0.340 25856 5352 1 14 . 1 1 62 62 LEU H H 62 8.743 8.743 8.045 0.698 25856 5353 1 14 . 1 1 63 63 THR N N 63 107.624 107.624 111.563 -3.939 25856 5354 1 14 . 1 1 63 63 THR HA H 63 4.608 4.608 4.345 0.263 25856 5355 1 14 . 1 1 63 63 THR C C 63 174.873 174.873 173.680 1.193 25856 5356 1 14 . 1 1 63 63 THR CA C 63 62.686 62.686 62.078 0.608 25856 5357 1 14 . 1 1 63 63 THR CB C 63 70.393 70.393 70.473 -0.080 25856 5358 1 14 . 1 1 63 63 THR H H 63 8.415 8.415 8.764 -0.349 25856 5359 1 14 . 1 1 64 64 ARG N N 64 120.138 120.138 121.175 -1.037 25856 5360 1 14 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.750 -0.131 25856 5361 1 14 . 1 1 64 64 ARG C C 64 174.858 174.858 175.140 -0.282 25856 5362 1 14 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.779 0.439 25856 5363 1 14 . 1 1 64 64 ARG CB C 64 34.526 34.526 34.174 0.352 25856 5364 1 14 . 1 1 64 64 ARG H H 64 7.200 7.200 8.706 -1.506 25856 5365 1 14 . 1 1 65 65 GLY N N 65 106.034 106.034 106.876 -0.842 25856 5366 1 14 . 1 1 65 65 GLY C C 65 171.075 171.075 172.057 -0.982 25856 5367 1 14 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.301 0.052 25856 5368 1 14 . 1 1 65 65 GLY H H 65 8.618 8.618 8.087 0.531 25856 5369 1 14 . 1 1 66 66 ARG N N 66 118.635 118.635 119.623 -0.988 25856 5370 1 14 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.437 -0.451 25856 5371 1 14 . 1 1 66 66 ARG C C 66 175.345 175.345 174.323 1.022 25856 5372 1 14 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.432 -0.741 25856 5373 1 14 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.735 -1.324 25856 5374 1 14 . 1 1 66 66 ARG H H 66 8.621 8.621 8.652 -0.031 25856 5375 1 14 . 1 1 67 67 ILE N N 67 125.220 125.220 128.249 -3.029 25856 5376 1 14 . 1 1 67 67 ILE HA H 67 4.402 4.402 5.084 -0.682 25856 5377 1 14 . 1 1 67 67 ILE C C 67 176.084 176.084 176.219 -0.135 25856 5378 1 14 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.190 2.109 25856 5379 1 14 . 1 1 67 67 ILE CB C 67 39.359 39.359 39.036 0.323 25856 5380 1 14 . 1 1 67 67 ILE H H 67 9.083 9.083 9.293 -0.210 25856 5381 1 14 . 1 1 68 68 THR N N 68 117.584 117.584 120.409 -2.825 25856 5382 1 14 . 1 1 68 68 THR HA H 68 4.435 4.435 4.536 -0.101 25856 5383 1 14 . 1 1 68 68 THR C C 68 174.406 174.406 174.327 0.079 25856 5384 1 14 . 1 1 68 68 THR CA C 68 61.164 61.164 62.093 -0.928 25856 5385 1 14 . 1 1 68 68 THR CB C 68 69.514 69.514 70.533 -1.019 25856 5386 1 14 . 1 1 68 68 THR H H 68 8.691 8.691 8.340 0.351 25856 5387 1 14 . 1 1 69 69 TYR N N 69 120.904 120.904 122.341 -1.437 25856 5388 1 14 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.613 -0.260 25856 5389 1 14 . 1 1 69 69 TYR C C 69 172.657 172.657 173.253 -0.596 25856 5390 1 14 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.777 0.957 25856 5391 1 14 . 1 1 69 69 TYR CB C 69 41.431 41.431 40.976 0.455 25856 5392 1 14 . 1 1 69 69 TYR H H 69 7.479 7.479 7.448 0.031 25856 5393 1 14 . 1 1 70 70 ARG N N 70 125.781 125.781 125.484 0.297 25856 5394 1 14 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.602 0.089 25856 5395 1 14 . 1 1 70 70 ARG C C 70 174.016 174.016 173.239 0.777 25856 5396 1 14 . 1 1 70 70 ARG CA C 70 54.661 54.661 53.807 0.854 25856 5397 1 14 . 1 1 70 70 ARG CB C 70 31.816 31.816 32.340 -0.524 25856 5398 1 14 . 1 1 70 70 ARG H H 70 7.439 7.439 7.622 -0.183 25856 5399 1 14 . 1 1 71 71 TYR N N 71 124.942 124.942 122.629 2.313 25856 5400 1 14 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.315 -0.064 25856 5401 1 14 . 1 1 71 71 TYR C C 71 175.278 175.278 174.772 0.506 25856 5402 1 14 . 1 1 71 71 TYR CA C 71 58.445 58.445 58.367 0.078 25856 5403 1 14 . 1 1 71 71 TYR CB C 71 38.803 38.803 38.916 -0.113 25856 5404 1 14 . 1 1 71 71 TYR H H 71 8.478 8.478 9.152 -0.674 25856 5405 1 15 . 1 1 5 5 ASP N N 5 121.636 121.636 121.086 0.550 25856 5406 1 15 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.584 -0.003 25856 5407 1 15 . 1 1 5 5 ASP C C 5 175.317 175.317 175.480 -0.163 25856 5408 1 15 . 1 1 5 5 ASP CA C 5 54.687 54.687 56.377 -1.690 25856 5409 1 15 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.574 -0.314 25856 5410 1 15 . 1 1 5 5 ASP H H 5 8.370 8.370 8.104 0.266 25856 5411 1 15 . 1 1 6 6 VAL N N 6 116.054 116.054 116.715 -0.661 25856 5412 1 15 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.337 0.218 25856 5413 1 15 . 1 1 6 6 VAL C C 6 174.969 174.969 174.133 0.836 25856 5414 1 15 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.589 0.360 25856 5415 1 15 . 1 1 6 6 VAL CB C 6 35.032 35.032 35.144 -0.112 25856 5416 1 15 . 1 1 6 6 VAL H H 6 7.702 7.702 7.610 0.092 25856 5417 1 15 . 1 1 7 7 ILE N N 7 123.240 123.240 124.629 -1.389 25856 5418 1 15 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.428 -0.046 25856 5419 1 15 . 1 1 7 7 ILE C C 7 174.177 174.177 174.814 -0.637 25856 5420 1 15 . 1 1 7 7 ILE CA C 7 60.100 60.100 58.730 1.370 25856 5421 1 15 . 1 1 7 7 ILE CB C 7 40.712 40.712 38.935 1.777 25856 5422 1 15 . 1 1 7 7 ILE H H 7 8.748 8.748 9.264 -0.516 25856 5423 1 15 . 1 1 8 8 GLU N N 8 124.266 124.266 126.391 -2.125 25856 5424 1 15 . 1 1 8 8 GLU HA H 8 5.350 5.350 4.944 0.406 25856 5425 1 15 . 1 1 8 8 GLU C C 8 175.592 175.592 175.536 0.056 25856 5426 1 15 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.876 -1.151 25856 5427 1 15 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.285 3.225 25856 5428 1 15 . 1 1 8 8 GLU H H 8 8.236 8.236 8.715 -0.479 25856 5429 1 15 . 1 1 9 9 LEU N N 9 125.462 125.462 125.270 0.192 25856 5430 1 15 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.760 0.017 25856 5431 1 15 . 1 1 9 9 LEU C C 9 174.654 174.654 175.252 -0.598 25856 5432 1 15 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.589 0.283 25856 5433 1 15 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.476 0.697 25856 5434 1 15 . 1 1 9 9 LEU H H 9 8.947 8.947 9.318 -0.371 25856 5435 1 15 . 1 1 10 10 GLU N N 10 119.884 119.884 119.624 0.260 25856 5436 1 15 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.292 -0.116 25856 5437 1 15 . 1 1 10 10 GLU C C 10 176.424 176.424 175.637 0.787 25856 5438 1 15 . 1 1 10 10 GLU CA C 10 55.272 55.272 55.056 0.216 25856 5439 1 15 . 1 1 10 10 GLU CB C 10 31.815 31.815 33.273 -1.458 25856 5440 1 15 . 1 1 10 10 GLU H H 10 8.697 8.697 9.336 -0.639 25856 5441 1 15 . 1 1 11 11 GLY N N 11 107.302 107.302 110.958 -3.656 25856 5442 1 15 . 1 1 11 11 GLY C C 11 171.493 171.493 172.764 -1.271 25856 5443 1 15 . 1 1 11 11 GLY CA C 11 45.682 45.682 43.834 1.848 25856 5444 1 15 . 1 1 11 11 GLY H H 11 8.896 8.896 8.815 0.081 25856 5445 1 15 . 1 1 12 12 THR N N 12 115.723 115.723 116.867 -1.144 25856 5446 1 15 . 1 1 12 12 THR HA H 12 5.057 5.057 5.197 -0.140 25856 5447 1 15 . 1 1 12 12 THR C C 12 174.347 174.347 173.668 0.679 25856 5448 1 15 . 1 1 12 12 THR CA C 12 61.226 61.226 61.830 -0.603 25856 5449 1 15 . 1 1 12 12 THR CB C 12 71.245 71.245 70.853 0.392 25856 5450 1 15 . 1 1 12 12 THR H H 12 8.551 8.551 9.001 -0.450 25856 5451 1 15 . 1 1 13 13 VAL N N 13 127.141 127.141 127.032 0.109 25856 5452 1 15 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.241 -0.441 25856 5453 1 15 . 1 1 13 13 VAL C C 13 175.760 175.760 174.280 1.480 25856 5454 1 15 . 1 1 13 13 VAL CA C 13 64.518 64.518 60.921 3.597 25856 5455 1 15 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.760 -1.205 25856 5456 1 15 . 1 1 13 13 VAL H H 13 9.135 9.135 8.883 0.252 25856 5457 1 15 . 1 1 14 14 LEU N N 14 129.942 129.942 129.221 0.721 25856 5458 1 15 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.518 0.032 25856 5459 1 15 . 1 1 14 14 LEU C C 14 176.277 176.277 177.062 -0.785 25856 5460 1 15 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.674 0.001 25856 5461 1 15 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.992 1.012 25856 5462 1 15 . 1 1 14 14 LEU H H 14 9.536 9.536 8.369 1.167 25856 5463 1 15 . 1 1 15 15 ASP N N 15 113.621 113.621 118.486 -4.865 25856 5464 1 15 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.009 -0.031 25856 5465 1 15 . 1 1 15 15 ASP C C 15 174.864 174.864 174.735 0.129 25856 5466 1 15 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.353 -0.036 25856 5467 1 15 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.267 0.503 25856 5468 1 15 . 1 1 15 15 ASP H H 15 7.609 7.609 7.844 -0.235 25856 5469 1 15 . 1 1 16 16 THR N N 16 115.901 115.901 112.851 3.050 25856 5470 1 15 . 1 1 16 16 THR HA H 16 4.298 4.298 4.599 -0.301 25856 5471 1 15 . 1 1 16 16 THR C C 16 172.704 172.704 173.923 -1.219 25856 5472 1 15 . 1 1 16 16 THR CA C 16 60.251 60.251 61.586 -1.335 25856 5473 1 15 . 1 1 16 16 THR CB C 16 69.494 69.494 69.624 -0.130 25856 5474 1 15 . 1 1 16 16 THR H H 16 8.841 8.841 8.287 0.554 25856 5475 1 15 . 1 1 17 17 LEU N N 17 125.747 125.747 125.442 0.305 25856 5476 1 15 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.783 -0.100 25856 5477 1 15 . 1 1 17 17 LEU C C 17 174.509 174.509 175.035 -0.526 25856 5478 1 15 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.216 1.578 25856 5479 1 15 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.780 -0.199 25856 5480 1 15 . 1 1 17 17 LEU H H 17 7.913 7.913 7.726 0.187 25856 5481 1 15 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.334 -0.010 25856 5482 1 15 . 1 1 18 18 PRO C C 18 175.973 175.973 176.228 -0.255 25856 5483 1 15 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.090 0.059 25856 5484 1 15 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.030 0.198 25856 5485 1 15 . 1 1 19 19 ASN N N 19 115.147 115.147 117.255 -2.108 25856 5486 1 15 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.355 -0.124 25856 5487 1 15 . 1 1 19 19 ASN C C 19 174.180 174.180 174.784 -0.604 25856 5488 1 15 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.604 0.495 25856 5489 1 15 . 1 1 19 19 ASN CB C 19 36.910 36.910 36.658 0.252 25856 5490 1 15 . 1 1 19 19 ASN H H 19 8.598 8.598 8.801 -0.203 25856 5491 1 15 . 1 1 20 20 ALA N N 20 116.191 116.191 113.098 3.093 25856 5492 1 15 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.652 0.149 25856 5493 1 15 . 1 1 20 20 ALA C C 20 174.990 174.990 175.633 -0.643 25856 5494 1 15 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.142 -0.186 25856 5495 1 15 . 1 1 20 20 ALA CB C 20 16.543 16.543 18.021 -1.478 25856 5496 1 15 . 1 1 20 20 ALA H H 20 8.335 8.335 8.365 -0.030 25856 5497 1 15 . 1 1 21 21 MET N N 21 113.560 113.560 116.727 -3.167 25856 5498 1 15 . 1 1 21 21 MET HA H 21 5.124 5.124 5.290 -0.166 25856 5499 1 15 . 1 1 21 21 MET C C 21 175.205 175.205 174.547 0.658 25856 5500 1 15 . 1 1 21 21 MET CA C 21 54.597 54.597 54.340 0.257 25856 5501 1 15 . 1 1 21 21 MET CB C 21 35.150 35.150 35.388 -0.238 25856 5502 1 15 . 1 1 21 21 MET H H 21 6.302 6.302 7.078 -0.776 25856 5503 1 15 . 1 1 22 22 PHE N N 22 117.199 117.199 119.894 -2.695 25856 5504 1 15 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.762 0.156 25856 5505 1 15 . 1 1 22 22 PHE C C 22 174.697 174.697 173.891 0.806 25856 5506 1 15 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.018 0.114 25856 5507 1 15 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.626 -0.492 25856 5508 1 15 . 1 1 22 22 PHE H H 22 9.007 9.007 9.272 -0.265 25856 5509 1 15 . 1 1 23 23 LYS N N 23 122.934 122.934 124.844 -1.910 25856 5510 1 15 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.947 0.171 25856 5511 1 15 . 1 1 23 23 LYS C C 23 175.853 175.853 174.677 1.176 25856 5512 1 15 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.037 0.559 25856 5513 1 15 . 1 1 23 23 LYS CB C 23 34.022 34.022 32.749 1.273 25856 5514 1 15 . 1 1 23 23 LYS H H 23 8.340 8.340 8.657 -0.317 25856 5515 1 15 . 1 1 24 24 VAL N N 24 128.487 128.487 126.573 1.914 25856 5516 1 15 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.533 0.108 25856 5517 1 15 . 1 1 24 24 VAL C C 24 173.199 173.199 174.055 -0.856 25856 5518 1 15 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.735 -0.030 25856 5519 1 15 . 1 1 24 24 VAL CB C 24 35.609 35.609 35.498 0.111 25856 5520 1 15 . 1 1 24 24 VAL H H 24 9.123 9.123 8.954 0.169 25856 5521 1 15 . 1 1 25 25 GLU N N 25 127.440 127.440 123.480 3.960 25856 5522 1 15 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.294 -0.581 25856 5523 1 15 . 1 1 25 25 GLU C C 25 176.358 176.358 176.336 0.022 25856 5524 1 15 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.280 0.627 25856 5525 1 15 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.924 -0.285 25856 5526 1 15 . 1 1 25 25 GLU H H 25 9.017 9.017 8.809 0.208 25856 5527 1 15 . 1 1 26 26 LEU N N 26 128.629 128.629 124.368 4.261 25856 5528 1 15 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.310 0.494 25856 5529 1 15 . 1 1 26 26 LEU C C 26 179.339 179.339 178.688 0.651 25856 5530 1 15 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.533 -0.712 25856 5531 1 15 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.303 1.265 25856 5532 1 15 . 1 1 26 26 LEU H H 26 9.101 9.101 8.981 0.120 25856 5533 1 15 . 1 1 27 27 GLU N N 27 119.613 119.613 120.978 -1.365 25856 5534 1 15 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.039 0.123 25856 5535 1 15 . 1 1 27 27 GLU C C 27 175.724 175.724 176.943 -1.219 25856 5536 1 15 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.007 -0.618 25856 5537 1 15 . 1 1 27 27 GLU CB C 27 29.682 29.682 28.936 0.746 25856 5538 1 15 . 1 1 27 27 GLU H H 27 8.794 8.794 8.882 -0.088 25856 5539 1 15 . 1 1 28 28 ASN N N 28 114.625 114.625 118.141 -3.516 25856 5540 1 15 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.645 -0.034 25856 5541 1 15 . 1 1 28 28 ASN C C 28 176.299 176.299 175.878 0.421 25856 5542 1 15 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.240 -0.759 25856 5543 1 15 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.545 -0.839 25856 5544 1 15 . 1 1 28 28 ASN H H 28 7.183 7.183 7.834 -0.651 25856 5545 1 15 . 1 1 29 29 GLY N N 29 107.903 107.903 107.302 0.601 25856 5546 1 15 . 1 1 29 29 GLY C C 29 174.243 174.243 173.430 0.813 25856 5547 1 15 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.430 -0.123 25856 5548 1 15 . 1 1 29 29 GLY H H 29 6.899 6.899 7.820 -0.921 25856 5549 1 15 . 1 1 30 30 HIS N N 30 118.953 118.953 118.858 0.095 25856 5550 1 15 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.795 -0.131 25856 5551 1 15 . 1 1 30 30 HIS C C 30 173.476 173.476 173.804 -0.328 25856 5552 1 15 . 1 1 30 30 HIS CA C 30 55.947 55.947 54.587 1.360 25856 5553 1 15 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.681 -1.520 25856 5554 1 15 . 1 1 30 30 HIS H H 30 7.739 7.739 8.078 -0.339 25856 5555 1 15 . 1 1 31 31 GLU N N 31 123.512 123.512 122.423 1.089 25856 5556 1 15 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.912 0.329 25856 5557 1 15 . 1 1 31 31 GLU C C 31 176.181 176.181 174.918 1.263 25856 5558 1 15 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.061 0.027 25856 5559 1 15 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.098 1.785 25856 5560 1 15 . 1 1 31 31 GLU H H 31 8.495 8.495 7.994 0.501 25856 5561 1 15 . 1 1 32 32 ILE N N 32 117.654 117.654 116.285 1.369 25856 5562 1 15 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.898 -0.184 25856 5563 1 15 . 1 1 32 32 ILE C C 32 174.438 174.438 173.897 0.541 25856 5564 1 15 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.566 -0.377 25856 5565 1 15 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.977 1.257 25856 5566 1 15 . 1 1 32 32 ILE H H 32 9.005 9.005 8.917 0.088 25856 5567 1 15 . 1 1 33 33 LEU N N 33 122.166 122.166 123.797 -1.631 25856 5568 1 15 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.164 0.053 25856 5569 1 15 . 1 1 33 33 LEU C C 33 176.190 176.190 176.664 -0.474 25856 5570 1 15 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.611 0.232 25856 5571 1 15 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.864 0.894 25856 5572 1 15 . 1 1 33 33 LEU H H 33 7.713 7.713 8.497 -0.784 25856 5573 1 15 . 1 1 34 34 ALA N N 34 125.096 125.096 127.404 -2.308 25856 5574 1 15 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.501 -0.009 25856 5575 1 15 . 1 1 34 34 ALA C C 34 175.700 175.700 175.468 0.232 25856 5576 1 15 . 1 1 34 34 ALA CA C 34 50.257 50.257 49.885 0.372 25856 5577 1 15 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.160 -0.010 25856 5578 1 15 . 1 1 34 34 ALA H H 34 9.442 9.442 9.455 -0.013 25856 5579 1 15 . 1 1 35 35 HIS N N 35 117.670 117.670 120.057 -2.387 25856 5580 1 15 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.701 -0.193 25856 5581 1 15 . 1 1 35 35 HIS C C 35 174.787 174.787 174.968 -0.181 25856 5582 1 15 . 1 1 35 35 HIS CA C 35 54.429 54.429 55.102 -0.673 25856 5583 1 15 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.887 -0.709 25856 5584 1 15 . 1 1 35 35 HIS H H 35 7.751 7.751 8.731 -0.980 25856 5585 1 15 . 1 1 36 36 VAL N N 36 119.236 119.236 122.845 -3.609 25856 5586 1 15 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.572 -0.170 25856 5587 1 15 . 1 1 36 36 VAL C C 36 175.551 175.551 175.730 -0.179 25856 5588 1 15 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.087 1.246 25856 5589 1 15 . 1 1 36 36 VAL CB C 36 33.389 33.389 33.075 0.314 25856 5590 1 15 . 1 1 36 36 VAL H H 36 9.217 9.217 7.941 1.276 25856 5591 1 15 . 1 1 37 37 SER N N 37 119.884 119.884 119.514 0.370 25856 5592 1 15 . 1 1 37 37 SER HA H 37 4.425 4.425 4.418 0.007 25856 5593 1 15 . 1 1 37 37 SER C C 37 175.003 175.003 176.148 -1.145 25856 5594 1 15 . 1 1 37 37 SER CA C 37 57.971 57.971 58.401 -0.430 25856 5595 1 15 . 1 1 37 37 SER CB C 37 64.761 64.761 64.611 0.151 25856 5596 1 15 . 1 1 37 37 SER H H 37 8.375 8.375 8.517 -0.142 25856 5597 1 15 . 1 1 38 38 GLY N N 38 122.166 122.166 108.800 13.366 25856 5598 1 15 . 1 1 38 38 GLY C C 38 175.253 175.253 176.320 -1.067 25856 5599 1 15 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.844 -0.089 25856 5600 1 15 . 1 1 38 38 GLY H H 38 8.822 8.822 8.972 -0.150 25856 5601 1 15 . 1 1 39 39 LYS N N 39 120.070 120.070 121.744 -1.674 25856 5602 1 15 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.207 -0.150 25856 5603 1 15 . 1 1 39 39 LYS C C 39 177.734 177.734 178.027 -0.293 25856 5604 1 15 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.274 -0.238 25856 5605 1 15 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.306 0.682 25856 5606 1 15 . 1 1 39 39 LYS H H 39 8.135 8.135 7.469 0.666 25856 5607 1 15 . 1 1 40 40 ILE N N 40 117.925 117.925 119.326 -1.401 25856 5608 1 15 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.853 0.177 25856 5609 1 15 . 1 1 40 40 ILE C C 40 176.736 176.736 178.754 -2.018 25856 5610 1 15 . 1 1 40 40 ILE CA C 40 61.757 61.757 64.489 -2.732 25856 5611 1 15 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.189 -0.387 25856 5612 1 15 . 1 1 40 40 ILE H H 40 7.416 7.416 7.463 -0.047 25856 5613 1 15 . 1 1 41 41 ARG N N 41 122.141 122.141 120.702 1.439 25856 5614 1 15 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.081 0.025 25856 5615 1 15 . 1 1 41 41 ARG C C 41 177.543 177.543 177.743 -0.200 25856 5616 1 15 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.581 -0.545 25856 5617 1 15 . 1 1 41 41 ARG CB C 41 30.110 30.110 29.906 0.204 25856 5618 1 15 . 1 1 41 41 ARG H H 41 7.912 7.912 8.025 -0.113 25856 5619 1 15 . 1 1 42 42 MET N N 42 118.223 118.223 116.683 1.540 25856 5620 1 15 . 1 1 42 42 MET HA H 42 4.281 4.281 4.309 -0.028 25856 5621 1 15 . 1 1 42 42 MET C C 42 175.862 175.862 176.196 -0.334 25856 5622 1 15 . 1 1 42 42 MET CA C 42 56.299 56.299 57.066 -0.767 25856 5623 1 15 . 1 1 42 42 MET CB C 42 32.465 32.465 32.881 -0.416 25856 5624 1 15 . 1 1 42 42 MET H H 42 8.090 8.090 7.899 0.191 25856 5625 1 15 . 1 1 43 43 ASN N N 43 117.020 117.020 116.821 0.199 25856 5626 1 15 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.761 -0.139 25856 5627 1 15 . 1 1 43 43 ASN C C 43 174.616 174.616 174.216 0.400 25856 5628 1 15 . 1 1 43 43 ASN CA C 43 53.276 53.276 51.785 1.491 25856 5629 1 15 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.450 -1.619 25856 5630 1 15 . 1 1 43 43 ASN H H 43 7.843 7.843 7.306 0.537 25856 5631 1 15 . 1 1 44 44 TYR N N 44 117.998 117.998 119.173 -1.175 25856 5632 1 15 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.546 -0.199 25856 5633 1 15 . 1 1 44 44 TYR C C 44 175.211 175.211 175.367 -0.156 25856 5634 1 15 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.544 0.108 25856 5635 1 15 . 1 1 44 44 TYR CB C 44 37.603 37.603 36.142 1.461 25856 5636 1 15 . 1 1 44 44 TYR H H 44 7.712 7.712 8.719 -1.007 25856 5637 1 15 . 1 1 45 45 ILE N N 45 120.711 120.711 120.819 -0.108 25856 5638 1 15 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.526 -0.583 25856 5639 1 15 . 1 1 45 45 ILE C C 45 173.895 173.895 175.894 -1.999 25856 5640 1 15 . 1 1 45 45 ILE CA C 45 61.254 61.254 59.331 1.923 25856 5641 1 15 . 1 1 45 45 ILE CB C 45 38.574 38.574 38.928 -0.354 25856 5642 1 15 . 1 1 45 45 ILE H H 45 7.466 7.466 7.755 -0.289 25856 5643 1 15 . 1 1 46 46 ARG N N 46 124.912 124.912 123.748 1.164 25856 5644 1 15 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.635 -0.251 25856 5645 1 15 . 1 1 46 46 ARG C C 46 174.759 174.759 174.838 -0.079 25856 5646 1 15 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.569 -0.035 25856 5647 1 15 . 1 1 46 46 ARG CB C 46 30.762 30.762 30.877 -0.115 25856 5648 1 15 . 1 1 46 46 ARG H H 46 8.077 8.077 8.409 -0.332 25856 5649 1 15 . 1 1 47 47 ILE N N 47 125.326 125.326 123.074 2.252 25856 5650 1 15 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.199 -0.175 25856 5651 1 15 . 1 1 47 47 ILE C C 47 173.922 173.922 175.292 -1.370 25856 5652 1 15 . 1 1 47 47 ILE CA C 47 60.862 60.862 59.249 1.613 25856 5653 1 15 . 1 1 47 47 ILE CB C 47 37.726 37.726 38.543 -0.817 25856 5654 1 15 . 1 1 47 47 ILE H H 47 7.966 7.966 8.454 -0.488 25856 5655 1 15 . 1 1 48 48 LEU N N 48 128.989 128.989 129.785 -0.796 25856 5656 1 15 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.929 -0.065 25856 5657 1 15 . 1 1 48 48 LEU C C 48 174.217 174.217 174.360 -0.143 25856 5658 1 15 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.262 0.453 25856 5659 1 15 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.837 -1.314 25856 5660 1 15 . 1 1 48 48 LEU H H 48 8.765 8.765 8.095 0.670 25856 5661 1 15 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.404 -0.546 25856 5662 1 15 . 1 1 49 49 PRO C C 49 176.960 176.960 177.235 -0.275 25856 5663 1 15 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.166 -0.225 25856 5664 1 15 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.496 -0.240 25856 5665 1 15 . 1 1 50 50 GLY N N 50 114.638 114.638 113.761 0.877 25856 5666 1 15 . 1 1 50 50 GLY C C 50 174.448 174.448 174.277 0.171 25856 5667 1 15 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.759 -0.052 25856 5668 1 15 . 1 1 50 50 GLY H H 50 9.317 9.317 9.150 0.167 25856 5669 1 15 . 1 1 51 51 ASP N N 51 121.882 121.882 121.217 0.665 25856 5670 1 15 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.698 -0.165 25856 5671 1 15 . 1 1 51 51 ASP C C 51 175.327 175.327 174.507 0.820 25856 5672 1 15 . 1 1 51 51 ASP CA C 51 55.393 55.393 53.772 1.621 25856 5673 1 15 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.719 -1.522 25856 5674 1 15 . 1 1 51 51 ASP H H 51 8.099 8.099 7.964 0.135 25856 5675 1 15 . 1 1 52 52 LYS N N 52 121.338 121.338 121.075 0.263 25856 5676 1 15 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.071 0.016 25856 5677 1 15 . 1 1 52 52 LYS C C 52 176.315 176.315 175.114 1.201 25856 5678 1 15 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.000 -0.348 25856 5679 1 15 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.397 -1.800 25856 5680 1 15 . 1 1 52 52 LYS H H 52 8.410 8.410 8.205 0.205 25856 5681 1 15 . 1 1 53 53 VAL N N 53 114.761 114.761 121.525 -6.764 25856 5682 1 15 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.472 0.778 25856 5683 1 15 . 1 1 53 53 VAL C C 53 174.278 174.278 174.135 0.143 25856 5684 1 15 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.562 -1.582 25856 5685 1 15 . 1 1 53 53 VAL CB C 53 36.262 36.262 34.993 1.269 25856 5686 1 15 . 1 1 53 53 VAL H H 53 8.693 8.693 9.081 -0.388 25856 5687 1 15 . 1 1 54 54 THR N N 54 117.231 117.231 119.412 -2.181 25856 5688 1 15 . 1 1 54 54 THR HA H 54 4.837 4.837 4.815 0.022 25856 5689 1 15 . 1 1 54 54 THR C C 54 173.923 173.923 173.376 0.547 25856 5690 1 15 . 1 1 54 54 THR CA C 54 62.448 62.448 62.784 -0.336 25856 5691 1 15 . 1 1 54 54 THR CB C 54 69.891 69.891 68.706 1.185 25856 5692 1 15 . 1 1 54 54 THR H H 54 8.296 8.296 8.766 -0.470 25856 5693 1 15 . 1 1 55 55 VAL N N 55 124.203 124.203 127.513 -3.310 25856 5694 1 15 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.958 -0.126 25856 5695 1 15 . 1 1 55 55 VAL C C 55 174.106 174.106 173.623 0.483 25856 5696 1 15 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.094 0.457 25856 5697 1 15 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.831 -0.255 25856 5698 1 15 . 1 1 55 55 VAL H H 55 9.331 9.331 9.304 0.027 25856 5699 1 15 . 1 1 56 56 GLU N N 56 123.984 123.984 127.779 -3.795 25856 5700 1 15 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.504 -0.284 25856 5701 1 15 . 1 1 56 56 GLU C C 56 176.645 176.645 175.484 1.161 25856 5702 1 15 . 1 1 56 56 GLU CA C 56 54.402 54.402 54.272 0.130 25856 5703 1 15 . 1 1 56 56 GLU CB C 56 32.700 32.700 31.567 1.133 25856 5704 1 15 . 1 1 56 56 GLU H H 56 9.143 9.143 8.997 0.146 25856 5705 1 15 . 1 1 57 57 MET N N 57 123.465 123.465 119.366 4.099 25856 5706 1 15 . 1 1 57 57 MET HA H 57 4.795 4.795 5.008 -0.213 25856 5707 1 15 . 1 1 57 57 MET C C 57 174.899 174.899 174.416 0.483 25856 5708 1 15 . 1 1 57 57 MET CA C 57 54.339 54.339 54.318 0.021 25856 5709 1 15 . 1 1 57 57 MET CB C 57 36.252 36.252 37.640 -1.388 25856 5710 1 15 . 1 1 57 57 MET H H 57 9.173 9.173 9.283 -0.110 25856 5711 1 15 . 1 1 58 58 SER N N 58 117.390 117.390 116.720 0.670 25856 5712 1 15 . 1 1 58 58 SER HA H 58 5.039 5.039 4.963 0.076 25856 5713 1 15 . 1 1 58 58 SER C C 58 174.693 174.693 174.741 -0.048 25856 5714 1 15 . 1 1 58 58 SER CA C 58 54.932 54.932 56.600 -1.668 25856 5715 1 15 . 1 1 58 58 SER CB C 58 64.587 64.587 62.910 1.677 25856 5716 1 15 . 1 1 58 58 SER H H 58 9.184 9.184 9.245 -0.061 25856 5717 1 15 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.397 -0.291 25856 5718 1 15 . 1 1 59 59 PRO C C 59 176.290 176.290 176.599 -0.309 25856 5719 1 15 . 1 1 59 59 PRO CA C 59 63.853 63.853 65.271 -1.418 25856 5720 1 15 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.499 0.267 25856 5721 1 15 . 1 1 60 60 TYR N N 60 113.938 113.938 116.488 -2.550 25856 5722 1 15 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.506 -0.017 25856 5723 1 15 . 1 1 60 60 TYR C C 60 175.439 175.439 175.603 -0.164 25856 5724 1 15 . 1 1 60 60 TYR CA C 60 57.342 57.342 58.242 -0.900 25856 5725 1 15 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.241 -0.948 25856 5726 1 15 . 1 1 60 60 TYR H H 60 7.307 7.307 7.980 -0.673 25856 5727 1 15 . 1 1 61 61 ASP N N 61 118.283 118.283 119.301 -1.018 25856 5728 1 15 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.461 0.306 25856 5729 1 15 . 1 1 61 61 ASP C C 61 174.996 174.996 176.645 -1.649 25856 5730 1 15 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.537 -0.695 25856 5731 1 15 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.045 -0.623 25856 5732 1 15 . 1 1 61 61 ASP H H 61 7.418 7.418 7.823 -0.405 25856 5733 1 15 . 1 1 62 62 LEU N N 62 124.044 124.044 117.108 6.936 25856 5734 1 15 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.984 0.503 25856 5735 1 15 . 1 1 62 62 LEU C C 62 177.109 177.109 176.235 0.874 25856 5736 1 15 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.766 -0.536 25856 5737 1 15 . 1 1 62 62 LEU CB C 62 40.930 40.930 39.670 1.260 25856 5738 1 15 . 1 1 62 62 LEU H H 62 8.743 8.743 8.446 0.297 25856 5739 1 15 . 1 1 63 63 THR N N 63 107.624 107.624 113.691 -6.067 25856 5740 1 15 . 1 1 63 63 THR HA H 63 4.608 4.608 4.691 -0.083 25856 5741 1 15 . 1 1 63 63 THR C C 63 174.873 174.873 173.188 1.685 25856 5742 1 15 . 1 1 63 63 THR CA C 63 62.686 62.686 62.908 -0.222 25856 5743 1 15 . 1 1 63 63 THR CB C 63 70.393 70.393 70.714 -0.321 25856 5744 1 15 . 1 1 63 63 THR H H 63 8.415 8.415 8.944 -0.529 25856 5745 1 15 . 1 1 64 64 ARG N N 64 120.138 120.138 123.370 -3.232 25856 5746 1 15 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.347 0.272 25856 5747 1 15 . 1 1 64 64 ARG C C 64 174.858 174.858 174.385 0.473 25856 5748 1 15 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.939 0.279 25856 5749 1 15 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.277 1.249 25856 5750 1 15 . 1 1 64 64 ARG H H 64 7.200 7.200 8.880 -1.680 25856 5751 1 15 . 1 1 65 65 GLY N N 65 106.034 106.034 110.668 -4.634 25856 5752 1 15 . 1 1 65 65 GLY C C 65 171.075 171.075 172.074 -0.999 25856 5753 1 15 . 1 1 65 65 GLY CA C 65 45.353 45.353 44.777 0.576 25856 5754 1 15 . 1 1 65 65 GLY H H 65 8.618 8.618 8.256 0.362 25856 5755 1 15 . 1 1 66 66 ARG N N 66 118.635 118.635 120.079 -1.444 25856 5756 1 15 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.502 -0.516 25856 5757 1 15 . 1 1 66 66 ARG C C 66 175.345 175.345 174.402 0.943 25856 5758 1 15 . 1 1 66 66 ARG CA C 66 53.691 53.691 53.614 0.077 25856 5759 1 15 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.551 -1.140 25856 5760 1 15 . 1 1 66 66 ARG H H 66 8.621 8.621 8.449 0.172 25856 5761 1 15 . 1 1 67 67 ILE N N 67 125.220 125.220 128.031 -2.811 25856 5762 1 15 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.917 -0.515 25856 5763 1 15 . 1 1 67 67 ILE C C 67 176.084 176.084 176.437 -0.353 25856 5764 1 15 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.213 2.086 25856 5765 1 15 . 1 1 67 67 ILE CB C 67 39.359 39.359 39.019 0.340 25856 5766 1 15 . 1 1 67 67 ILE H H 67 9.083 9.083 9.079 0.004 25856 5767 1 15 . 1 1 68 68 THR N N 68 117.584 117.584 123.449 -5.865 25856 5768 1 15 . 1 1 68 68 THR HA H 68 4.435 4.435 4.489 -0.054 25856 5769 1 15 . 1 1 68 68 THR C C 68 174.406 174.406 174.452 -0.046 25856 5770 1 15 . 1 1 68 68 THR CA C 68 61.164 61.164 62.897 -1.733 25856 5771 1 15 . 1 1 68 68 THR CB C 68 69.514 69.514 69.945 -0.432 25856 5772 1 15 . 1 1 68 68 THR H H 68 8.691 8.691 8.497 0.194 25856 5773 1 15 . 1 1 69 69 TYR N N 69 120.904 120.904 121.487 -0.583 25856 5774 1 15 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.700 -0.347 25856 5775 1 15 . 1 1 69 69 TYR C C 69 172.657 172.657 173.256 -0.599 25856 5776 1 15 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.441 1.293 25856 5777 1 15 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.818 -0.387 25856 5778 1 15 . 1 1 69 69 TYR H H 69 7.479 7.479 7.439 0.041 25856 5779 1 15 . 1 1 70 70 ARG N N 70 125.781 125.781 125.162 0.619 25856 5780 1 15 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.316 0.375 25856 5781 1 15 . 1 1 70 70 ARG C C 70 174.016 174.016 173.615 0.401 25856 5782 1 15 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.969 -0.308 25856 5783 1 15 . 1 1 70 70 ARG CB C 70 31.816 31.816 31.014 0.802 25856 5784 1 15 . 1 1 70 70 ARG H H 70 7.439 7.439 8.047 -0.608 25856 5785 1 15 . 1 1 71 71 TYR N N 71 124.942 124.942 128.694 -3.752 25856 5786 1 15 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.425 -0.174 25856 5787 1 15 . 1 1 71 71 TYR C C 71 175.278 175.278 173.250 2.028 25856 5788 1 15 . 1 1 71 71 TYR CA C 71 58.445 58.445 56.735 1.710 25856 5789 1 15 . 1 1 71 71 TYR CB C 71 38.803 38.803 40.691 -1.888 25856 5790 1 15 . 1 1 71 71 TYR H H 71 8.478 8.478 8.084 0.394 25856 5791 1 16 . 1 1 5 5 ASP N N 5 121.636 121.636 114.156 7.480 25856 5792 1 16 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.338 0.243 25856 5793 1 16 . 1 1 5 5 ASP C C 5 175.317 175.317 174.733 0.584 25856 5794 1 16 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.443 -0.756 25856 5795 1 16 . 1 1 5 5 ASP CB C 5 41.260 41.260 39.664 1.595 25856 5796 1 16 . 1 1 5 5 ASP H H 5 8.370 8.370 8.363 0.007 25856 5797 1 16 . 1 1 6 6 VAL N N 6 116.054 116.054 116.205 -0.151 25856 5798 1 16 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.188 0.367 25856 5799 1 16 . 1 1 6 6 VAL C C 6 174.969 174.969 174.650 0.319 25856 5800 1 16 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.897 0.052 25856 5801 1 16 . 1 1 6 6 VAL CB C 6 35.032 35.032 34.095 0.937 25856 5802 1 16 . 1 1 6 6 VAL H H 6 7.702 7.702 7.183 0.519 25856 5803 1 16 . 1 1 7 7 ILE N N 7 123.240 123.240 122.563 0.677 25856 5804 1 16 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.341 0.041 25856 5805 1 16 . 1 1 7 7 ILE C C 7 174.177 174.177 174.551 -0.374 25856 5806 1 16 . 1 1 7 7 ILE CA C 7 60.100 60.100 58.889 1.211 25856 5807 1 16 . 1 1 7 7 ILE CB C 7 40.712 40.712 37.119 3.593 25856 5808 1 16 . 1 1 7 7 ILE H H 7 8.748 8.748 8.729 0.019 25856 5809 1 16 . 1 1 8 8 GLU N N 8 124.266 124.266 128.357 -4.091 25856 5810 1 16 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.067 0.283 25856 5811 1 16 . 1 1 8 8 GLU C C 8 175.592 175.592 175.575 0.017 25856 5812 1 16 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.739 -1.015 25856 5813 1 16 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.579 2.930 25856 5814 1 16 . 1 1 8 8 GLU H H 8 8.236 8.236 8.771 -0.535 25856 5815 1 16 . 1 1 9 9 LEU N N 9 125.462 125.462 125.608 -0.146 25856 5816 1 16 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.760 0.017 25856 5817 1 16 . 1 1 9 9 LEU C C 9 174.654 174.654 175.833 -1.179 25856 5818 1 16 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.525 0.347 25856 5819 1 16 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.469 0.704 25856 5820 1 16 . 1 1 9 9 LEU H H 9 8.947 8.947 9.079 -0.132 25856 5821 1 16 . 1 1 10 10 GLU N N 10 119.884 119.884 119.666 0.218 25856 5822 1 16 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.647 -0.471 25856 5823 1 16 . 1 1 10 10 GLU C C 10 176.424 176.424 176.281 0.143 25856 5824 1 16 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.277 0.995 25856 5825 1 16 . 1 1 10 10 GLU CB C 10 31.815 31.815 33.276 -1.461 25856 5826 1 16 . 1 1 10 10 GLU H H 10 8.697 8.697 8.578 0.119 25856 5827 1 16 . 1 1 11 11 GLY N N 11 107.302 107.302 109.068 -1.766 25856 5828 1 16 . 1 1 11 11 GLY C C 11 171.493 171.493 172.455 -0.962 25856 5829 1 16 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.502 0.180 25856 5830 1 16 . 1 1 11 11 GLY H H 11 8.896 8.896 7.982 0.914 25856 5831 1 16 . 1 1 12 12 THR N N 12 115.723 115.723 117.029 -1.306 25856 5832 1 16 . 1 1 12 12 THR HA H 12 5.057 5.057 5.104 -0.047 25856 5833 1 16 . 1 1 12 12 THR C C 12 174.347 174.347 173.328 1.019 25856 5834 1 16 . 1 1 12 12 THR CA C 12 61.226 61.226 61.782 -0.556 25856 5835 1 16 . 1 1 12 12 THR CB C 12 71.245 71.245 71.369 -0.124 25856 5836 1 16 . 1 1 12 12 THR H H 12 8.551 8.551 9.027 -0.476 25856 5837 1 16 . 1 1 13 13 VAL N N 13 127.141 127.141 127.370 -0.229 25856 5838 1 16 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.347 -0.547 25856 5839 1 16 . 1 1 13 13 VAL C C 13 175.760 175.760 174.060 1.700 25856 5840 1 16 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.366 3.152 25856 5841 1 16 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.126 -1.571 25856 5842 1 16 . 1 1 13 13 VAL H H 13 9.135 9.135 8.808 0.327 25856 5843 1 16 . 1 1 14 14 LEU N N 14 129.942 129.942 130.082 -0.140 25856 5844 1 16 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.551 -0.001 25856 5845 1 16 . 1 1 14 14 LEU C C 14 176.277 176.277 176.714 -0.437 25856 5846 1 16 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.959 -0.284 25856 5847 1 16 . 1 1 14 14 LEU CB C 14 44.004 44.004 43.106 0.898 25856 5848 1 16 . 1 1 14 14 LEU H H 14 9.536 9.536 8.645 0.891 25856 5849 1 16 . 1 1 15 15 ASP N N 15 113.621 113.621 118.680 -5.059 25856 5850 1 16 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.957 0.021 25856 5851 1 16 . 1 1 15 15 ASP C C 15 174.864 174.864 174.752 0.112 25856 5852 1 16 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.157 0.161 25856 5853 1 16 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.201 0.569 25856 5854 1 16 . 1 1 15 15 ASP H H 15 7.609 7.609 7.860 -0.251 25856 5855 1 16 . 1 1 16 16 THR N N 16 115.901 115.901 113.541 2.360 25856 5856 1 16 . 1 1 16 16 THR HA H 16 4.298 4.298 4.274 0.024 25856 5857 1 16 . 1 1 16 16 THR C C 16 172.704 172.704 173.485 -0.781 25856 5858 1 16 . 1 1 16 16 THR CA C 16 60.251 60.251 61.540 -1.289 25856 5859 1 16 . 1 1 16 16 THR CB C 16 69.494 69.494 69.031 0.463 25856 5860 1 16 . 1 1 16 16 THR H H 16 8.841 8.841 8.297 0.544 25856 5861 1 16 . 1 1 17 17 LEU N N 17 125.747 125.747 125.558 0.189 25856 5862 1 16 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.734 -0.051 25856 5863 1 16 . 1 1 17 17 LEU C C 17 174.509 174.509 174.983 -0.474 25856 5864 1 16 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.268 1.526 25856 5865 1 16 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.473 0.108 25856 5866 1 16 . 1 1 17 17 LEU H H 17 7.913 7.913 8.035 -0.122 25856 5867 1 16 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.245 0.079 25856 5868 1 16 . 1 1 18 18 PRO C C 18 175.973 175.973 176.677 -0.704 25856 5869 1 16 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.275 -0.126 25856 5870 1 16 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.049 0.179 25856 5871 1 16 . 1 1 19 19 ASN N N 19 115.147 115.147 118.817 -3.670 25856 5872 1 16 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.308 -0.077 25856 5873 1 16 . 1 1 19 19 ASN C C 19 174.180 174.180 174.764 -0.584 25856 5874 1 16 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.472 0.627 25856 5875 1 16 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.804 -0.894 25856 5876 1 16 . 1 1 19 19 ASN H H 19 8.598 8.598 8.788 -0.190 25856 5877 1 16 . 1 1 20 20 ALA N N 20 116.191 116.191 114.122 2.069 25856 5878 1 16 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.600 0.201 25856 5879 1 16 . 1 1 20 20 ALA C C 20 174.990 174.990 175.525 -0.535 25856 5880 1 16 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.027 -0.071 25856 5881 1 16 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.472 -0.929 25856 5882 1 16 . 1 1 20 20 ALA H H 20 8.335 8.335 8.095 0.240 25856 5883 1 16 . 1 1 21 21 MET N N 21 113.560 113.560 117.171 -3.611 25856 5884 1 16 . 1 1 21 21 MET HA H 21 5.124 5.124 5.019 0.104 25856 5885 1 16 . 1 1 21 21 MET C C 21 175.205 175.205 175.255 -0.050 25856 5886 1 16 . 1 1 21 21 MET CA C 21 54.597 54.597 54.573 0.024 25856 5887 1 16 . 1 1 21 21 MET CB C 21 35.150 35.150 33.929 1.221 25856 5888 1 16 . 1 1 21 21 MET H H 21 6.302 6.302 7.044 -0.742 25856 5889 1 16 . 1 1 22 22 PHE N N 22 117.199 117.199 120.034 -2.835 25856 5890 1 16 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.834 0.084 25856 5891 1 16 . 1 1 22 22 PHE C C 22 174.697 174.697 174.181 0.516 25856 5892 1 16 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.005 0.127 25856 5893 1 16 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.363 -0.229 25856 5894 1 16 . 1 1 22 22 PHE H H 22 9.007 9.007 9.410 -0.403 25856 5895 1 16 . 1 1 23 23 LYS N N 23 122.934 122.934 125.460 -2.526 25856 5896 1 16 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.882 0.235 25856 5897 1 16 . 1 1 23 23 LYS C C 23 175.853 175.853 174.875 0.978 25856 5898 1 16 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.757 -0.161 25856 5899 1 16 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.154 0.869 25856 5900 1 16 . 1 1 23 23 LYS H H 23 8.340 8.340 8.918 -0.578 25856 5901 1 16 . 1 1 24 24 VAL N N 24 128.487 128.487 127.185 1.302 25856 5902 1 16 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.522 0.119 25856 5903 1 16 . 1 1 24 24 VAL C C 24 173.199 173.199 174.575 -1.376 25856 5904 1 16 . 1 1 24 24 VAL CA C 24 60.705 60.705 61.281 -0.576 25856 5905 1 16 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.480 1.129 25856 5906 1 16 . 1 1 24 24 VAL H H 24 9.123 9.123 8.855 0.268 25856 5907 1 16 . 1 1 25 25 GLU N N 25 127.440 127.440 125.337 2.103 25856 5908 1 16 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.229 -0.516 25856 5909 1 16 . 1 1 25 25 GLU C C 25 176.358 176.358 176.227 0.131 25856 5910 1 16 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.298 0.609 25856 5911 1 16 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.810 -0.171 25856 5912 1 16 . 1 1 25 25 GLU H H 25 9.017 9.017 9.064 -0.047 25856 5913 1 16 . 1 1 26 26 LEU N N 26 128.629 128.629 124.768 3.861 25856 5914 1 16 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.285 0.519 25856 5915 1 16 . 1 1 26 26 LEU C C 26 179.339 179.339 178.497 0.842 25856 5916 1 16 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.772 -0.950 25856 5917 1 16 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.464 1.104 25856 5918 1 16 . 1 1 26 26 LEU H H 26 9.101 9.101 9.136 -0.035 25856 5919 1 16 . 1 1 27 27 GLU N N 27 119.613 119.613 121.767 -2.154 25856 5920 1 16 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.091 0.071 25856 5921 1 16 . 1 1 27 27 GLU C C 27 175.724 175.724 177.354 -1.630 25856 5922 1 16 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.838 -0.449 25856 5923 1 16 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.025 0.657 25856 5924 1 16 . 1 1 27 27 GLU H H 27 8.794 8.794 8.926 -0.132 25856 5925 1 16 . 1 1 28 28 ASN N N 28 114.625 114.625 115.989 -1.364 25856 5926 1 16 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.706 -0.095 25856 5927 1 16 . 1 1 28 28 ASN C C 28 176.299 176.299 176.126 0.173 25856 5928 1 16 . 1 1 28 28 ASN CA C 28 52.481 52.481 52.852 -0.371 25856 5929 1 16 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.885 -1.179 25856 5930 1 16 . 1 1 28 28 ASN H H 28 7.183 7.183 7.930 -0.747 25856 5931 1 16 . 1 1 29 29 GLY N N 29 107.903 107.903 107.605 0.298 25856 5932 1 16 . 1 1 29 29 GLY C C 29 174.243 174.243 173.694 0.549 25856 5933 1 16 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.464 -0.157 25856 5934 1 16 . 1 1 29 29 GLY H H 29 6.899 6.899 8.183 -1.284 25856 5935 1 16 . 1 1 30 30 HIS N N 30 118.953 118.953 119.008 -0.055 25856 5936 1 16 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.749 -0.085 25856 5937 1 16 . 1 1 30 30 HIS C C 30 173.476 173.476 173.972 -0.496 25856 5938 1 16 . 1 1 30 30 HIS CA C 30 55.947 55.947 54.908 1.039 25856 5939 1 16 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.782 -1.621 25856 5940 1 16 . 1 1 30 30 HIS H H 30 7.739 7.739 7.794 -0.055 25856 5941 1 16 . 1 1 31 31 GLU N N 31 123.512 123.512 122.332 1.180 25856 5942 1 16 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.854 0.387 25856 5943 1 16 . 1 1 31 31 GLU C C 31 176.181 176.181 175.139 1.042 25856 5944 1 16 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.137 -0.049 25856 5945 1 16 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.299 1.584 25856 5946 1 16 . 1 1 31 31 GLU H H 31 8.495 8.495 7.945 0.550 25856 5947 1 16 . 1 1 32 32 ILE N N 32 117.654 117.654 116.164 1.490 25856 5948 1 16 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.864 -0.150 25856 5949 1 16 . 1 1 32 32 ILE C C 32 174.438 174.438 173.859 0.579 25856 5950 1 16 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.679 -0.489 25856 5951 1 16 . 1 1 32 32 ILE CB C 32 43.234 43.234 42.063 1.171 25856 5952 1 16 . 1 1 32 32 ILE H H 32 9.005 9.005 8.989 0.016 25856 5953 1 16 . 1 1 33 33 LEU N N 33 122.166 122.166 123.217 -1.051 25856 5954 1 16 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.203 0.014 25856 5955 1 16 . 1 1 33 33 LEU C C 33 176.190 176.190 175.808 0.382 25856 5956 1 16 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.425 0.418 25856 5957 1 16 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.491 0.267 25856 5958 1 16 . 1 1 33 33 LEU H H 33 7.713 7.713 8.930 -1.217 25856 5959 1 16 . 1 1 34 34 ALA N N 34 125.096 125.096 125.363 -0.267 25856 5960 1 16 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.494 -0.002 25856 5961 1 16 . 1 1 34 34 ALA C C 34 175.700 175.700 175.373 0.327 25856 5962 1 16 . 1 1 34 34 ALA CA C 34 50.257 50.257 49.878 0.379 25856 5963 1 16 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.043 0.108 25856 5964 1 16 . 1 1 34 34 ALA H H 34 9.442 9.442 9.301 0.141 25856 5965 1 16 . 1 1 35 35 HIS N N 35 117.670 117.670 120.172 -2.502 25856 5966 1 16 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.741 -0.233 25856 5967 1 16 . 1 1 35 35 HIS C C 35 174.787 174.787 175.062 -0.275 25856 5968 1 16 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.901 -0.472 25856 5969 1 16 . 1 1 35 35 HIS CB C 35 33.178 33.178 34.065 -0.886 25856 5970 1 16 . 1 1 35 35 HIS H H 35 7.751 7.751 8.845 -1.094 25856 5971 1 16 . 1 1 36 36 VAL N N 36 119.236 119.236 121.562 -2.326 25856 5972 1 16 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.535 -0.133 25856 5973 1 16 . 1 1 36 36 VAL C C 36 175.551 175.551 176.029 -0.478 25856 5974 1 16 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.602 0.731 25856 5975 1 16 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.884 0.505 25856 5976 1 16 . 1 1 36 36 VAL H H 36 9.217 9.217 7.835 1.382 25856 5977 1 16 . 1 1 37 37 SER N N 37 119.884 119.884 118.638 1.246 25856 5978 1 16 . 1 1 37 37 SER HA H 37 4.425 4.425 4.461 -0.036 25856 5979 1 16 . 1 1 37 37 SER C C 37 175.003 175.003 176.135 -1.132 25856 5980 1 16 . 1 1 37 37 SER CA C 37 57.971 57.971 58.557 -0.586 25856 5981 1 16 . 1 1 37 37 SER CB C 37 64.761 64.761 64.643 0.118 25856 5982 1 16 . 1 1 37 37 SER H H 37 8.375 8.375 8.159 0.216 25856 5983 1 16 . 1 1 38 38 GLY N N 38 122.166 122.166 109.084 13.082 25856 5984 1 16 . 1 1 38 38 GLY C C 38 175.253 175.253 176.145 -0.892 25856 5985 1 16 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.709 0.046 25856 5986 1 16 . 1 1 38 38 GLY H H 38 8.822 8.822 8.962 -0.140 25856 5987 1 16 . 1 1 39 39 LYS N N 39 120.070 120.070 121.681 -1.611 25856 5988 1 16 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.112 -0.055 25856 5989 1 16 . 1 1 39 39 LYS C C 39 177.734 177.734 178.539 -0.805 25856 5990 1 16 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.944 -0.908 25856 5991 1 16 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.428 0.560 25856 5992 1 16 . 1 1 39 39 LYS H H 39 8.135 8.135 7.447 0.688 25856 5993 1 16 . 1 1 40 40 ILE N N 40 117.925 117.925 119.883 -1.958 25856 5994 1 16 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.774 0.256 25856 5995 1 16 . 1 1 40 40 ILE C C 40 176.736 176.736 177.650 -0.914 25856 5996 1 16 . 1 1 40 40 ILE CA C 40 61.757 61.757 64.255 -2.498 25856 5997 1 16 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.076 -0.274 25856 5998 1 16 . 1 1 40 40 ILE H H 40 7.416 7.416 7.594 -0.178 25856 5999 1 16 . 1 1 41 41 ARG N N 41 122.141 122.141 119.801 2.340 25856 6000 1 16 . 1 1 41 41 ARG HA H 41 4.106 4.106 3.863 0.243 25856 6001 1 16 . 1 1 41 41 ARG C C 41 177.543 177.543 178.579 -1.036 25856 6002 1 16 . 1 1 41 41 ARG CA C 41 58.036 58.036 59.036 -1.000 25856 6003 1 16 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.095 0.015 25856 6004 1 16 . 1 1 41 41 ARG H H 41 7.912 7.912 7.959 -0.047 25856 6005 1 16 . 1 1 42 42 MET N N 42 118.223 118.223 117.756 0.467 25856 6006 1 16 . 1 1 42 42 MET HA H 42 4.281 4.281 4.222 0.059 25856 6007 1 16 . 1 1 42 42 MET C C 42 175.862 175.862 177.522 -1.660 25856 6008 1 16 . 1 1 42 42 MET CA C 42 56.299 56.299 57.109 -0.810 25856 6009 1 16 . 1 1 42 42 MET CB C 42 32.465 32.465 32.754 -0.289 25856 6010 1 16 . 1 1 42 42 MET H H 42 8.090 8.090 8.115 -0.025 25856 6011 1 16 . 1 1 43 43 ASN N N 43 117.020 117.020 114.707 2.313 25856 6012 1 16 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.796 -0.174 25856 6013 1 16 . 1 1 43 43 ASN C C 43 174.616 174.616 174.918 -0.302 25856 6014 1 16 . 1 1 43 43 ASN CA C 43 53.276 53.276 53.794 -0.518 25856 6015 1 16 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.403 -0.572 25856 6016 1 16 . 1 1 43 43 ASN H H 43 7.843 7.843 7.711 0.132 25856 6017 1 16 . 1 1 44 44 TYR N N 44 117.998 117.998 113.437 4.561 25856 6018 1 16 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.082 0.265 25856 6019 1 16 . 1 1 44 44 TYR C C 44 175.211 175.211 174.921 0.290 25856 6020 1 16 . 1 1 44 44 TYR CA C 44 58.652 58.652 59.428 -0.776 25856 6021 1 16 . 1 1 44 44 TYR CB C 44 37.603 37.603 35.413 2.190 25856 6022 1 16 . 1 1 44 44 TYR H H 44 7.712 7.712 7.157 0.555 25856 6023 1 16 . 1 1 45 45 ILE N N 45 120.711 120.711 114.861 5.850 25856 6024 1 16 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.128 -0.185 25856 6025 1 16 . 1 1 45 45 ILE C C 45 173.895 173.895 175.050 -1.155 25856 6026 1 16 . 1 1 45 45 ILE CA C 45 61.254 61.254 62.037 -0.783 25856 6027 1 16 . 1 1 45 45 ILE CB C 45 38.574 38.574 38.476 0.098 25856 6028 1 16 . 1 1 45 45 ILE H H 45 7.466 7.466 7.308 0.158 25856 6029 1 16 . 1 1 46 46 ARG N N 46 124.912 124.912 124.195 0.717 25856 6030 1 16 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.681 -0.297 25856 6031 1 16 . 1 1 46 46 ARG C C 46 174.759 174.759 174.826 -0.067 25856 6032 1 16 . 1 1 46 46 ARG CA C 46 55.534 55.534 54.709 0.825 25856 6033 1 16 . 1 1 46 46 ARG CB C 46 30.762 30.762 33.047 -2.285 25856 6034 1 16 . 1 1 46 46 ARG H H 46 8.077 8.077 8.249 -0.172 25856 6035 1 16 . 1 1 47 47 ILE N N 47 125.326 125.326 121.146 4.180 25856 6036 1 16 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.110 -0.086 25856 6037 1 16 . 1 1 47 47 ILE C C 47 173.922 173.922 175.959 -2.037 25856 6038 1 16 . 1 1 47 47 ILE CA C 47 60.862 60.862 58.521 2.341 25856 6039 1 16 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.606 0.120 25856 6040 1 16 . 1 1 47 47 ILE H H 47 7.966 7.966 8.409 -0.443 25856 6041 1 16 . 1 1 48 48 LEU N N 48 128.989 128.989 130.014 -1.025 25856 6042 1 16 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.873 -0.009 25856 6043 1 16 . 1 1 48 48 LEU C C 48 174.217 174.217 174.618 -0.401 25856 6044 1 16 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.481 0.234 25856 6045 1 16 . 1 1 48 48 LEU CB C 48 43.523 43.523 43.495 0.028 25856 6046 1 16 . 1 1 48 48 LEU H H 48 8.765 8.765 8.541 0.224 25856 6047 1 16 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.399 -0.541 25856 6048 1 16 . 1 1 49 49 PRO C C 49 176.960 176.960 177.064 -0.104 25856 6049 1 16 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.062 -0.121 25856 6050 1 16 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.528 -0.272 25856 6051 1 16 . 1 1 50 50 GLY N N 50 114.638 114.638 114.476 0.162 25856 6052 1 16 . 1 1 50 50 GLY C C 50 174.448 174.448 174.395 0.053 25856 6053 1 16 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.873 -0.167 25856 6054 1 16 . 1 1 50 50 GLY H H 50 9.317 9.317 9.269 0.048 25856 6055 1 16 . 1 1 51 51 ASP N N 51 121.882 121.882 123.332 -1.450 25856 6056 1 16 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.844 -0.311 25856 6057 1 16 . 1 1 51 51 ASP C C 51 175.327 175.327 175.207 0.120 25856 6058 1 16 . 1 1 51 51 ASP CA C 51 55.393 55.393 54.027 1.366 25856 6059 1 16 . 1 1 51 51 ASP CB C 51 41.197 41.197 41.654 -0.457 25856 6060 1 16 . 1 1 51 51 ASP H H 51 8.099 8.099 8.100 -0.001 25856 6061 1 16 . 1 1 52 52 LYS N N 52 121.338 121.338 120.410 0.928 25856 6062 1 16 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.587 -0.500 25856 6063 1 16 . 1 1 52 52 LYS C C 52 176.315 176.315 176.096 0.219 25856 6064 1 16 . 1 1 52 52 LYS CA C 52 54.652 54.652 53.779 0.873 25856 6065 1 16 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.026 -1.429 25856 6066 1 16 . 1 1 52 52 LYS H H 52 8.410 8.410 8.571 -0.161 25856 6067 1 16 . 1 1 53 53 VAL N N 53 114.761 114.761 118.354 -3.593 25856 6068 1 16 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.883 0.367 25856 6069 1 16 . 1 1 53 53 VAL C C 53 174.278 174.278 174.829 -0.551 25856 6070 1 16 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.400 -1.420 25856 6071 1 16 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.207 1.055 25856 6072 1 16 . 1 1 53 53 VAL H H 53 8.693 8.693 9.025 -0.332 25856 6073 1 16 . 1 1 54 54 THR N N 54 117.231 117.231 120.474 -3.243 25856 6074 1 16 . 1 1 54 54 THR HA H 54 4.837 4.837 4.951 -0.114 25856 6075 1 16 . 1 1 54 54 THR C C 54 173.923 173.923 173.470 0.453 25856 6076 1 16 . 1 1 54 54 THR CA C 54 62.448 62.448 62.579 -0.131 25856 6077 1 16 . 1 1 54 54 THR CB C 54 69.891 69.891 68.833 1.058 25856 6078 1 16 . 1 1 54 54 THR H H 54 8.296 8.296 8.843 -0.547 25856 6079 1 16 . 1 1 55 55 VAL N N 55 124.203 124.203 128.021 -3.818 25856 6080 1 16 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.770 0.062 25856 6081 1 16 . 1 1 55 55 VAL C C 55 174.106 174.106 173.604 0.502 25856 6082 1 16 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.438 0.113 25856 6083 1 16 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.257 0.319 25856 6084 1 16 . 1 1 55 55 VAL H H 55 9.331 9.331 9.278 0.053 25856 6085 1 16 . 1 1 56 56 GLU N N 56 123.984 123.984 129.817 -5.833 25856 6086 1 16 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.157 0.063 25856 6087 1 16 . 1 1 56 56 GLU C C 56 176.645 176.645 175.895 0.750 25856 6088 1 16 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.361 -0.959 25856 6089 1 16 . 1 1 56 56 GLU CB C 56 32.700 32.700 31.209 1.491 25856 6090 1 16 . 1 1 56 56 GLU H H 56 9.143 9.143 8.996 0.147 25856 6091 1 16 . 1 1 57 57 MET N N 57 123.465 123.465 123.254 0.211 25856 6092 1 16 . 1 1 57 57 MET HA H 57 4.795 4.795 4.998 -0.203 25856 6093 1 16 . 1 1 57 57 MET C C 57 174.899 174.899 175.406 -0.507 25856 6094 1 16 . 1 1 57 57 MET CA C 57 54.339 54.339 54.037 0.302 25856 6095 1 16 . 1 1 57 57 MET CB C 57 36.252 36.252 37.178 -0.927 25856 6096 1 16 . 1 1 57 57 MET H H 57 9.173 9.173 9.255 -0.082 25856 6097 1 16 . 1 1 58 58 SER N N 58 117.390 117.390 118.100 -0.710 25856 6098 1 16 . 1 1 58 58 SER HA H 58 5.039 5.039 4.669 0.370 25856 6099 1 16 . 1 1 58 58 SER C C 58 174.693 174.693 174.026 0.667 25856 6100 1 16 . 1 1 58 58 SER CA C 58 54.932 54.932 57.087 -2.155 25856 6101 1 16 . 1 1 58 58 SER CB C 58 64.587 64.587 62.706 1.881 25856 6102 1 16 . 1 1 58 58 SER H H 58 9.184 9.184 9.058 0.126 25856 6103 1 16 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.371 -0.265 25856 6104 1 16 . 1 1 59 59 PRO C C 59 176.290 176.290 176.794 -0.504 25856 6105 1 16 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.658 -0.805 25856 6106 1 16 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.951 -0.185 25856 6107 1 16 . 1 1 60 60 TYR N N 60 113.938 113.938 115.685 -1.747 25856 6108 1 16 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.699 -0.210 25856 6109 1 16 . 1 1 60 60 TYR C C 60 175.439 175.439 174.850 0.589 25856 6110 1 16 . 1 1 60 60 TYR CA C 60 57.342 57.342 57.324 0.018 25856 6111 1 16 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.155 -0.862 25856 6112 1 16 . 1 1 60 60 TYR H H 60 7.307 7.307 7.823 -0.516 25856 6113 1 16 . 1 1 61 61 ASP N N 61 118.283 118.283 119.042 -0.759 25856 6114 1 16 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.564 0.203 25856 6115 1 16 . 1 1 61 61 ASP C C 61 174.996 174.996 176.559 -1.563 25856 6116 1 16 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.419 -0.577 25856 6117 1 16 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.519 -2.097 25856 6118 1 16 . 1 1 61 61 ASP H H 61 7.418 7.418 7.993 -0.575 25856 6119 1 16 . 1 1 62 62 LEU N N 62 124.044 124.044 118.268 5.776 25856 6120 1 16 . 1 1 62 62 LEU HA H 62 4.487 4.487 4.004 0.483 25856 6121 1 16 . 1 1 62 62 LEU C C 62 177.109 177.109 177.054 0.055 25856 6122 1 16 . 1 1 62 62 LEU CA C 62 55.230 55.230 56.054 -0.824 25856 6123 1 16 . 1 1 62 62 LEU CB C 62 40.930 40.930 40.352 0.578 25856 6124 1 16 . 1 1 62 62 LEU H H 62 8.743 8.743 8.383 0.360 25856 6125 1 16 . 1 1 63 63 THR N N 63 107.624 107.624 112.600 -4.976 25856 6126 1 16 . 1 1 63 63 THR HA H 63 4.608 4.608 4.523 0.085 25856 6127 1 16 . 1 1 63 63 THR C C 63 174.873 174.873 173.579 1.294 25856 6128 1 16 . 1 1 63 63 THR CA C 63 62.686 62.686 62.804 -0.118 25856 6129 1 16 . 1 1 63 63 THR CB C 63 70.393 70.393 70.801 -0.408 25856 6130 1 16 . 1 1 63 63 THR H H 63 8.415 8.415 8.961 -0.546 25856 6131 1 16 . 1 1 64 64 ARG N N 64 120.138 120.138 122.786 -2.648 25856 6132 1 16 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.672 -0.053 25856 6133 1 16 . 1 1 64 64 ARG C C 64 174.858 174.858 175.370 -0.512 25856 6134 1 16 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.952 0.266 25856 6135 1 16 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.098 1.428 25856 6136 1 16 . 1 1 64 64 ARG H H 64 7.200 7.200 9.023 -1.823 25856 6137 1 16 . 1 1 65 65 GLY N N 65 106.034 106.034 108.683 -2.649 25856 6138 1 16 . 1 1 65 65 GLY C C 65 171.075 171.075 172.236 -1.161 25856 6139 1 16 . 1 1 65 65 GLY CA C 65 45.353 45.353 44.667 0.686 25856 6140 1 16 . 1 1 65 65 GLY H H 65 8.618 8.618 8.755 -0.137 25856 6141 1 16 . 1 1 66 66 ARG N N 66 118.635 118.635 120.652 -2.017 25856 6142 1 16 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.435 -0.449 25856 6143 1 16 . 1 1 66 66 ARG C C 66 175.345 175.345 174.561 0.784 25856 6144 1 16 . 1 1 66 66 ARG CA C 66 53.691 53.691 53.664 0.027 25856 6145 1 16 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.040 -0.629 25856 6146 1 16 . 1 1 66 66 ARG H H 66 8.621 8.621 8.848 -0.227 25856 6147 1 16 . 1 1 67 67 ILE N N 67 125.220 125.220 128.319 -3.099 25856 6148 1 16 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.993 -0.591 25856 6149 1 16 . 1 1 67 67 ILE C C 67 176.084 176.084 175.960 0.124 25856 6150 1 16 . 1 1 67 67 ILE CA C 67 62.299 62.299 61.230 1.069 25856 6151 1 16 . 1 1 67 67 ILE CB C 67 39.359 39.359 39.546 -0.187 25856 6152 1 16 . 1 1 67 67 ILE H H 67 9.083 9.083 9.131 -0.048 25856 6153 1 16 . 1 1 68 68 THR N N 68 117.584 117.584 119.499 -1.915 25856 6154 1 16 . 1 1 68 68 THR HA H 68 4.435 4.435 4.598 -0.163 25856 6155 1 16 . 1 1 68 68 THR C C 68 174.406 174.406 174.465 -0.059 25856 6156 1 16 . 1 1 68 68 THR CA C 68 61.164 61.164 61.860 -0.696 25856 6157 1 16 . 1 1 68 68 THR CB C 68 69.514 69.514 70.501 -0.987 25856 6158 1 16 . 1 1 68 68 THR H H 68 8.691 8.691 8.283 0.408 25856 6159 1 16 . 1 1 69 69 TYR N N 69 120.904 120.904 122.235 -1.331 25856 6160 1 16 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.629 -0.276 25856 6161 1 16 . 1 1 69 69 TYR C C 69 172.657 172.657 173.203 -0.546 25856 6162 1 16 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.669 1.065 25856 6163 1 16 . 1 1 69 69 TYR CB C 69 41.431 41.431 42.042 -0.611 25856 6164 1 16 . 1 1 69 69 TYR H H 69 7.479 7.479 7.480 -0.001 25856 6165 1 16 . 1 1 70 70 ARG N N 70 125.781 125.781 127.567 -1.786 25856 6166 1 16 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.657 0.034 25856 6167 1 16 . 1 1 70 70 ARG C C 70 174.016 174.016 173.528 0.488 25856 6168 1 16 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.379 0.282 25856 6169 1 16 . 1 1 70 70 ARG CB C 70 31.816 31.816 32.073 -0.257 25856 6170 1 16 . 1 1 70 70 ARG H H 70 7.439 7.439 7.859 -0.420 25856 6171 1 16 . 1 1 71 71 TYR N N 71 124.942 124.942 127.636 -2.694 25856 6172 1 16 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.503 -0.252 25856 6173 1 16 . 1 1 71 71 TYR C C 71 175.278 175.278 173.236 2.042 25856 6174 1 16 . 1 1 71 71 TYR CA C 71 58.445 58.445 57.150 1.295 25856 6175 1 16 . 1 1 71 71 TYR CB C 71 38.803 38.803 42.107 -3.304 25856 6176 1 16 . 1 1 71 71 TYR H H 71 8.478 8.478 8.970 -0.492 25856 6177 1 17 . 1 1 5 5 ASP N N 5 121.636 121.636 117.721 3.915 25856 6178 1 17 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.552 0.029 25856 6179 1 17 . 1 1 5 5 ASP C C 5 175.317 175.317 175.685 -0.368 25856 6180 1 17 . 1 1 5 5 ASP CA C 5 54.687 54.687 54.580 0.108 25856 6181 1 17 . 1 1 5 5 ASP CB C 5 41.260 41.260 40.642 0.618 25856 6182 1 17 . 1 1 5 5 ASP H H 5 8.370 8.370 8.486 -0.116 25856 6183 1 17 . 1 1 6 6 VAL N N 6 116.054 116.054 119.289 -3.235 25856 6184 1 17 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.225 0.330 25856 6185 1 17 . 1 1 6 6 VAL C C 6 174.969 174.969 174.768 0.201 25856 6186 1 17 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.798 0.151 25856 6187 1 17 . 1 1 6 6 VAL CB C 6 35.032 35.032 33.883 1.149 25856 6188 1 17 . 1 1 6 6 VAL H H 6 7.702 7.702 7.282 0.420 25856 6189 1 17 . 1 1 7 7 ILE N N 7 123.240 123.240 123.303 -0.063 25856 6190 1 17 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.324 0.058 25856 6191 1 17 . 1 1 7 7 ILE C C 7 174.177 174.177 174.690 -0.513 25856 6192 1 17 . 1 1 7 7 ILE CA C 7 60.100 60.100 60.785 -0.685 25856 6193 1 17 . 1 1 7 7 ILE CB C 7 40.712 40.712 38.587 2.124 25856 6194 1 17 . 1 1 7 7 ILE H H 7 8.748 8.748 8.310 0.438 25856 6195 1 17 . 1 1 8 8 GLU N N 8 124.266 124.266 128.136 -3.870 25856 6196 1 17 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.392 -0.042 25856 6197 1 17 . 1 1 8 8 GLU C C 8 175.592 175.592 175.547 0.045 25856 6198 1 17 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.384 -0.660 25856 6199 1 17 . 1 1 8 8 GLU CB C 8 33.510 33.510 31.402 2.108 25856 6200 1 17 . 1 1 8 8 GLU H H 8 8.236 8.236 8.699 -0.463 25856 6201 1 17 . 1 1 9 9 LEU N N 9 125.462 125.462 125.139 0.323 25856 6202 1 17 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.811 -0.034 25856 6203 1 17 . 1 1 9 9 LEU C C 9 174.654 174.654 175.962 -1.308 25856 6204 1 17 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.366 0.506 25856 6205 1 17 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.266 0.907 25856 6206 1 17 . 1 1 9 9 LEU H H 9 8.947 8.947 9.020 -0.073 25856 6207 1 17 . 1 1 10 10 GLU N N 10 119.884 119.884 118.527 1.357 25856 6208 1 17 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.345 -0.169 25856 6209 1 17 . 1 1 10 10 GLU C C 10 176.424 176.424 176.001 0.423 25856 6210 1 17 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.629 0.643 25856 6211 1 17 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.911 -1.096 25856 6212 1 17 . 1 1 10 10 GLU H H 10 8.697 8.697 8.557 0.140 25856 6213 1 17 . 1 1 11 11 GLY N N 11 107.302 107.302 106.624 0.678 25856 6214 1 17 . 1 1 11 11 GLY C C 11 171.493 171.493 172.154 -0.661 25856 6215 1 17 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.414 0.268 25856 6216 1 17 . 1 1 11 11 GLY H H 11 8.896 8.896 8.749 0.147 25856 6217 1 17 . 1 1 12 12 THR N N 12 115.723 115.723 117.456 -1.733 25856 6218 1 17 . 1 1 12 12 THR HA H 12 5.057 5.057 5.063 -0.006 25856 6219 1 17 . 1 1 12 12 THR C C 12 174.347 174.347 173.919 0.428 25856 6220 1 17 . 1 1 12 12 THR CA C 12 61.226 61.226 62.123 -0.897 25856 6221 1 17 . 1 1 12 12 THR CB C 12 71.245 71.245 70.574 0.671 25856 6222 1 17 . 1 1 12 12 THR H H 12 8.551 8.551 8.948 -0.397 25856 6223 1 17 . 1 1 13 13 VAL N N 13 127.141 127.141 127.455 -0.314 25856 6224 1 17 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.448 -0.648 25856 6225 1 17 . 1 1 13 13 VAL C C 13 175.760 175.760 174.870 0.890 25856 6226 1 17 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.036 3.482 25856 6227 1 17 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.006 -1.451 25856 6228 1 17 . 1 1 13 13 VAL H H 13 9.135 9.135 8.943 0.192 25856 6229 1 17 . 1 1 14 14 LEU N N 14 129.942 129.942 126.282 3.660 25856 6230 1 17 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.800 -0.250 25856 6231 1 17 . 1 1 14 14 LEU C C 14 176.277 176.277 176.557 -0.280 25856 6232 1 17 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.006 0.669 25856 6233 1 17 . 1 1 14 14 LEU CB C 14 44.004 44.004 43.009 0.995 25856 6234 1 17 . 1 1 14 14 LEU H H 14 9.536 9.536 8.601 0.935 25856 6235 1 17 . 1 1 15 15 ASP N N 15 113.621 113.621 119.952 -6.331 25856 6236 1 17 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.929 0.049 25856 6237 1 17 . 1 1 15 15 ASP C C 15 174.864 174.864 174.218 0.646 25856 6238 1 17 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.006 0.311 25856 6239 1 17 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.239 0.531 25856 6240 1 17 . 1 1 15 15 ASP H H 15 7.609 7.609 7.786 -0.177 25856 6241 1 17 . 1 1 16 16 THR N N 16 115.901 115.901 112.956 2.945 25856 6242 1 17 . 1 1 16 16 THR HA H 16 4.298 4.298 4.242 0.056 25856 6243 1 17 . 1 1 16 16 THR C C 16 172.704 172.704 173.870 -1.166 25856 6244 1 17 . 1 1 16 16 THR CA C 16 60.251 60.251 60.720 -0.469 25856 6245 1 17 . 1 1 16 16 THR CB C 16 69.494 69.494 69.536 -0.042 25856 6246 1 17 . 1 1 16 16 THR H H 16 8.841 8.841 8.198 0.643 25856 6247 1 17 . 1 1 17 17 LEU N N 17 125.747 125.747 125.649 0.098 25856 6248 1 17 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.778 -0.095 25856 6249 1 17 . 1 1 17 17 LEU C C 17 174.509 174.509 174.770 -0.261 25856 6250 1 17 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.318 1.476 25856 6251 1 17 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.674 -0.093 25856 6252 1 17 . 1 1 17 17 LEU H H 17 7.913 7.913 8.095 -0.182 25856 6253 1 17 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.210 0.114 25856 6254 1 17 . 1 1 18 18 PRO C C 18 175.973 175.973 176.801 -0.828 25856 6255 1 17 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.505 -0.356 25856 6256 1 17 . 1 1 18 18 PRO CB C 18 32.228 32.228 31.975 0.253 25856 6257 1 17 . 1 1 19 19 ASN N N 19 115.147 115.147 118.848 -3.701 25856 6258 1 17 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.301 -0.070 25856 6259 1 17 . 1 1 19 19 ASN C C 19 174.180 174.180 174.849 -0.669 25856 6260 1 17 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.607 0.492 25856 6261 1 17 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.869 -0.959 25856 6262 1 17 . 1 1 19 19 ASN H H 19 8.598 8.598 8.795 -0.197 25856 6263 1 17 . 1 1 20 20 ALA N N 20 116.191 116.191 114.645 1.546 25856 6264 1 17 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.643 0.158 25856 6265 1 17 . 1 1 20 20 ALA C C 20 174.990 174.990 175.417 -0.427 25856 6266 1 17 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.051 -0.095 25856 6267 1 17 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.582 -1.039 25856 6268 1 17 . 1 1 20 20 ALA H H 20 8.335 8.335 7.983 0.352 25856 6269 1 17 . 1 1 21 21 MET N N 21 113.560 113.560 116.865 -3.305 25856 6270 1 17 . 1 1 21 21 MET HA H 21 5.124 5.124 5.021 0.103 25856 6271 1 17 . 1 1 21 21 MET C C 21 175.205 175.205 175.294 -0.089 25856 6272 1 17 . 1 1 21 21 MET CA C 21 54.597 54.597 54.336 0.261 25856 6273 1 17 . 1 1 21 21 MET CB C 21 35.150 35.150 34.214 0.936 25856 6274 1 17 . 1 1 21 21 MET H H 21 6.302 6.302 7.139 -0.837 25856 6275 1 17 . 1 1 22 22 PHE N N 22 117.199 117.199 119.752 -2.553 25856 6276 1 17 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.841 0.077 25856 6277 1 17 . 1 1 22 22 PHE C C 22 174.697 174.697 174.138 0.559 25856 6278 1 17 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.049 0.083 25856 6279 1 17 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.563 -0.429 25856 6280 1 17 . 1 1 22 22 PHE H H 22 9.007 9.007 9.429 -0.422 25856 6281 1 17 . 1 1 23 23 LYS N N 23 122.934 122.934 124.990 -2.056 25856 6282 1 17 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.847 0.270 25856 6283 1 17 . 1 1 23 23 LYS C C 23 175.853 175.853 174.792 1.061 25856 6284 1 17 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.862 -0.266 25856 6285 1 17 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.163 0.859 25856 6286 1 17 . 1 1 23 23 LYS H H 23 8.340 8.340 8.932 -0.593 25856 6287 1 17 . 1 1 24 24 VAL N N 24 128.487 128.487 125.884 2.603 25856 6288 1 17 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.558 0.083 25856 6289 1 17 . 1 1 24 24 VAL C C 24 173.199 173.199 174.149 -0.950 25856 6290 1 17 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.215 0.490 25856 6291 1 17 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.782 0.827 25856 6292 1 17 . 1 1 24 24 VAL H H 24 9.123 9.123 8.956 0.167 25856 6293 1 17 . 1 1 25 25 GLU N N 25 127.440 127.440 125.138 2.302 25856 6294 1 17 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.110 -0.397 25856 6295 1 17 . 1 1 25 25 GLU C C 25 176.358 176.358 175.948 0.410 25856 6296 1 17 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.243 0.664 25856 6297 1 17 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.223 -0.584 25856 6298 1 17 . 1 1 25 25 GLU H H 25 9.017 9.017 9.048 -0.031 25856 6299 1 17 . 1 1 26 26 LEU N N 26 128.629 128.629 128.236 0.393 25856 6300 1 17 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.356 0.448 25856 6301 1 17 . 1 1 26 26 LEU C C 26 179.339 179.339 178.761 0.578 25856 6302 1 17 . 1 1 26 26 LEU CA C 26 54.822 54.822 56.042 -1.220 25856 6303 1 17 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.450 1.118 25856 6304 1 17 . 1 1 26 26 LEU H H 26 9.101 9.101 9.308 -0.207 25856 6305 1 17 . 1 1 27 27 GLU N N 27 119.613 119.613 121.354 -1.741 25856 6306 1 17 . 1 1 27 27 GLU HA H 27 4.162 4.162 3.993 0.169 25856 6307 1 17 . 1 1 27 27 GLU C C 27 175.724 175.724 177.726 -2.002 25856 6308 1 17 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.124 -0.735 25856 6309 1 17 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.003 0.678 25856 6310 1 17 . 1 1 27 27 GLU H H 27 8.794 8.794 8.402 0.392 25856 6311 1 17 . 1 1 28 28 ASN N N 28 114.625 114.625 116.054 -1.429 25856 6312 1 17 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.720 -0.109 25856 6313 1 17 . 1 1 28 28 ASN C C 28 176.299 176.299 176.276 0.023 25856 6314 1 17 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.183 -0.702 25856 6315 1 17 . 1 1 28 28 ASN CB C 28 37.706 37.706 39.278 -1.572 25856 6316 1 17 . 1 1 28 28 ASN H H 28 7.183 7.183 7.864 -0.681 25856 6317 1 17 . 1 1 29 29 GLY N N 29 107.903 107.903 108.015 -0.112 25856 6318 1 17 . 1 1 29 29 GLY C C 29 174.243 174.243 173.457 0.786 25856 6319 1 17 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.397 -0.090 25856 6320 1 17 . 1 1 29 29 GLY H H 29 6.899 6.899 8.197 -1.298 25856 6321 1 17 . 1 1 30 30 HIS N N 30 118.953 118.953 120.172 -1.219 25856 6322 1 17 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.787 -0.123 25856 6323 1 17 . 1 1 30 30 HIS C C 30 173.476 173.476 173.537 -0.061 25856 6324 1 17 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.520 0.427 25856 6325 1 17 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.762 -1.601 25856 6326 1 17 . 1 1 30 30 HIS H H 30 7.739 7.739 7.999 -0.260 25856 6327 1 17 . 1 1 31 31 GLU N N 31 123.512 123.512 124.704 -1.192 25856 6328 1 17 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.175 0.066 25856 6329 1 17 . 1 1 31 31 GLU C C 31 176.181 176.181 175.537 0.644 25856 6330 1 17 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.051 0.037 25856 6331 1 17 . 1 1 31 31 GLU CB C 31 31.883 31.883 31.320 0.562 25856 6332 1 17 . 1 1 31 31 GLU H H 31 8.495 8.495 8.408 0.087 25856 6333 1 17 . 1 1 32 32 ILE N N 32 117.654 117.654 114.834 2.820 25856 6334 1 17 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.850 -0.136 25856 6335 1 17 . 1 1 32 32 ILE C C 32 174.438 174.438 173.886 0.552 25856 6336 1 17 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.295 -0.105 25856 6337 1 17 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.908 1.326 25856 6338 1 17 . 1 1 32 32 ILE H H 32 9.005 9.005 8.987 0.018 25856 6339 1 17 . 1 1 33 33 LEU N N 33 122.166 122.166 123.313 -1.147 25856 6340 1 17 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.168 0.049 25856 6341 1 17 . 1 1 33 33 LEU C C 33 176.190 176.190 175.879 0.311 25856 6342 1 17 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.615 0.228 25856 6343 1 17 . 1 1 33 33 LEU CB C 33 43.758 43.758 42.979 0.779 25856 6344 1 17 . 1 1 33 33 LEU H H 33 7.713 7.713 8.208 -0.495 25856 6345 1 17 . 1 1 34 34 ALA N N 34 125.096 125.096 125.221 -0.125 25856 6346 1 17 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.439 0.053 25856 6347 1 17 . 1 1 34 34 ALA C C 34 175.700 175.700 175.291 0.409 25856 6348 1 17 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.051 0.206 25856 6349 1 17 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.150 0.001 25856 6350 1 17 . 1 1 34 34 ALA H H 34 9.442 9.442 9.054 0.388 25856 6351 1 17 . 1 1 35 35 HIS N N 35 117.670 117.670 119.756 -2.086 25856 6352 1 17 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.626 -0.118 25856 6353 1 17 . 1 1 35 35 HIS C C 35 174.787 174.787 174.935 -0.148 25856 6354 1 17 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.838 -0.409 25856 6355 1 17 . 1 1 35 35 HIS CB C 35 33.178 33.178 34.073 -0.895 25856 6356 1 17 . 1 1 35 35 HIS H H 35 7.751 7.751 8.455 -0.704 25856 6357 1 17 . 1 1 36 36 VAL N N 36 119.236 119.236 119.857 -0.621 25856 6358 1 17 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.298 0.104 25856 6359 1 17 . 1 1 36 36 VAL C C 36 175.551 175.551 175.669 -0.118 25856 6360 1 17 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.281 1.052 25856 6361 1 17 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.891 0.498 25856 6362 1 17 . 1 1 36 36 VAL H H 36 9.217 9.217 7.745 1.472 25856 6363 1 17 . 1 1 37 37 SER N N 37 119.884 119.884 118.436 1.448 25856 6364 1 17 . 1 1 37 37 SER HA H 37 4.425 4.425 4.468 -0.043 25856 6365 1 17 . 1 1 37 37 SER C C 37 175.003 175.003 176.065 -1.062 25856 6366 1 17 . 1 1 37 37 SER CA C 37 57.971 57.971 58.287 -0.316 25856 6367 1 17 . 1 1 37 37 SER CB C 37 64.761 64.761 64.531 0.230 25856 6368 1 17 . 1 1 37 37 SER H H 37 8.375 8.375 8.130 0.245 25856 6369 1 17 . 1 1 38 38 GLY N N 38 122.166 122.166 108.878 13.288 25856 6370 1 17 . 1 1 38 38 GLY C C 38 175.253 175.253 175.961 -0.708 25856 6371 1 17 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.764 -0.009 25856 6372 1 17 . 1 1 38 38 GLY H H 38 8.822 8.822 8.968 -0.146 25856 6373 1 17 . 1 1 39 39 LYS N N 39 120.070 120.070 121.957 -1.887 25856 6374 1 17 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.195 -0.138 25856 6375 1 17 . 1 1 39 39 LYS C C 39 177.734 177.734 178.354 -0.620 25856 6376 1 17 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.663 -0.626 25856 6377 1 17 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.555 0.433 25856 6378 1 17 . 1 1 39 39 LYS H H 39 8.135 8.135 7.426 0.709 25856 6379 1 17 . 1 1 40 40 ILE N N 40 117.925 117.925 118.907 -0.982 25856 6380 1 17 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.713 0.317 25856 6381 1 17 . 1 1 40 40 ILE C C 40 176.736 176.736 176.898 -0.162 25856 6382 1 17 . 1 1 40 40 ILE CA C 40 61.757 61.757 64.094 -2.337 25856 6383 1 17 . 1 1 40 40 ILE CB C 40 37.802 37.802 37.834 -0.032 25856 6384 1 17 . 1 1 40 40 ILE H H 40 7.416 7.416 7.407 0.009 25856 6385 1 17 . 1 1 41 41 ARG N N 41 122.141 122.141 118.777 3.364 25856 6386 1 17 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.016 0.090 25856 6387 1 17 . 1 1 41 41 ARG C C 41 177.543 177.543 178.971 -1.428 25856 6388 1 17 . 1 1 41 41 ARG CA C 41 58.036 58.036 59.374 -1.338 25856 6389 1 17 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.851 -0.741 25856 6390 1 17 . 1 1 41 41 ARG H H 41 7.912 7.912 7.698 0.214 25856 6391 1 17 . 1 1 42 42 MET N N 42 118.223 118.223 116.366 1.857 25856 6392 1 17 . 1 1 42 42 MET HA H 42 4.281 4.281 4.336 -0.055 25856 6393 1 17 . 1 1 42 42 MET C C 42 175.862 175.862 177.705 -1.843 25856 6394 1 17 . 1 1 42 42 MET CA C 42 56.299 56.299 56.701 -0.402 25856 6395 1 17 . 1 1 42 42 MET CB C 42 32.465 32.465 32.317 0.148 25856 6396 1 17 . 1 1 42 42 MET H H 42 8.090 8.090 8.006 0.084 25856 6397 1 17 . 1 1 43 43 ASN N N 43 117.020 117.020 116.500 0.520 25856 6398 1 17 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.895 -0.273 25856 6399 1 17 . 1 1 43 43 ASN C C 43 174.616 174.616 176.070 -1.454 25856 6400 1 17 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.478 0.798 25856 6401 1 17 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.035 -1.204 25856 6402 1 17 . 1 1 43 43 ASN H H 43 7.843 7.843 7.981 -0.138 25856 6403 1 17 . 1 1 44 44 TYR N N 44 117.998 117.998 116.842 1.156 25856 6404 1 17 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.617 -0.270 25856 6405 1 17 . 1 1 44 44 TYR C C 44 175.211 175.211 175.958 -0.747 25856 6406 1 17 . 1 1 44 44 TYR CA C 44 58.652 58.652 57.983 0.669 25856 6407 1 17 . 1 1 44 44 TYR CB C 44 37.603 37.603 37.650 -0.047 25856 6408 1 17 . 1 1 44 44 TYR H H 44 7.712 7.712 8.579 -0.867 25856 6409 1 17 . 1 1 45 45 ILE N N 45 120.711 120.711 117.096 3.615 25856 6410 1 17 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.016 -0.072 25856 6411 1 17 . 1 1 45 45 ILE C C 45 173.895 173.895 175.488 -1.593 25856 6412 1 17 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.349 0.905 25856 6413 1 17 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.532 3.042 25856 6414 1 17 . 1 1 45 45 ILE H H 45 7.466 7.466 7.363 0.103 25856 6415 1 17 . 1 1 46 46 ARG N N 46 124.912 124.912 122.115 2.797 25856 6416 1 17 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.352 0.032 25856 6417 1 17 . 1 1 46 46 ARG C C 46 174.759 174.759 175.921 -1.162 25856 6418 1 17 . 1 1 46 46 ARG CA C 46 55.534 55.534 54.828 0.706 25856 6419 1 17 . 1 1 46 46 ARG CB C 46 30.762 30.762 31.601 -0.839 25856 6420 1 17 . 1 1 46 46 ARG H H 46 8.077 8.077 7.738 0.339 25856 6421 1 17 . 1 1 47 47 ILE N N 47 125.326 125.326 122.758 2.568 25856 6422 1 17 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.000 0.024 25856 6423 1 17 . 1 1 47 47 ILE C C 47 173.922 173.922 175.247 -1.325 25856 6424 1 17 . 1 1 47 47 ILE CA C 47 60.862 60.862 60.989 -0.127 25856 6425 1 17 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.944 -0.218 25856 6426 1 17 . 1 1 47 47 ILE H H 47 7.966 7.966 8.338 -0.372 25856 6427 1 17 . 1 1 48 48 LEU N N 48 128.989 128.989 128.989 0.000 25856 6428 1 17 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.948 -0.084 25856 6429 1 17 . 1 1 48 48 LEU C C 48 174.217 174.217 174.644 -0.427 25856 6430 1 17 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.414 0.301 25856 6431 1 17 . 1 1 48 48 LEU CB C 48 43.523 43.523 43.834 -0.311 25856 6432 1 17 . 1 1 48 48 LEU H H 48 8.765 8.765 8.176 0.589 25856 6433 1 17 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.284 -0.426 25856 6434 1 17 . 1 1 49 49 PRO C C 49 176.960 176.960 177.637 -0.677 25856 6435 1 17 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.041 -0.100 25856 6436 1 17 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.624 -0.368 25856 6437 1 17 . 1 1 50 50 GLY N N 50 114.638 114.638 114.745 -0.107 25856 6438 1 17 . 1 1 50 50 GLY C C 50 174.448 174.448 174.501 -0.053 25856 6439 1 17 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.757 -0.050 25856 6440 1 17 . 1 1 50 50 GLY H H 50 9.317 9.317 9.209 0.108 25856 6441 1 17 . 1 1 51 51 ASP N N 51 121.882 121.882 122.222 -0.340 25856 6442 1 17 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.886 -0.353 25856 6443 1 17 . 1 1 51 51 ASP C C 51 175.327 175.327 174.335 0.992 25856 6444 1 17 . 1 1 51 51 ASP CA C 51 55.393 55.393 53.643 1.750 25856 6445 1 17 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.973 -1.776 25856 6446 1 17 . 1 1 51 51 ASP H H 51 8.099 8.099 7.939 0.160 25856 6447 1 17 . 1 1 52 52 LYS N N 52 121.338 121.338 121.719 -0.381 25856 6448 1 17 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.094 -0.007 25856 6449 1 17 . 1 1 52 52 LYS C C 52 176.315 176.315 175.388 0.927 25856 6450 1 17 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.054 -0.402 25856 6451 1 17 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.326 -1.729 25856 6452 1 17 . 1 1 52 52 LYS H H 52 8.410 8.410 8.513 -0.103 25856 6453 1 17 . 1 1 53 53 VAL N N 53 114.761 114.761 121.060 -6.299 25856 6454 1 17 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.728 0.522 25856 6455 1 17 . 1 1 53 53 VAL C C 53 174.278 174.278 174.076 0.202 25856 6456 1 17 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.252 -1.272 25856 6457 1 17 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.317 0.945 25856 6458 1 17 . 1 1 53 53 VAL H H 53 8.693 8.693 9.224 -0.531 25856 6459 1 17 . 1 1 54 54 THR N N 54 117.231 117.231 118.470 -1.239 25856 6460 1 17 . 1 1 54 54 THR HA H 54 4.837 4.837 4.878 -0.041 25856 6461 1 17 . 1 1 54 54 THR C C 54 173.923 173.923 173.256 0.667 25856 6462 1 17 . 1 1 54 54 THR CA C 54 62.448 62.448 62.724 -0.276 25856 6463 1 17 . 1 1 54 54 THR CB C 54 69.891 69.891 69.781 0.110 25856 6464 1 17 . 1 1 54 54 THR H H 54 8.296 8.296 8.785 -0.489 25856 6465 1 17 . 1 1 55 55 VAL N N 55 124.203 124.203 126.654 -2.451 25856 6466 1 17 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.867 -0.035 25856 6467 1 17 . 1 1 55 55 VAL C C 55 174.106 174.106 173.474 0.632 25856 6468 1 17 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.469 0.082 25856 6469 1 17 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.749 -1.173 25856 6470 1 17 . 1 1 55 55 VAL H H 55 9.331 9.331 9.288 0.043 25856 6471 1 17 . 1 1 56 56 GLU N N 56 123.984 123.984 127.920 -3.936 25856 6472 1 17 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.094 0.126 25856 6473 1 17 . 1 1 56 56 GLU C C 56 176.645 176.645 175.371 1.274 25856 6474 1 17 . 1 1 56 56 GLU CA C 56 54.402 54.402 54.605 -0.203 25856 6475 1 17 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.936 1.764 25856 6476 1 17 . 1 1 56 56 GLU H H 56 9.143 9.143 9.248 -0.105 25856 6477 1 17 . 1 1 57 57 MET N N 57 123.465 123.465 121.513 1.952 25856 6478 1 17 . 1 1 57 57 MET HA H 57 4.795 4.795 5.022 -0.227 25856 6479 1 17 . 1 1 57 57 MET C C 57 174.899 174.899 175.028 -0.129 25856 6480 1 17 . 1 1 57 57 MET CA C 57 54.339 54.339 54.149 0.190 25856 6481 1 17 . 1 1 57 57 MET CB C 57 36.252 36.252 37.066 -0.813 25856 6482 1 17 . 1 1 57 57 MET H H 57 9.173 9.173 9.073 0.100 25856 6483 1 17 . 1 1 58 58 SER N N 58 117.390 117.390 115.764 1.626 25856 6484 1 17 . 1 1 58 58 SER HA H 58 5.039 5.039 4.819 0.220 25856 6485 1 17 . 1 1 58 58 SER C C 58 174.693 174.693 174.235 0.458 25856 6486 1 17 . 1 1 58 58 SER CA C 58 54.932 54.932 55.983 -1.051 25856 6487 1 17 . 1 1 58 58 SER CB C 58 64.587 64.587 62.675 1.912 25856 6488 1 17 . 1 1 58 58 SER H H 58 9.184 9.184 8.868 0.316 25856 6489 1 17 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.306 -0.200 25856 6490 1 17 . 1 1 59 59 PRO C C 59 176.290 176.290 176.909 -0.619 25856 6491 1 17 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.697 -0.844 25856 6492 1 17 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.870 -0.104 25856 6493 1 17 . 1 1 60 60 TYR N N 60 113.938 113.938 117.515 -3.577 25856 6494 1 17 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.469 0.020 25856 6495 1 17 . 1 1 60 60 TYR C C 60 175.439 175.439 175.824 -0.385 25856 6496 1 17 . 1 1 60 60 TYR CA C 60 57.342 57.342 59.477 -2.135 25856 6497 1 17 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.265 -0.972 25856 6498 1 17 . 1 1 60 60 TYR H H 60 7.307 7.307 8.308 -1.001 25856 6499 1 17 . 1 1 61 61 ASP N N 61 118.283 118.283 118.654 -0.371 25856 6500 1 17 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.542 0.225 25856 6501 1 17 . 1 1 61 61 ASP C C 61 174.996 174.996 175.989 -0.993 25856 6502 1 17 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.691 -0.848 25856 6503 1 17 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.362 -0.940 25856 6504 1 17 . 1 1 61 61 ASP H H 61 7.418 7.418 7.737 -0.319 25856 6505 1 17 . 1 1 62 62 LEU N N 62 124.044 124.044 117.867 6.177 25856 6506 1 17 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.977 0.510 25856 6507 1 17 . 1 1 62 62 LEU C C 62 177.109 177.109 175.984 1.125 25856 6508 1 17 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.982 -0.752 25856 6509 1 17 . 1 1 62 62 LEU CB C 62 40.930 40.930 41.627 -0.696 25856 6510 1 17 . 1 1 62 62 LEU H H 62 8.743 8.743 8.295 0.448 25856 6511 1 17 . 1 1 63 63 THR N N 63 107.624 107.624 110.121 -2.497 25856 6512 1 17 . 1 1 63 63 THR HA H 63 4.608 4.608 4.330 0.278 25856 6513 1 17 . 1 1 63 63 THR C C 63 174.873 174.873 173.002 1.871 25856 6514 1 17 . 1 1 63 63 THR CA C 63 62.686 62.686 61.570 1.116 25856 6515 1 17 . 1 1 63 63 THR CB C 63 70.393 70.393 69.246 1.147 25856 6516 1 17 . 1 1 63 63 THR H H 63 8.415 8.415 8.097 0.318 25856 6517 1 17 . 1 1 64 64 ARG N N 64 120.138 120.138 120.816 -0.678 25856 6518 1 17 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.607 0.012 25856 6519 1 17 . 1 1 64 64 ARG C C 64 174.858 174.858 174.310 0.548 25856 6520 1 17 . 1 1 64 64 ARG CA C 64 54.218 54.218 54.147 0.071 25856 6521 1 17 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.436 1.090 25856 6522 1 17 . 1 1 64 64 ARG H H 64 7.200 7.200 7.677 -0.477 25856 6523 1 17 . 1 1 65 65 GLY N N 65 106.034 106.034 110.907 -4.873 25856 6524 1 17 . 1 1 65 65 GLY C C 65 171.075 171.075 171.767 -0.692 25856 6525 1 17 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.678 -0.325 25856 6526 1 17 . 1 1 65 65 GLY H H 65 8.618 8.618 7.959 0.659 25856 6527 1 17 . 1 1 66 66 ARG N N 66 118.635 118.635 119.271 -0.636 25856 6528 1 17 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.484 -0.498 25856 6529 1 17 . 1 1 66 66 ARG C C 66 175.345 175.345 174.762 0.583 25856 6530 1 17 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.506 -0.815 25856 6531 1 17 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.784 -1.373 25856 6532 1 17 . 1 1 66 66 ARG H H 66 8.621 8.621 8.905 -0.284 25856 6533 1 17 . 1 1 67 67 ILE N N 67 125.220 125.220 127.659 -2.439 25856 6534 1 17 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.510 -0.108 25856 6535 1 17 . 1 1 67 67 ILE C C 67 176.084 176.084 176.641 -0.557 25856 6536 1 17 . 1 1 67 67 ILE CA C 67 62.299 62.299 61.886 0.413 25856 6537 1 17 . 1 1 67 67 ILE CB C 67 39.359 39.359 37.700 1.659 25856 6538 1 17 . 1 1 67 67 ILE H H 67 9.083 9.083 8.941 0.142 25856 6539 1 17 . 1 1 68 68 THR N N 68 117.584 117.584 120.986 -3.402 25856 6540 1 17 . 1 1 68 68 THR HA H 68 4.435 4.435 4.435 0.000 25856 6541 1 17 . 1 1 68 68 THR C C 68 174.406 174.406 174.560 -0.154 25856 6542 1 17 . 1 1 68 68 THR CA C 68 61.164 61.164 62.260 -1.096 25856 6543 1 17 . 1 1 68 68 THR CB C 68 69.514 69.514 70.590 -1.076 25856 6544 1 17 . 1 1 68 68 THR H H 68 8.691 8.691 8.565 0.126 25856 6545 1 17 . 1 1 69 69 TYR N N 69 120.904 120.904 121.206 -0.302 25856 6546 1 17 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.709 -0.356 25856 6547 1 17 . 1 1 69 69 TYR C C 69 172.657 172.657 173.018 -0.361 25856 6548 1 17 . 1 1 69 69 TYR CA C 69 58.734 58.734 58.175 0.559 25856 6549 1 17 . 1 1 69 69 TYR CB C 69 41.431 41.431 42.128 -0.697 25856 6550 1 17 . 1 1 69 69 TYR H H 69 7.479 7.479 7.494 -0.015 25856 6551 1 17 . 1 1 70 70 ARG N N 70 125.781 125.781 125.940 -0.159 25856 6552 1 17 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.342 0.349 25856 6553 1 17 . 1 1 70 70 ARG C C 70 174.016 174.016 173.696 0.320 25856 6554 1 17 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.425 0.236 25856 6555 1 17 . 1 1 70 70 ARG CB C 70 31.816 31.816 30.037 1.780 25856 6556 1 17 . 1 1 70 70 ARG H H 70 7.439 7.439 8.132 -0.693 25856 6557 1 17 . 1 1 71 71 TYR N N 71 124.942 124.942 125.754 -0.812 25856 6558 1 17 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.221 0.030 25856 6559 1 17 . 1 1 71 71 TYR C C 71 175.278 175.278 174.482 0.796 25856 6560 1 17 . 1 1 71 71 TYR CA C 71 58.445 58.445 59.087 -0.642 25856 6561 1 17 . 1 1 71 71 TYR CB C 71 38.803 38.803 40.316 -1.513 25856 6562 1 17 . 1 1 71 71 TYR H H 71 8.478 8.478 8.392 0.086 25856 6563 1 18 . 1 1 5 5 ASP N N 5 121.636 121.636 119.364 2.272 25856 6564 1 18 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.616 -0.035 25856 6565 1 18 . 1 1 5 5 ASP C C 5 175.317 175.317 175.493 -0.176 25856 6566 1 18 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.222 -0.535 25856 6567 1 18 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.667 -0.407 25856 6568 1 18 . 1 1 5 5 ASP H H 5 8.370 8.370 8.877 -0.507 25856 6569 1 18 . 1 1 6 6 VAL N N 6 116.054 116.054 117.949 -1.895 25856 6570 1 18 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.277 0.278 25856 6571 1 18 . 1 1 6 6 VAL C C 6 174.969 174.969 174.987 -0.018 25856 6572 1 18 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.534 0.415 25856 6573 1 18 . 1 1 6 6 VAL CB C 6 35.032 35.032 33.704 1.328 25856 6574 1 18 . 1 1 6 6 VAL H H 6 7.702 7.702 7.605 0.097 25856 6575 1 18 . 1 1 7 7 ILE N N 7 123.240 123.240 125.120 -1.880 25856 6576 1 18 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.367 0.015 25856 6577 1 18 . 1 1 7 7 ILE C C 7 174.177 174.177 174.708 -0.531 25856 6578 1 18 . 1 1 7 7 ILE CA C 7 60.100 60.100 58.924 1.176 25856 6579 1 18 . 1 1 7 7 ILE CB C 7 40.712 40.712 38.354 2.358 25856 6580 1 18 . 1 1 7 7 ILE H H 7 8.748 8.748 9.110 -0.362 25856 6581 1 18 . 1 1 8 8 GLU N N 8 124.266 124.266 127.483 -3.217 25856 6582 1 18 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.196 0.154 25856 6583 1 18 . 1 1 8 8 GLU C C 8 175.592 175.592 175.232 0.360 25856 6584 1 18 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.090 -0.366 25856 6585 1 18 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.627 2.883 25856 6586 1 18 . 1 1 8 8 GLU H H 8 8.236 8.236 8.688 -0.452 25856 6587 1 18 . 1 1 9 9 LEU N N 9 125.462 125.462 125.018 0.444 25856 6588 1 18 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.838 -0.061 25856 6589 1 18 . 1 1 9 9 LEU C C 9 174.654 174.654 175.576 -0.922 25856 6590 1 18 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.545 0.327 25856 6591 1 18 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.578 0.595 25856 6592 1 18 . 1 1 9 9 LEU H H 9 8.947 8.947 9.247 -0.300 25856 6593 1 18 . 1 1 10 10 GLU N N 10 119.884 119.884 119.737 0.147 25856 6594 1 18 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.703 -0.527 25856 6595 1 18 . 1 1 10 10 GLU C C 10 176.424 176.424 176.063 0.361 25856 6596 1 18 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.255 1.017 25856 6597 1 18 . 1 1 10 10 GLU CB C 10 31.815 31.815 33.605 -1.790 25856 6598 1 18 . 1 1 10 10 GLU H H 10 8.697 8.697 8.625 0.072 25856 6599 1 18 . 1 1 11 11 GLY N N 11 107.302 107.302 109.006 -1.704 25856 6600 1 18 . 1 1 11 11 GLY C C 11 171.493 171.493 172.374 -0.881 25856 6601 1 18 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.532 0.150 25856 6602 1 18 . 1 1 11 11 GLY H H 11 8.896 8.896 8.089 0.807 25856 6603 1 18 . 1 1 12 12 THR N N 12 115.723 115.723 116.731 -1.008 25856 6604 1 18 . 1 1 12 12 THR HA H 12 5.057 5.057 5.013 0.044 25856 6605 1 18 . 1 1 12 12 THR C C 12 174.347 174.347 173.317 1.030 25856 6606 1 18 . 1 1 12 12 THR CA C 12 61.226 61.226 61.589 -0.363 25856 6607 1 18 . 1 1 12 12 THR CB C 12 71.245 71.245 70.935 0.310 25856 6608 1 18 . 1 1 12 12 THR H H 12 8.551 8.551 8.646 -0.095 25856 6609 1 18 . 1 1 13 13 VAL N N 13 127.141 127.141 127.141 0.000 25856 6610 1 18 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.242 -0.442 25856 6611 1 18 . 1 1 13 13 VAL C C 13 175.760 175.760 174.889 0.871 25856 6612 1 18 . 1 1 13 13 VAL CA C 13 64.518 64.518 60.970 3.548 25856 6613 1 18 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.918 -1.363 25856 6614 1 18 . 1 1 13 13 VAL H H 13 9.135 9.135 8.695 0.440 25856 6615 1 18 . 1 1 14 14 LEU N N 14 129.942 129.942 125.997 3.945 25856 6616 1 18 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.817 -0.267 25856 6617 1 18 . 1 1 14 14 LEU C C 14 176.277 176.277 176.747 -0.470 25856 6618 1 18 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.087 0.588 25856 6619 1 18 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.979 1.025 25856 6620 1 18 . 1 1 14 14 LEU H H 14 9.536 9.536 8.174 1.362 25856 6621 1 18 . 1 1 15 15 ASP N N 15 113.621 113.621 120.480 -6.859 25856 6622 1 18 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.013 -0.035 25856 6623 1 18 . 1 1 15 15 ASP C C 15 174.864 174.864 175.214 -0.350 25856 6624 1 18 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.387 -0.070 25856 6625 1 18 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.157 0.613 25856 6626 1 18 . 1 1 15 15 ASP H H 15 7.609 7.609 7.902 -0.293 25856 6627 1 18 . 1 1 16 16 THR N N 16 115.901 115.901 112.925 2.976 25856 6628 1 18 . 1 1 16 16 THR HA H 16 4.298 4.298 4.498 -0.200 25856 6629 1 18 . 1 1 16 16 THR C C 16 172.704 172.704 173.547 -0.843 25856 6630 1 18 . 1 1 16 16 THR CA C 16 60.251 60.251 61.384 -1.133 25856 6631 1 18 . 1 1 16 16 THR CB C 16 69.494 69.494 69.488 0.006 25856 6632 1 18 . 1 1 16 16 THR H H 16 8.841 8.841 8.374 0.467 25856 6633 1 18 . 1 1 17 17 LEU N N 17 125.747 125.747 124.893 0.854 25856 6634 1 18 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.806 -0.123 25856 6635 1 18 . 1 1 17 17 LEU C C 17 174.509 174.509 175.376 -0.867 25856 6636 1 18 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.166 1.627 25856 6637 1 18 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.563 0.018 25856 6638 1 18 . 1 1 17 17 LEU H H 17 7.913 7.913 8.169 -0.256 25856 6639 1 18 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.221 0.103 25856 6640 1 18 . 1 1 18 18 PRO C C 18 175.973 175.973 176.869 -0.896 25856 6641 1 18 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.281 -0.132 25856 6642 1 18 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.065 0.163 25856 6643 1 18 . 1 1 19 19 ASN N N 19 115.147 115.147 118.783 -3.636 25856 6644 1 18 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.286 -0.055 25856 6645 1 18 . 1 1 19 19 ASN C C 19 174.180 174.180 174.803 -0.623 25856 6646 1 18 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.634 0.465 25856 6647 1 18 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.894 -0.984 25856 6648 1 18 . 1 1 19 19 ASN H H 19 8.598 8.598 8.792 -0.194 25856 6649 1 18 . 1 1 20 20 ALA N N 20 116.191 116.191 114.974 1.217 25856 6650 1 18 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.630 0.171 25856 6651 1 18 . 1 1 20 20 ALA C C 20 174.990 174.990 175.610 -0.620 25856 6652 1 18 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.131 -0.175 25856 6653 1 18 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.581 -1.038 25856 6654 1 18 . 1 1 20 20 ALA H H 20 8.335 8.335 8.004 0.331 25856 6655 1 18 . 1 1 21 21 MET N N 21 113.560 113.560 117.211 -3.651 25856 6656 1 18 . 1 1 21 21 MET HA H 21 5.124 5.124 5.185 -0.061 25856 6657 1 18 . 1 1 21 21 MET C C 21 175.205 175.205 175.074 0.131 25856 6658 1 18 . 1 1 21 21 MET CA C 21 54.597 54.597 54.410 0.187 25856 6659 1 18 . 1 1 21 21 MET CB C 21 35.150 35.150 34.366 0.784 25856 6660 1 18 . 1 1 21 21 MET H H 21 6.302 6.302 7.130 -0.828 25856 6661 1 18 . 1 1 22 22 PHE N N 22 117.199 117.199 119.437 -2.238 25856 6662 1 18 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.846 0.072 25856 6663 1 18 . 1 1 22 22 PHE C C 22 174.697 174.697 174.038 0.659 25856 6664 1 18 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.110 0.022 25856 6665 1 18 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.561 -0.427 25856 6666 1 18 . 1 1 22 22 PHE H H 22 9.007 9.007 9.443 -0.436 25856 6667 1 18 . 1 1 23 23 LYS N N 23 122.934 122.934 124.938 -2.004 25856 6668 1 18 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.973 0.144 25856 6669 1 18 . 1 1 23 23 LYS C C 23 175.853 175.853 174.939 0.914 25856 6670 1 18 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.572 0.024 25856 6671 1 18 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.393 0.629 25856 6672 1 18 . 1 1 23 23 LYS H H 23 8.340 8.340 8.837 -0.497 25856 6673 1 18 . 1 1 24 24 VAL N N 24 128.487 128.487 127.033 1.454 25856 6674 1 18 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.483 0.158 25856 6675 1 18 . 1 1 24 24 VAL C C 24 173.199 173.199 174.456 -1.257 25856 6676 1 18 . 1 1 24 24 VAL CA C 24 60.705 60.705 61.269 -0.564 25856 6677 1 18 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.486 1.123 25856 6678 1 18 . 1 1 24 24 VAL H H 24 9.123 9.123 8.775 0.348 25856 6679 1 18 . 1 1 25 25 GLU N N 25 127.440 127.440 124.909 2.531 25856 6680 1 18 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.064 -0.351 25856 6681 1 18 . 1 1 25 25 GLU C C 25 176.358 176.358 176.105 0.253 25856 6682 1 18 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.622 0.285 25856 6683 1 18 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.033 -0.394 25856 6684 1 18 . 1 1 25 25 GLU H H 25 9.017 9.017 8.705 0.312 25856 6685 1 18 . 1 1 26 26 LEU N N 26 128.629 128.629 125.111 3.518 25856 6686 1 18 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.230 0.574 25856 6687 1 18 . 1 1 26 26 LEU C C 26 179.339 179.339 178.559 0.780 25856 6688 1 18 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.942 -1.120 25856 6689 1 18 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.385 1.183 25856 6690 1 18 . 1 1 26 26 LEU H H 26 9.101 9.101 9.062 0.039 25856 6691 1 18 . 1 1 27 27 GLU N N 27 119.613 119.613 122.475 -2.862 25856 6692 1 18 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.072 0.090 25856 6693 1 18 . 1 1 27 27 GLU C C 27 175.724 175.724 177.417 -1.693 25856 6694 1 18 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.851 -0.462 25856 6695 1 18 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.007 0.675 25856 6696 1 18 . 1 1 27 27 GLU H H 27 8.794 8.794 8.769 0.025 25856 6697 1 18 . 1 1 28 28 ASN N N 28 114.625 114.625 116.579 -1.954 25856 6698 1 18 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.695 -0.084 25856 6699 1 18 . 1 1 28 28 ASN C C 28 176.299 176.299 176.210 0.089 25856 6700 1 18 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.329 -0.848 25856 6701 1 18 . 1 1 28 28 ASN CB C 28 37.706 37.706 39.160 -1.454 25856 6702 1 18 . 1 1 28 28 ASN H H 28 7.183 7.183 7.825 -0.642 25856 6703 1 18 . 1 1 29 29 GLY N N 29 107.903 107.903 107.587 0.316 25856 6704 1 18 . 1 1 29 29 GLY C C 29 174.243 174.243 173.700 0.543 25856 6705 1 18 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.382 -0.075 25856 6706 1 18 . 1 1 29 29 GLY H H 29 6.899 6.899 8.282 -1.383 25856 6707 1 18 . 1 1 30 30 HIS N N 30 118.953 118.953 118.890 0.063 25856 6708 1 18 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.746 -0.082 25856 6709 1 18 . 1 1 30 30 HIS C C 30 173.476 173.476 174.059 -0.583 25856 6710 1 18 . 1 1 30 30 HIS CA C 30 55.947 55.947 54.263 1.684 25856 6711 1 18 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.398 -1.237 25856 6712 1 18 . 1 1 30 30 HIS H H 30 7.739 7.739 8.024 -0.285 25856 6713 1 18 . 1 1 31 31 GLU N N 31 123.512 123.512 121.974 1.538 25856 6714 1 18 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.410 0.831 25856 6715 1 18 . 1 1 31 31 GLU C C 31 176.181 176.181 175.436 0.745 25856 6716 1 18 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.207 -0.119 25856 6717 1 18 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.755 1.128 25856 6718 1 18 . 1 1 31 31 GLU H H 31 8.495 8.495 8.098 0.397 25856 6719 1 18 . 1 1 32 32 ILE N N 32 117.654 117.654 115.486 2.168 25856 6720 1 18 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.775 -0.061 25856 6721 1 18 . 1 1 32 32 ILE C C 32 174.438 174.438 173.920 0.518 25856 6722 1 18 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.641 -0.451 25856 6723 1 18 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.517 1.718 25856 6724 1 18 . 1 1 32 32 ILE H H 32 9.005 9.005 8.807 0.198 25856 6725 1 18 . 1 1 33 33 LEU N N 33 122.166 122.166 125.520 -3.354 25856 6726 1 18 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.097 0.120 25856 6727 1 18 . 1 1 33 33 LEU C C 33 176.190 176.190 175.957 0.233 25856 6728 1 18 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.641 0.202 25856 6729 1 18 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.080 0.678 25856 6730 1 18 . 1 1 33 33 LEU H H 33 7.713 7.713 8.574 -0.861 25856 6731 1 18 . 1 1 34 34 ALA N N 34 125.096 125.096 125.829 -0.733 25856 6732 1 18 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.525 -0.033 25856 6733 1 18 . 1 1 34 34 ALA C C 34 175.700 175.700 175.336 0.364 25856 6734 1 18 . 1 1 34 34 ALA CA C 34 50.257 50.257 49.968 0.290 25856 6735 1 18 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.225 -0.074 25856 6736 1 18 . 1 1 34 34 ALA H H 34 9.442 9.442 9.284 0.158 25856 6737 1 18 . 1 1 35 35 HIS N N 35 117.670 117.670 120.056 -2.386 25856 6738 1 18 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.562 -0.054 25856 6739 1 18 . 1 1 35 35 HIS C C 35 174.787 174.787 175.245 -0.458 25856 6740 1 18 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.713 -0.284 25856 6741 1 18 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.752 -0.574 25856 6742 1 18 . 1 1 35 35 HIS H H 35 7.751 7.751 8.861 -1.110 25856 6743 1 18 . 1 1 36 36 VAL N N 36 119.236 119.236 122.435 -3.199 25856 6744 1 18 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.445 -0.043 25856 6745 1 18 . 1 1 36 36 VAL C C 36 175.551 175.551 175.558 -0.007 25856 6746 1 18 . 1 1 36 36 VAL CA C 36 62.333 62.333 60.976 1.357 25856 6747 1 18 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.809 0.580 25856 6748 1 18 . 1 1 36 36 VAL H H 36 9.217 9.217 7.693 1.524 25856 6749 1 18 . 1 1 37 37 SER N N 37 119.884 119.884 118.868 1.016 25856 6750 1 18 . 1 1 37 37 SER HA H 37 4.425 4.425 4.347 0.078 25856 6751 1 18 . 1 1 37 37 SER C C 37 175.003 175.003 176.053 -1.050 25856 6752 1 18 . 1 1 37 37 SER CA C 37 57.971 57.971 58.609 -0.638 25856 6753 1 18 . 1 1 37 37 SER CB C 37 64.761 64.761 64.436 0.325 25856 6754 1 18 . 1 1 37 37 SER H H 37 8.375 8.375 8.365 0.010 25856 6755 1 18 . 1 1 38 38 GLY N N 38 122.166 122.166 109.272 12.894 25856 6756 1 18 . 1 1 38 38 GLY C C 38 175.253 175.253 176.007 -0.754 25856 6757 1 18 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.880 -0.125 25856 6758 1 18 . 1 1 38 38 GLY H H 38 8.822 8.822 8.951 -0.129 25856 6759 1 18 . 1 1 39 39 LYS N N 39 120.070 120.070 122.000 -1.930 25856 6760 1 18 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.130 -0.073 25856 6761 1 18 . 1 1 39 39 LYS C C 39 177.734 177.734 178.450 -0.716 25856 6762 1 18 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.745 -0.709 25856 6763 1 18 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.529 0.459 25856 6764 1 18 . 1 1 39 39 LYS H H 39 8.135 8.135 7.392 0.743 25856 6765 1 18 . 1 1 40 40 ILE N N 40 117.925 117.925 119.797 -1.872 25856 6766 1 18 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.613 0.417 25856 6767 1 18 . 1 1 40 40 ILE C C 40 176.736 176.736 177.806 -1.070 25856 6768 1 18 . 1 1 40 40 ILE CA C 40 61.757 61.757 64.835 -3.078 25856 6769 1 18 . 1 1 40 40 ILE CB C 40 37.802 37.802 37.873 -0.071 25856 6770 1 18 . 1 1 40 40 ILE H H 40 7.416 7.416 7.432 -0.016 25856 6771 1 18 . 1 1 41 41 ARG N N 41 122.141 122.141 119.783 2.358 25856 6772 1 18 . 1 1 41 41 ARG HA H 41 4.106 4.106 3.959 0.147 25856 6773 1 18 . 1 1 41 41 ARG C C 41 177.543 177.543 178.942 -1.399 25856 6774 1 18 . 1 1 41 41 ARG CA C 41 58.036 58.036 59.467 -1.431 25856 6775 1 18 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.315 -0.205 25856 6776 1 18 . 1 1 41 41 ARG H H 41 7.912 7.912 7.800 0.112 25856 6777 1 18 . 1 1 42 42 MET N N 42 118.223 118.223 115.947 2.276 25856 6778 1 18 . 1 1 42 42 MET HA H 42 4.281 4.281 4.137 0.144 25856 6779 1 18 . 1 1 42 42 MET C C 42 175.862 175.862 178.023 -2.161 25856 6780 1 18 . 1 1 42 42 MET CA C 42 56.299 56.299 56.030 0.269 25856 6781 1 18 . 1 1 42 42 MET CB C 42 32.465 32.465 32.004 0.461 25856 6782 1 18 . 1 1 42 42 MET H H 42 8.090 8.090 7.789 0.301 25856 6783 1 18 . 1 1 43 43 ASN N N 43 117.020 117.020 116.103 0.917 25856 6784 1 18 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.670 -0.048 25856 6785 1 18 . 1 1 43 43 ASN C C 43 174.616 174.616 174.977 -0.361 25856 6786 1 18 . 1 1 43 43 ASN CA C 43 53.276 53.276 53.355 -0.079 25856 6787 1 18 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.262 -0.431 25856 6788 1 18 . 1 1 43 43 ASN H H 43 7.843 7.843 7.832 0.011 25856 6789 1 18 . 1 1 44 44 TYR N N 44 117.998 117.998 112.821 5.177 25856 6790 1 18 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.122 0.225 25856 6791 1 18 . 1 1 44 44 TYR C C 44 175.211 175.211 175.989 -0.778 25856 6792 1 18 . 1 1 44 44 TYR CA C 44 58.652 58.652 59.458 -0.806 25856 6793 1 18 . 1 1 44 44 TYR CB C 44 37.603 37.603 35.610 1.993 25856 6794 1 18 . 1 1 44 44 TYR H H 44 7.712 7.712 7.265 0.447 25856 6795 1 18 . 1 1 45 45 ILE N N 45 120.711 120.711 116.665 4.046 25856 6796 1 18 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.311 -0.368 25856 6797 1 18 . 1 1 45 45 ILE C C 45 173.895 173.895 175.339 -1.444 25856 6798 1 18 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.343 0.911 25856 6799 1 18 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.470 3.104 25856 6800 1 18 . 1 1 45 45 ILE H H 45 7.466 7.466 7.397 0.069 25856 6801 1 18 . 1 1 46 46 ARG N N 46 124.912 124.912 123.693 1.219 25856 6802 1 18 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.361 0.023 25856 6803 1 18 . 1 1 46 46 ARG C C 46 174.759 174.759 175.604 -0.845 25856 6804 1 18 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.875 -0.341 25856 6805 1 18 . 1 1 46 46 ARG CB C 46 30.762 30.762 30.894 -0.132 25856 6806 1 18 . 1 1 46 46 ARG H H 46 8.077 8.077 8.131 -0.054 25856 6807 1 18 . 1 1 47 47 ILE N N 47 125.326 125.326 120.682 4.644 25856 6808 1 18 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.307 -0.283 25856 6809 1 18 . 1 1 47 47 ILE C C 47 173.922 173.922 175.401 -1.479 25856 6810 1 18 . 1 1 47 47 ILE CA C 47 60.862 60.862 58.840 2.022 25856 6811 1 18 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.020 0.706 25856 6812 1 18 . 1 1 47 47 ILE H H 47 7.966 7.966 8.214 -0.248 25856 6813 1 18 . 1 1 48 48 LEU N N 48 128.989 128.989 128.311 0.678 25856 6814 1 18 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.968 -0.104 25856 6815 1 18 . 1 1 48 48 LEU C C 48 174.217 174.217 174.240 -0.023 25856 6816 1 18 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.027 0.688 25856 6817 1 18 . 1 1 48 48 LEU CB C 48 43.523 43.523 45.769 -2.246 25856 6818 1 18 . 1 1 48 48 LEU H H 48 8.765 8.765 9.503 -0.738 25856 6819 1 18 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.312 -0.455 25856 6820 1 18 . 1 1 49 49 PRO C C 49 176.960 176.960 177.221 -0.261 25856 6821 1 18 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.341 -0.400 25856 6822 1 18 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.446 -0.190 25856 6823 1 18 . 1 1 50 50 GLY N N 50 114.638 114.638 114.309 0.329 25856 6824 1 18 . 1 1 50 50 GLY C C 50 174.448 174.448 174.402 0.046 25856 6825 1 18 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.670 0.037 25856 6826 1 18 . 1 1 50 50 GLY H H 50 9.317 9.317 9.028 0.289 25856 6827 1 18 . 1 1 51 51 ASP N N 51 121.882 121.882 123.190 -1.308 25856 6828 1 18 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.670 -0.137 25856 6829 1 18 . 1 1 51 51 ASP C C 51 175.327 175.327 175.188 0.139 25856 6830 1 18 . 1 1 51 51 ASP CA C 51 55.393 55.393 54.730 0.664 25856 6831 1 18 . 1 1 51 51 ASP CB C 51 41.197 41.197 41.979 -0.782 25856 6832 1 18 . 1 1 51 51 ASP H H 51 8.099 8.099 8.405 -0.306 25856 6833 1 18 . 1 1 52 52 LYS N N 52 121.338 121.338 118.848 2.490 25856 6834 1 18 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.206 -0.119 25856 6835 1 18 . 1 1 52 52 LYS C C 52 176.315 176.315 175.681 0.634 25856 6836 1 18 . 1 1 52 52 LYS CA C 52 54.652 54.652 54.826 -0.174 25856 6837 1 18 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.646 -2.049 25856 6838 1 18 . 1 1 52 52 LYS H H 52 8.410 8.410 8.085 0.325 25856 6839 1 18 . 1 1 53 53 VAL N N 53 114.761 114.761 117.414 -2.653 25856 6840 1 18 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.925 0.325 25856 6841 1 18 . 1 1 53 53 VAL C C 53 174.278 174.278 174.508 -0.230 25856 6842 1 18 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.902 -1.922 25856 6843 1 18 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.298 0.964 25856 6844 1 18 . 1 1 53 53 VAL H H 53 8.693 8.693 8.906 -0.213 25856 6845 1 18 . 1 1 54 54 THR N N 54 117.231 117.231 119.893 -2.662 25856 6846 1 18 . 1 1 54 54 THR HA H 54 4.837 4.837 4.861 -0.024 25856 6847 1 18 . 1 1 54 54 THR C C 54 173.923 173.923 173.169 0.754 25856 6848 1 18 . 1 1 54 54 THR CA C 54 62.448 62.448 62.889 -0.440 25856 6849 1 18 . 1 1 54 54 THR CB C 54 69.891 69.891 69.585 0.306 25856 6850 1 18 . 1 1 54 54 THR H H 54 8.296 8.296 8.859 -0.563 25856 6851 1 18 . 1 1 55 55 VAL N N 55 124.203 124.203 127.941 -3.738 25856 6852 1 18 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.761 0.071 25856 6853 1 18 . 1 1 55 55 VAL C C 55 174.106 174.106 173.688 0.418 25856 6854 1 18 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.416 0.135 25856 6855 1 18 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.777 -0.201 25856 6856 1 18 . 1 1 55 55 VAL H H 55 9.331 9.331 9.296 0.035 25856 6857 1 18 . 1 1 56 56 GLU N N 56 123.984 123.984 130.046 -6.062 25856 6858 1 18 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.150 0.070 25856 6859 1 18 . 1 1 56 56 GLU C C 56 176.645 176.645 175.882 0.763 25856 6860 1 18 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.412 -1.010 25856 6861 1 18 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.982 1.718 25856 6862 1 18 . 1 1 56 56 GLU H H 56 9.143 9.143 9.037 0.106 25856 6863 1 18 . 1 1 57 57 MET N N 57 123.465 123.465 121.654 1.811 25856 6864 1 18 . 1 1 57 57 MET HA H 57 4.795 4.795 5.014 -0.219 25856 6865 1 18 . 1 1 57 57 MET C C 57 174.899 174.899 174.070 0.829 25856 6866 1 18 . 1 1 57 57 MET CA C 57 54.339 54.339 53.593 0.746 25856 6867 1 18 . 1 1 57 57 MET CB C 57 36.252 36.252 36.375 -0.123 25856 6868 1 18 . 1 1 57 57 MET H H 57 9.173 9.173 9.093 0.080 25856 6869 1 18 . 1 1 58 58 SER N N 58 117.390 117.390 115.143 2.247 25856 6870 1 18 . 1 1 58 58 SER HA H 58 5.039 5.039 4.870 0.169 25856 6871 1 18 . 1 1 58 58 SER C C 58 174.693 174.693 174.524 0.169 25856 6872 1 18 . 1 1 58 58 SER CA C 58 54.932 54.932 55.542 -0.610 25856 6873 1 18 . 1 1 58 58 SER CB C 58 64.587 64.587 63.190 1.397 25856 6874 1 18 . 1 1 58 58 SER H H 58 9.184 9.184 8.711 0.473 25856 6875 1 18 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.355 -0.249 25856 6876 1 18 . 1 1 59 59 PRO C C 59 176.290 176.290 176.976 -0.686 25856 6877 1 18 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.936 -1.083 25856 6878 1 18 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.916 -0.150 25856 6879 1 18 . 1 1 60 60 TYR N N 60 113.938 113.938 118.158 -4.220 25856 6880 1 18 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.524 -0.035 25856 6881 1 18 . 1 1 60 60 TYR C C 60 175.439 175.439 175.857 -0.418 25856 6882 1 18 . 1 1 60 60 TYR CA C 60 57.342 57.342 59.264 -1.922 25856 6883 1 18 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.555 -1.262 25856 6884 1 18 . 1 1 60 60 TYR H H 60 7.307 7.307 8.338 -1.031 25856 6885 1 18 . 1 1 61 61 ASP N N 61 118.283 118.283 119.545 -1.262 25856 6886 1 18 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.569 0.198 25856 6887 1 18 . 1 1 61 61 ASP C C 61 174.996 174.996 176.287 -1.291 25856 6888 1 18 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.953 -1.111 25856 6889 1 18 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.677 -1.255 25856 6890 1 18 . 1 1 61 61 ASP H H 61 7.418 7.418 7.864 -0.447 25856 6891 1 18 . 1 1 62 62 LEU N N 62 124.044 124.044 115.697 8.347 25856 6892 1 18 . 1 1 62 62 LEU HA H 62 4.487 4.487 4.010 0.477 25856 6893 1 18 . 1 1 62 62 LEU C C 62 177.109 177.109 176.336 0.773 25856 6894 1 18 . 1 1 62 62 LEU CA C 62 55.230 55.230 56.118 -0.888 25856 6895 1 18 . 1 1 62 62 LEU CB C 62 40.930 40.930 39.914 1.016 25856 6896 1 18 . 1 1 62 62 LEU H H 62 8.743 8.743 8.270 0.473 25856 6897 1 18 . 1 1 63 63 THR N N 63 107.624 107.624 110.190 -2.566 25856 6898 1 18 . 1 1 63 63 THR HA H 63 4.608 4.608 4.715 -0.107 25856 6899 1 18 . 1 1 63 63 THR C C 63 174.873 174.873 173.122 1.751 25856 6900 1 18 . 1 1 63 63 THR CA C 63 62.686 62.686 60.391 2.295 25856 6901 1 18 . 1 1 63 63 THR CB C 63 70.393 70.393 69.113 1.280 25856 6902 1 18 . 1 1 63 63 THR H H 63 8.415 8.415 8.475 -0.060 25856 6903 1 18 . 1 1 64 64 ARG N N 64 120.138 120.138 119.167 0.971 25856 6904 1 18 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.782 -0.163 25856 6905 1 18 . 1 1 64 64 ARG C C 64 174.858 174.858 174.918 -0.060 25856 6906 1 18 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.025 1.193 25856 6907 1 18 . 1 1 64 64 ARG CB C 64 34.526 34.526 34.595 -0.069 25856 6908 1 18 . 1 1 64 64 ARG H H 64 7.200 7.200 7.589 -0.389 25856 6909 1 18 . 1 1 65 65 GLY N N 65 106.034 106.034 105.866 0.168 25856 6910 1 18 . 1 1 65 65 GLY C C 65 171.075 171.075 171.897 -0.822 25856 6911 1 18 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.780 -0.427 25856 6912 1 18 . 1 1 65 65 GLY H H 65 8.618 8.618 8.110 0.508 25856 6913 1 18 . 1 1 66 66 ARG N N 66 118.635 118.635 120.433 -1.798 25856 6914 1 18 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.576 -0.590 25856 6915 1 18 . 1 1 66 66 ARG C C 66 175.345 175.345 174.423 0.922 25856 6916 1 18 . 1 1 66 66 ARG CA C 66 53.691 53.691 53.849 -0.158 25856 6917 1 18 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.508 -1.097 25856 6918 1 18 . 1 1 66 66 ARG H H 66 8.621 8.621 8.849 -0.228 25856 6919 1 18 . 1 1 67 67 ILE N N 67 125.220 125.220 128.071 -2.851 25856 6920 1 18 . 1 1 67 67 ILE HA H 67 4.402 4.402 5.027 -0.625 25856 6921 1 18 . 1 1 67 67 ILE C C 67 176.084 176.084 176.239 -0.155 25856 6922 1 18 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.206 2.093 25856 6923 1 18 . 1 1 67 67 ILE CB C 67 39.359 39.359 39.111 0.248 25856 6924 1 18 . 1 1 67 67 ILE H H 67 9.083 9.083 8.985 0.098 25856 6925 1 18 . 1 1 68 68 THR N N 68 117.584 117.584 120.122 -2.538 25856 6926 1 18 . 1 1 68 68 THR HA H 68 4.435 4.435 4.530 -0.095 25856 6927 1 18 . 1 1 68 68 THR C C 68 174.406 174.406 174.462 -0.056 25856 6928 1 18 . 1 1 68 68 THR CA C 68 61.164 61.164 62.170 -1.006 25856 6929 1 18 . 1 1 68 68 THR CB C 68 69.514 69.514 70.129 -0.615 25856 6930 1 18 . 1 1 68 68 THR H H 68 8.691 8.691 8.319 0.372 25856 6931 1 18 . 1 1 69 69 TYR N N 69 120.904 120.904 122.019 -1.115 25856 6932 1 18 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.756 -0.403 25856 6933 1 18 . 1 1 69 69 TYR C C 69 172.657 172.657 173.322 -0.665 25856 6934 1 18 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.945 0.789 25856 6935 1 18 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.748 -0.317 25856 6936 1 18 . 1 1 69 69 TYR H H 69 7.479 7.479 7.481 -0.002 25856 6937 1 18 . 1 1 70 70 ARG N N 70 125.781 125.781 125.523 0.258 25856 6938 1 18 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.608 0.083 25856 6939 1 18 . 1 1 70 70 ARG C C 70 174.016 174.016 174.426 -0.410 25856 6940 1 18 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.353 0.307 25856 6941 1 18 . 1 1 70 70 ARG CB C 70 31.816 31.816 32.737 -0.921 25856 6942 1 18 . 1 1 70 70 ARG H H 70 7.439 7.439 7.798 -0.359 25856 6943 1 18 . 1 1 71 71 TYR N N 71 124.942 124.942 123.919 1.023 25856 6944 1 18 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.396 -0.145 25856 6945 1 18 . 1 1 71 71 TYR C C 71 175.278 175.278 175.571 -0.293 25856 6946 1 18 . 1 1 71 71 TYR CA C 71 58.445 58.445 59.896 -1.451 25856 6947 1 18 . 1 1 71 71 TYR CB C 71 38.803 38.803 38.603 0.200 25856 6948 1 18 . 1 1 71 71 TYR H H 71 8.478 8.478 8.259 0.219 25856 6949 1 19 . 1 1 5 5 ASP N N 5 121.636 121.636 121.793 -0.157 25856 6950 1 19 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.538 0.043 25856 6951 1 19 . 1 1 5 5 ASP C C 5 175.317 175.317 174.906 0.411 25856 6952 1 19 . 1 1 5 5 ASP CA C 5 54.687 54.687 56.158 -1.471 25856 6953 1 19 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.285 -0.025 25856 6954 1 19 . 1 1 5 5 ASP H H 5 8.370 8.370 8.712 -0.342 25856 6955 1 19 . 1 1 6 6 VAL N N 6 116.054 116.054 116.808 -0.754 25856 6956 1 19 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.454 0.101 25856 6957 1 19 . 1 1 6 6 VAL C C 6 174.969 174.969 174.063 0.906 25856 6958 1 19 . 1 1 6 6 VAL CA C 6 60.949 60.949 61.044 -0.095 25856 6959 1 19 . 1 1 6 6 VAL CB C 6 35.032 35.032 35.419 -0.387 25856 6960 1 19 . 1 1 6 6 VAL H H 6 7.702 7.702 7.460 0.242 25856 6961 1 19 . 1 1 7 7 ILE N N 7 123.240 123.240 125.126 -1.886 25856 6962 1 19 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.459 -0.077 25856 6963 1 19 . 1 1 7 7 ILE C C 7 174.177 174.177 174.906 -0.729 25856 6964 1 19 . 1 1 7 7 ILE CA C 7 60.100 60.100 60.278 -0.178 25856 6965 1 19 . 1 1 7 7 ILE CB C 7 40.712 40.712 39.985 0.727 25856 6966 1 19 . 1 1 7 7 ILE H H 7 8.748 8.748 9.159 -0.411 25856 6967 1 19 . 1 1 8 8 GLU N N 8 124.266 124.266 127.840 -3.574 25856 6968 1 19 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.542 -0.192 25856 6969 1 19 . 1 1 8 8 GLU C C 8 175.592 175.592 175.590 0.002 25856 6970 1 19 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.352 -0.628 25856 6971 1 19 . 1 1 8 8 GLU CB C 8 33.510 33.510 31.435 2.075 25856 6972 1 19 . 1 1 8 8 GLU H H 8 8.236 8.236 8.699 -0.463 25856 6973 1 19 . 1 1 9 9 LEU N N 9 125.462 125.462 125.177 0.285 25856 6974 1 19 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.831 -0.054 25856 6975 1 19 . 1 1 9 9 LEU C C 9 174.654 174.654 175.764 -1.110 25856 6976 1 19 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.262 0.610 25856 6977 1 19 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.714 0.459 25856 6978 1 19 . 1 1 9 9 LEU H H 9 8.947 8.947 8.875 0.072 25856 6979 1 19 . 1 1 10 10 GLU N N 10 119.884 119.884 119.184 0.700 25856 6980 1 19 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.505 -0.329 25856 6981 1 19 . 1 1 10 10 GLU C C 10 176.424 176.424 176.072 0.352 25856 6982 1 19 . 1 1 10 10 GLU CA C 10 55.272 55.272 55.064 0.208 25856 6983 1 19 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.099 -0.284 25856 6984 1 19 . 1 1 10 10 GLU H H 10 8.697 8.697 8.639 0.058 25856 6985 1 19 . 1 1 11 11 GLY N N 11 107.302 107.302 109.662 -2.360 25856 6986 1 19 . 1 1 11 11 GLY C C 11 171.493 171.493 172.456 -0.963 25856 6987 1 19 . 1 1 11 11 GLY CA C 11 45.682 45.682 44.503 1.179 25856 6988 1 19 . 1 1 11 11 GLY H H 11 8.896 8.896 8.966 -0.070 25856 6989 1 19 . 1 1 12 12 THR N N 12 115.723 115.723 116.976 -1.253 25856 6990 1 19 . 1 1 12 12 THR HA H 12 5.057 5.057 5.217 -0.160 25856 6991 1 19 . 1 1 12 12 THR C C 12 174.347 174.347 173.613 0.734 25856 6992 1 19 . 1 1 12 12 THR CA C 12 61.226 61.226 61.557 -0.331 25856 6993 1 19 . 1 1 12 12 THR CB C 12 71.245 71.245 71.544 -0.299 25856 6994 1 19 . 1 1 12 12 THR H H 12 8.551 8.551 8.916 -0.365 25856 6995 1 19 . 1 1 13 13 VAL N N 13 127.141 127.141 127.127 0.014 25856 6996 1 19 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.459 -0.659 25856 6997 1 19 . 1 1 13 13 VAL C C 13 175.760 175.760 174.440 1.320 25856 6998 1 19 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.164 3.354 25856 6999 1 19 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.962 -1.407 25856 7000 1 19 . 1 1 13 13 VAL H H 13 9.135 9.135 8.748 0.387 25856 7001 1 19 . 1 1 14 14 LEU N N 14 129.942 129.942 129.088 0.854 25856 7002 1 19 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.620 -0.070 25856 7003 1 19 . 1 1 14 14 LEU C C 14 176.277 176.277 177.181 -0.904 25856 7004 1 19 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.812 -0.137 25856 7005 1 19 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.980 1.024 25856 7006 1 19 . 1 1 14 14 LEU H H 14 9.536 9.536 9.095 0.441 25856 7007 1 19 . 1 1 15 15 ASP N N 15 113.621 113.621 118.337 -4.716 25856 7008 1 19 . 1 1 15 15 ASP HA H 15 4.978 4.978 5.018 -0.040 25856 7009 1 19 . 1 1 15 15 ASP C C 15 174.864 174.864 175.225 -0.361 25856 7010 1 19 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.163 0.154 25856 7011 1 19 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.058 0.712 25856 7012 1 19 . 1 1 15 15 ASP H H 15 7.609 7.609 7.752 -0.143 25856 7013 1 19 . 1 1 16 16 THR N N 16 115.901 115.901 113.025 2.876 25856 7014 1 19 . 1 1 16 16 THR HA H 16 4.298 4.298 4.543 -0.245 25856 7015 1 19 . 1 1 16 16 THR C C 16 172.704 172.704 173.578 -0.874 25856 7016 1 19 . 1 1 16 16 THR CA C 16 60.251 60.251 61.688 -1.437 25856 7017 1 19 . 1 1 16 16 THR CB C 16 69.494 69.494 69.076 0.418 25856 7018 1 19 . 1 1 16 16 THR H H 16 8.841 8.841 8.397 0.444 25856 7019 1 19 . 1 1 17 17 LEU N N 17 125.747 125.747 125.971 -0.224 25856 7020 1 19 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.799 -0.116 25856 7021 1 19 . 1 1 17 17 LEU C C 17 174.509 174.509 175.448 -0.939 25856 7022 1 19 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.185 1.609 25856 7023 1 19 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.362 0.219 25856 7024 1 19 . 1 1 17 17 LEU H H 17 7.913 7.913 8.118 -0.205 25856 7025 1 19 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.198 0.126 25856 7026 1 19 . 1 1 18 18 PRO C C 18 175.973 175.973 176.972 -0.999 25856 7027 1 19 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.276 -0.127 25856 7028 1 19 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.031 0.197 25856 7029 1 19 . 1 1 19 19 ASN N N 19 115.147 115.147 118.601 -3.454 25856 7030 1 19 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.233 -0.002 25856 7031 1 19 . 1 1 19 19 ASN C C 19 174.180 174.180 174.802 -0.622 25856 7032 1 19 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.717 0.383 25856 7033 1 19 . 1 1 19 19 ASN CB C 19 36.910 36.910 38.196 -1.286 25856 7034 1 19 . 1 1 19 19 ASN H H 19 8.598 8.598 8.802 -0.204 25856 7035 1 19 . 1 1 20 20 ALA N N 20 116.191 116.191 115.468 0.723 25856 7036 1 19 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.599 0.202 25856 7037 1 19 . 1 1 20 20 ALA C C 20 174.990 174.990 175.372 -0.382 25856 7038 1 19 . 1 1 20 20 ALA CA C 20 52.956 52.956 52.858 0.098 25856 7039 1 19 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.432 -0.889 25856 7040 1 19 . 1 1 20 20 ALA H H 20 8.335 8.335 7.947 0.388 25856 7041 1 19 . 1 1 21 21 MET N N 21 113.560 113.560 117.109 -3.549 25856 7042 1 19 . 1 1 21 21 MET HA H 21 5.124 5.124 5.078 0.046 25856 7043 1 19 . 1 1 21 21 MET C C 21 175.205 175.205 174.849 0.356 25856 7044 1 19 . 1 1 21 21 MET CA C 21 54.597 54.597 54.671 -0.074 25856 7045 1 19 . 1 1 21 21 MET CB C 21 35.150 35.150 35.038 0.112 25856 7046 1 19 . 1 1 21 21 MET H H 21 6.302 6.302 7.112 -0.810 25856 7047 1 19 . 1 1 22 22 PHE N N 22 117.199 117.199 118.616 -1.417 25856 7048 1 19 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.958 -0.040 25856 7049 1 19 . 1 1 22 22 PHE C C 22 174.697 174.697 174.005 0.692 25856 7050 1 19 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.120 0.012 25856 7051 1 19 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.669 -0.535 25856 7052 1 19 . 1 1 22 22 PHE H H 22 9.007 9.007 9.420 -0.413 25856 7053 1 19 . 1 1 23 23 LYS N N 23 122.934 122.934 124.473 -1.539 25856 7054 1 19 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.858 0.259 25856 7055 1 19 . 1 1 23 23 LYS C C 23 175.853 175.853 174.927 0.926 25856 7056 1 19 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.815 -0.219 25856 7057 1 19 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.367 0.655 25856 7058 1 19 . 1 1 23 23 LYS H H 23 8.340 8.340 8.855 -0.515 25856 7059 1 19 . 1 1 24 24 VAL N N 24 128.487 128.487 127.000 1.487 25856 7060 1 19 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.571 0.070 25856 7061 1 19 . 1 1 24 24 VAL C C 24 173.199 173.199 174.438 -1.239 25856 7062 1 19 . 1 1 24 24 VAL CA C 24 60.705 60.705 61.380 -0.675 25856 7063 1 19 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.165 1.444 25856 7064 1 19 . 1 1 24 24 VAL H H 24 9.123 9.123 8.236 0.887 25856 7065 1 19 . 1 1 25 25 GLU N N 25 127.440 127.440 125.049 2.391 25856 7066 1 19 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.917 -0.204 25856 7067 1 19 . 1 1 25 25 GLU C C 25 176.358 176.358 175.783 0.575 25856 7068 1 19 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.455 0.452 25856 7069 1 19 . 1 1 25 25 GLU CB C 25 31.639 31.639 32.777 -1.138 25856 7070 1 19 . 1 1 25 25 GLU H H 25 9.017 9.017 8.987 0.030 25856 7071 1 19 . 1 1 26 26 LEU N N 26 128.629 128.629 124.872 3.757 25856 7072 1 19 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.567 0.237 25856 7073 1 19 . 1 1 26 26 LEU C C 26 179.339 179.339 178.867 0.472 25856 7074 1 19 . 1 1 26 26 LEU CA C 26 54.822 54.822 54.813 0.009 25856 7075 1 19 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.846 0.722 25856 7076 1 19 . 1 1 26 26 LEU H H 26 9.101 9.101 8.842 0.259 25856 7077 1 19 . 1 1 27 27 GLU N N 27 119.613 119.613 122.032 -2.419 25856 7078 1 19 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.103 0.059 25856 7079 1 19 . 1 1 27 27 GLU C C 27 175.724 175.724 177.625 -1.901 25856 7080 1 19 . 1 1 27 27 GLU CA C 27 58.389 58.389 58.996 -0.607 25856 7081 1 19 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.133 0.549 25856 7082 1 19 . 1 1 27 27 GLU H H 27 8.794 8.794 8.909 -0.115 25856 7083 1 19 . 1 1 28 28 ASN N N 28 114.625 114.625 117.635 -3.010 25856 7084 1 19 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.681 -0.070 25856 7085 1 19 . 1 1 28 28 ASN C C 28 176.299 176.299 176.132 0.167 25856 7086 1 19 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.310 -0.829 25856 7087 1 19 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.664 -0.958 25856 7088 1 19 . 1 1 28 28 ASN H H 28 7.183 7.183 7.963 -0.780 25856 7089 1 19 . 1 1 29 29 GLY N N 29 107.903 107.903 107.355 0.548 25856 7090 1 19 . 1 1 29 29 GLY C C 29 174.243 174.243 173.617 0.626 25856 7091 1 19 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.352 -0.045 25856 7092 1 19 . 1 1 29 29 GLY H H 29 6.899 6.899 7.659 -0.760 25856 7093 1 19 . 1 1 30 30 HIS N N 30 118.953 118.953 119.763 -0.810 25856 7094 1 19 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.713 -0.049 25856 7095 1 19 . 1 1 30 30 HIS C C 30 173.476 173.476 173.853 -0.377 25856 7096 1 19 . 1 1 30 30 HIS CA C 30 55.947 55.947 56.174 -0.227 25856 7097 1 19 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.470 -1.309 25856 7098 1 19 . 1 1 30 30 HIS H H 30 7.739 7.739 8.181 -0.442 25856 7099 1 19 . 1 1 31 31 GLU N N 31 123.512 123.512 125.215 -1.703 25856 7100 1 19 . 1 1 31 31 GLU HA H 31 5.241 5.241 5.245 -0.004 25856 7101 1 19 . 1 1 31 31 GLU C C 31 176.181 176.181 175.573 0.608 25856 7102 1 19 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.146 -0.058 25856 7103 1 19 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.628 1.255 25856 7104 1 19 . 1 1 31 31 GLU H H 31 8.495 8.495 8.535 -0.040 25856 7105 1 19 . 1 1 32 32 ILE N N 32 117.654 117.654 116.613 1.041 25856 7106 1 19 . 1 1 32 32 ILE HA H 32 4.714 4.714 5.118 -0.404 25856 7107 1 19 . 1 1 32 32 ILE C C 32 174.438 174.438 174.098 0.340 25856 7108 1 19 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.237 -0.048 25856 7109 1 19 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.925 1.309 25856 7110 1 19 . 1 1 32 32 ILE H H 32 9.005 9.005 8.294 0.711 25856 7111 1 19 . 1 1 33 33 LEU N N 33 122.166 122.166 122.856 -0.690 25856 7112 1 19 . 1 1 33 33 LEU HA H 33 5.217 5.217 4.975 0.242 25856 7113 1 19 . 1 1 33 33 LEU C C 33 176.190 176.190 175.497 0.693 25856 7114 1 19 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.611 0.231 25856 7115 1 19 . 1 1 33 33 LEU CB C 33 43.758 43.758 44.452 -0.694 25856 7116 1 19 . 1 1 33 33 LEU H H 33 7.713 7.713 8.209 -0.496 25856 7117 1 19 . 1 1 34 34 ALA N N 34 125.096 125.096 125.287 -0.191 25856 7118 1 19 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.396 0.096 25856 7119 1 19 . 1 1 34 34 ALA C C 34 175.700 175.700 175.065 0.635 25856 7120 1 19 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.157 0.100 25856 7121 1 19 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.194 -0.043 25856 7122 1 19 . 1 1 34 34 ALA H H 34 9.442 9.442 8.933 0.509 25856 7123 1 19 . 1 1 35 35 HIS N N 35 117.670 117.670 120.069 -2.399 25856 7124 1 19 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.429 0.079 25856 7125 1 19 . 1 1 35 35 HIS C C 35 174.787 174.787 175.492 -0.705 25856 7126 1 19 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.551 -0.122 25856 7127 1 19 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.453 -0.275 25856 7128 1 19 . 1 1 35 35 HIS H H 35 7.751 7.751 8.671 -0.920 25856 7129 1 19 . 1 1 36 36 VAL N N 36 119.236 119.236 123.873 -4.637 25856 7130 1 19 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.329 0.073 25856 7131 1 19 . 1 1 36 36 VAL C C 36 175.551 175.551 175.333 0.218 25856 7132 1 19 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.327 1.006 25856 7133 1 19 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.988 0.401 25856 7134 1 19 . 1 1 36 36 VAL H H 36 9.217 9.217 7.796 1.421 25856 7135 1 19 . 1 1 37 37 SER N N 37 119.884 119.884 119.037 0.847 25856 7136 1 19 . 1 1 37 37 SER HA H 37 4.425 4.425 4.399 0.026 25856 7137 1 19 . 1 1 37 37 SER C C 37 175.003 175.003 176.187 -1.184 25856 7138 1 19 . 1 1 37 37 SER CA C 37 57.971 57.971 58.524 -0.553 25856 7139 1 19 . 1 1 37 37 SER CB C 37 64.761 64.761 64.128 0.633 25856 7140 1 19 . 1 1 37 37 SER H H 37 8.375 8.375 7.993 0.382 25856 7141 1 19 . 1 1 38 38 GLY N N 38 122.166 122.166 108.768 13.398 25856 7142 1 19 . 1 1 38 38 GLY C C 38 175.253 175.253 175.859 -0.606 25856 7143 1 19 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.614 0.141 25856 7144 1 19 . 1 1 38 38 GLY H H 38 8.822 8.822 8.972 -0.150 25856 7145 1 19 . 1 1 39 39 LYS N N 39 120.070 120.070 122.069 -1.999 25856 7146 1 19 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.016 0.041 25856 7147 1 19 . 1 1 39 39 LYS C C 39 177.734 177.734 178.723 -0.989 25856 7148 1 19 . 1 1 39 39 LYS CA C 39 58.036 58.036 59.243 -1.207 25856 7149 1 19 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.451 0.537 25856 7150 1 19 . 1 1 39 39 LYS H H 39 8.135 8.135 7.426 0.709 25856 7151 1 19 . 1 1 40 40 ILE N N 40 117.925 117.925 117.748 0.177 25856 7152 1 19 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.978 0.052 25856 7153 1 19 . 1 1 40 40 ILE C C 40 176.736 176.736 177.429 -0.693 25856 7154 1 19 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.417 -1.660 25856 7155 1 19 . 1 1 40 40 ILE CB C 40 37.802 37.802 37.862 -0.060 25856 7156 1 19 . 1 1 40 40 ILE H H 40 7.416 7.416 7.784 -0.368 25856 7157 1 19 . 1 1 41 41 ARG N N 41 122.141 122.141 120.473 1.668 25856 7158 1 19 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.127 -0.021 25856 7159 1 19 . 1 1 41 41 ARG C C 41 177.543 177.543 178.913 -1.370 25856 7160 1 19 . 1 1 41 41 ARG CA C 41 58.036 58.036 59.738 -1.702 25856 7161 1 19 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.218 -0.108 25856 7162 1 19 . 1 1 41 41 ARG H H 41 7.912 7.912 7.451 0.461 25856 7163 1 19 . 1 1 42 42 MET N N 42 118.223 118.223 117.095 1.128 25856 7164 1 19 . 1 1 42 42 MET HA H 42 4.281 4.281 4.219 0.062 25856 7165 1 19 . 1 1 42 42 MET C C 42 175.862 175.862 176.688 -0.826 25856 7166 1 19 . 1 1 42 42 MET CA C 42 56.299 56.299 57.066 -0.767 25856 7167 1 19 . 1 1 42 42 MET CB C 42 32.465 32.465 32.597 -0.132 25856 7168 1 19 . 1 1 42 42 MET H H 42 8.090 8.090 8.099 -0.009 25856 7169 1 19 . 1 1 43 43 ASN N N 43 117.020 117.020 117.048 -0.028 25856 7170 1 19 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.540 0.082 25856 7171 1 19 . 1 1 43 43 ASN C C 43 174.616 174.616 175.492 -0.876 25856 7172 1 19 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.392 0.884 25856 7173 1 19 . 1 1 43 43 ASN CB C 43 38.831 38.831 40.318 -1.487 25856 7174 1 19 . 1 1 43 43 ASN H H 43 7.843 7.843 7.538 0.305 25856 7175 1 19 . 1 1 44 44 TYR N N 44 117.998 117.998 117.012 0.986 25856 7176 1 19 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.393 -0.046 25856 7177 1 19 . 1 1 44 44 TYR C C 44 175.211 175.211 176.782 -1.571 25856 7178 1 19 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.504 0.148 25856 7179 1 19 . 1 1 44 44 TYR CB C 44 37.603 37.603 37.871 -0.268 25856 7180 1 19 . 1 1 44 44 TYR H H 44 7.712 7.712 8.711 -0.999 25856 7181 1 19 . 1 1 45 45 ILE N N 45 120.711 120.711 118.208 2.503 25856 7182 1 19 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.218 -0.275 25856 7183 1 19 . 1 1 45 45 ILE C C 45 173.895 173.895 175.306 -1.411 25856 7184 1 19 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.273 0.981 25856 7185 1 19 . 1 1 45 45 ILE CB C 45 38.574 38.574 35.680 2.894 25856 7186 1 19 . 1 1 45 45 ILE H H 45 7.466 7.466 7.868 -0.402 25856 7187 1 19 . 1 1 46 46 ARG N N 46 124.912 124.912 121.974 2.938 25856 7188 1 19 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.207 0.177 25856 7189 1 19 . 1 1 46 46 ARG C C 46 174.759 174.759 176.246 -1.487 25856 7190 1 19 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.549 -0.015 25856 7191 1 19 . 1 1 46 46 ARG CB C 46 30.762 30.762 30.706 0.056 25856 7192 1 19 . 1 1 46 46 ARG H H 46 8.077 8.077 7.952 0.124 25856 7193 1 19 . 1 1 47 47 ILE N N 47 125.326 125.326 122.912 2.414 25856 7194 1 19 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.143 -0.119 25856 7195 1 19 . 1 1 47 47 ILE C C 47 173.922 173.922 175.950 -2.028 25856 7196 1 19 . 1 1 47 47 ILE CA C 47 60.862 60.862 59.318 1.544 25856 7197 1 19 . 1 1 47 47 ILE CB C 47 37.726 37.726 36.954 0.772 25856 7198 1 19 . 1 1 47 47 ILE H H 47 7.966 7.966 8.220 -0.254 25856 7199 1 19 . 1 1 48 48 LEU N N 48 128.989 128.989 130.059 -1.070 25856 7200 1 19 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.938 -0.074 25856 7201 1 19 . 1 1 48 48 LEU C C 48 174.217 174.217 174.355 -0.138 25856 7202 1 19 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.167 0.548 25856 7203 1 19 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.936 -1.413 25856 7204 1 19 . 1 1 48 48 LEU H H 48 8.765 8.765 9.382 -0.617 25856 7205 1 19 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.292 -0.434 25856 7206 1 19 . 1 1 49 49 PRO C C 49 176.960 176.960 177.175 -0.215 25856 7207 1 19 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.303 -0.362 25856 7208 1 19 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.501 -0.245 25856 7209 1 19 . 1 1 50 50 GLY N N 50 114.638 114.638 114.210 0.428 25856 7210 1 19 . 1 1 50 50 GLY C C 50 174.448 174.448 174.579 -0.131 25856 7211 1 19 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.801 -0.094 25856 7212 1 19 . 1 1 50 50 GLY H H 50 9.317 9.317 9.027 0.290 25856 7213 1 19 . 1 1 51 51 ASP N N 51 121.882 121.882 121.800 0.082 25856 7214 1 19 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.604 -0.071 25856 7215 1 19 . 1 1 51 51 ASP C C 51 175.327 175.327 174.726 0.601 25856 7216 1 19 . 1 1 51 51 ASP CA C 51 55.393 55.393 54.915 0.478 25856 7217 1 19 . 1 1 51 51 ASP CB C 51 41.197 41.197 41.846 -0.649 25856 7218 1 19 . 1 1 51 51 ASP H H 51 8.099 8.099 8.085 0.014 25856 7219 1 19 . 1 1 52 52 LYS N N 52 121.338 121.338 122.254 -0.916 25856 7220 1 19 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.253 -0.166 25856 7221 1 19 . 1 1 52 52 LYS C C 52 176.315 176.315 175.615 0.700 25856 7222 1 19 . 1 1 52 52 LYS CA C 52 54.652 54.652 55.262 -0.610 25856 7223 1 19 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.245 -1.648 25856 7224 1 19 . 1 1 52 52 LYS H H 52 8.410 8.410 8.587 -0.177 25856 7225 1 19 . 1 1 53 53 VAL N N 53 114.761 114.761 121.044 -6.283 25856 7226 1 19 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.732 0.518 25856 7227 1 19 . 1 1 53 53 VAL C C 53 174.278 174.278 174.408 -0.130 25856 7228 1 19 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.091 -1.111 25856 7229 1 19 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.483 0.779 25856 7230 1 19 . 1 1 53 53 VAL H H 53 8.693 8.693 9.125 -0.432 25856 7231 1 19 . 1 1 54 54 THR N N 54 117.231 117.231 118.804 -1.573 25856 7232 1 19 . 1 1 54 54 THR HA H 54 4.837 4.837 5.145 -0.308 25856 7233 1 19 . 1 1 54 54 THR C C 54 173.923 173.923 173.242 0.681 25856 7234 1 19 . 1 1 54 54 THR CA C 54 62.448 62.448 62.258 0.190 25856 7235 1 19 . 1 1 54 54 THR CB C 54 69.891 69.891 69.508 0.383 25856 7236 1 19 . 1 1 54 54 THR H H 54 8.296 8.296 8.712 -0.416 25856 7237 1 19 . 1 1 55 55 VAL N N 55 124.203 124.203 127.422 -3.219 25856 7238 1 19 . 1 1 55 55 VAL HA H 55 4.832 4.832 5.063 -0.231 25856 7239 1 19 . 1 1 55 55 VAL C C 55 174.106 174.106 173.878 0.228 25856 7240 1 19 . 1 1 55 55 VAL CA C 55 59.551 59.551 58.903 0.648 25856 7241 1 19 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.249 -0.673 25856 7242 1 19 . 1 1 55 55 VAL H H 55 9.331 9.331 9.364 -0.033 25856 7243 1 19 . 1 1 56 56 GLU N N 56 123.984 123.984 128.057 -4.073 25856 7244 1 19 . 1 1 56 56 GLU HA H 56 5.220 5.220 4.991 0.229 25856 7245 1 19 . 1 1 56 56 GLU C C 56 176.645 176.645 175.316 1.329 25856 7246 1 19 . 1 1 56 56 GLU CA C 56 54.402 54.402 54.870 -0.468 25856 7247 1 19 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.706 1.994 25856 7248 1 19 . 1 1 56 56 GLU H H 56 9.143 9.143 9.171 -0.028 25856 7249 1 19 . 1 1 57 57 MET N N 57 123.465 123.465 123.930 -0.465 25856 7250 1 19 . 1 1 57 57 MET HA H 57 4.795 4.795 4.956 -0.161 25856 7251 1 19 . 1 1 57 57 MET C C 57 174.899 174.899 175.546 -0.647 25856 7252 1 19 . 1 1 57 57 MET CA C 57 54.339 54.339 54.117 0.222 25856 7253 1 19 . 1 1 57 57 MET CB C 57 36.252 36.252 37.427 -1.175 25856 7254 1 19 . 1 1 57 57 MET H H 57 9.173 9.173 9.126 0.047 25856 7255 1 19 . 1 1 58 58 SER N N 58 117.390 117.390 117.917 -0.527 25856 7256 1 19 . 1 1 58 58 SER HA H 58 5.039 5.039 4.950 0.089 25856 7257 1 19 . 1 1 58 58 SER C C 58 174.693 174.693 174.142 0.551 25856 7258 1 19 . 1 1 58 58 SER CA C 58 54.932 54.932 56.352 -1.420 25856 7259 1 19 . 1 1 58 58 SER CB C 58 64.587 64.587 63.035 1.552 25856 7260 1 19 . 1 1 58 58 SER H H 58 9.184 9.184 9.048 0.136 25856 7261 1 19 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.301 -0.195 25856 7262 1 19 . 1 1 59 59 PRO C C 59 176.290 176.290 176.291 -0.001 25856 7263 1 19 . 1 1 59 59 PRO CA C 59 63.853 63.853 65.138 -1.284 25856 7264 1 19 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.795 -0.029 25856 7265 1 19 . 1 1 60 60 TYR N N 60 113.938 113.938 115.941 -2.003 25856 7266 1 19 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.553 -0.064 25856 7267 1 19 . 1 1 60 60 TYR C C 60 175.439 175.439 175.187 0.252 25856 7268 1 19 . 1 1 60 60 TYR CA C 60 57.342 57.342 58.308 -0.966 25856 7269 1 19 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.017 -0.724 25856 7270 1 19 . 1 1 60 60 TYR H H 60 7.307 7.307 7.838 -0.531 25856 7271 1 19 . 1 1 61 61 ASP N N 61 118.283 118.283 119.823 -1.540 25856 7272 1 19 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.580 0.187 25856 7273 1 19 . 1 1 61 61 ASP C C 61 174.996 174.996 176.497 -1.501 25856 7274 1 19 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.439 -0.597 25856 7275 1 19 . 1 1 61 61 ASP CB C 61 41.422 41.422 43.421 -1.999 25856 7276 1 19 . 1 1 61 61 ASP H H 61 7.418 7.418 7.867 -0.449 25856 7277 1 19 . 1 1 62 62 LEU N N 62 124.044 124.044 117.817 6.227 25856 7278 1 19 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.973 0.514 25856 7279 1 19 . 1 1 62 62 LEU C C 62 177.109 177.109 175.242 1.867 25856 7280 1 19 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.909 -0.679 25856 7281 1 19 . 1 1 62 62 LEU CB C 62 40.930 40.930 41.210 -0.280 25856 7282 1 19 . 1 1 62 62 LEU H H 62 8.743 8.743 8.218 0.525 25856 7283 1 19 . 1 1 63 63 THR N N 63 107.624 107.624 111.128 -3.504 25856 7284 1 19 . 1 1 63 63 THR HA H 63 4.608 4.608 4.423 0.185 25856 7285 1 19 . 1 1 63 63 THR C C 63 174.873 174.873 173.481 1.392 25856 7286 1 19 . 1 1 63 63 THR CA C 63 62.686 62.686 62.583 0.103 25856 7287 1 19 . 1 1 63 63 THR CB C 63 70.393 70.393 70.666 -0.273 25856 7288 1 19 . 1 1 63 63 THR H H 63 8.415 8.415 8.949 -0.534 25856 7289 1 19 . 1 1 64 64 ARG N N 64 120.138 120.138 120.334 -0.196 25856 7290 1 19 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.680 -0.061 25856 7291 1 19 . 1 1 64 64 ARG C C 64 174.858 174.858 175.333 -0.475 25856 7292 1 19 . 1 1 64 64 ARG CA C 64 54.218 54.218 52.752 1.466 25856 7293 1 19 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.564 0.962 25856 7294 1 19 . 1 1 64 64 ARG H H 64 7.200 7.200 8.912 -1.712 25856 7295 1 19 . 1 1 65 65 GLY N N 65 106.034 106.034 108.160 -2.126 25856 7296 1 19 . 1 1 65 65 GLY C C 65 171.075 171.075 171.810 -0.735 25856 7297 1 19 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.535 -0.181 25856 7298 1 19 . 1 1 65 65 GLY H H 65 8.618 8.618 8.078 0.540 25856 7299 1 19 . 1 1 66 66 ARG N N 66 118.635 118.635 118.960 -0.325 25856 7300 1 19 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.617 -0.631 25856 7301 1 19 . 1 1 66 66 ARG C C 66 175.345 175.345 174.705 0.640 25856 7302 1 19 . 1 1 66 66 ARG CA C 66 53.691 53.691 53.922 -0.231 25856 7303 1 19 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.931 -1.520 25856 7304 1 19 . 1 1 66 66 ARG H H 66 8.621 8.621 8.537 0.084 25856 7305 1 19 . 1 1 67 67 ILE N N 67 125.220 125.220 126.049 -0.829 25856 7306 1 19 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.721 -0.319 25856 7307 1 19 . 1 1 67 67 ILE C C 67 176.084 176.084 176.707 -0.623 25856 7308 1 19 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.888 1.411 25856 7309 1 19 . 1 1 67 67 ILE CB C 67 39.359 39.359 37.787 1.572 25856 7310 1 19 . 1 1 67 67 ILE H H 67 9.083 9.083 8.705 0.378 25856 7311 1 19 . 1 1 68 68 THR N N 68 117.584 117.584 121.068 -3.484 25856 7312 1 19 . 1 1 68 68 THR HA H 68 4.435 4.435 4.389 0.046 25856 7313 1 19 . 1 1 68 68 THR C C 68 174.406 174.406 174.193 0.213 25856 7314 1 19 . 1 1 68 68 THR CA C 68 61.164 61.164 62.637 -1.473 25856 7315 1 19 . 1 1 68 68 THR CB C 68 69.514 69.514 70.305 -0.791 25856 7316 1 19 . 1 1 68 68 THR H H 68 8.691 8.691 8.684 0.007 25856 7317 1 19 . 1 1 69 69 TYR N N 69 120.904 120.904 120.687 0.217 25856 7318 1 19 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.616 -0.263 25856 7319 1 19 . 1 1 69 69 TYR C C 69 172.657 172.657 172.670 -0.013 25856 7320 1 19 . 1 1 69 69 TYR CA C 69 58.734 58.734 58.077 0.657 25856 7321 1 19 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.947 -0.516 25856 7322 1 19 . 1 1 69 69 TYR H H 69 7.479 7.479 7.514 -0.035 25856 7323 1 19 . 1 1 70 70 ARG N N 70 125.781 125.781 123.652 2.129 25856 7324 1 19 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.368 0.323 25856 7325 1 19 . 1 1 70 70 ARG C C 70 174.016 174.016 173.809 0.207 25856 7326 1 19 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.102 0.559 25856 7327 1 19 . 1 1 70 70 ARG CB C 70 31.816 31.816 32.278 -0.462 25856 7328 1 19 . 1 1 70 70 ARG H H 70 7.439 7.439 7.814 -0.375 25856 7329 1 19 . 1 1 71 71 TYR N N 71 124.942 124.942 124.526 0.416 25856 7330 1 19 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.102 0.149 25856 7331 1 19 . 1 1 71 71 TYR C C 71 175.278 175.278 175.075 0.203 25856 7332 1 19 . 1 1 71 71 TYR CA C 71 58.445 58.445 59.282 -0.837 25856 7333 1 19 . 1 1 71 71 TYR CB C 71 38.803 38.803 38.813 -0.010 25856 7334 1 19 . 1 1 71 71 TYR H H 71 8.478 8.478 8.224 0.254 25856 7335 1 20 . 1 1 5 5 ASP N N 5 121.636 121.636 119.691 1.945 25856 7336 1 20 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.773 -0.192 25856 7337 1 20 . 1 1 5 5 ASP C C 5 175.317 175.317 175.550 -0.233 25856 7338 1 20 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.162 -0.475 25856 7339 1 20 . 1 1 5 5 ASP CB C 5 41.260 41.260 42.833 -1.573 25856 7340 1 20 . 1 1 5 5 ASP H H 5 8.370 8.370 8.493 -0.123 25856 7341 1 20 . 1 1 6 6 VAL N N 6 116.054 116.054 118.628 -2.574 25856 7342 1 20 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.316 0.239 25856 7343 1 20 . 1 1 6 6 VAL C C 6 174.969 174.969 174.080 0.889 25856 7344 1 20 . 1 1 6 6 VAL CA C 6 60.949 60.949 61.197 -0.247 25856 7345 1 20 . 1 1 6 6 VAL CB C 6 35.032 35.032 35.638 -0.606 25856 7346 1 20 . 1 1 6 6 VAL H H 6 7.702 7.702 7.530 0.172 25856 7347 1 20 . 1 1 7 7 ILE N N 7 123.240 123.240 125.004 -1.764 25856 7348 1 20 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.462 -0.080 25856 7349 1 20 . 1 1 7 7 ILE C C 7 174.177 174.177 174.863 -0.686 25856 7350 1 20 . 1 1 7 7 ILE CA C 7 60.100 60.100 58.878 1.222 25856 7351 1 20 . 1 1 7 7 ILE CB C 7 40.712 40.712 39.165 1.547 25856 7352 1 20 . 1 1 7 7 ILE H H 7 8.748 8.748 9.299 -0.551 25856 7353 1 20 . 1 1 8 8 GLU N N 8 124.266 124.266 126.168 -1.902 25856 7354 1 20 . 1 1 8 8 GLU HA H 8 5.350 5.350 4.806 0.544 25856 7355 1 20 . 1 1 8 8 GLU C C 8 175.592 175.592 175.604 -0.012 25856 7356 1 20 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.873 -1.149 25856 7357 1 20 . 1 1 8 8 GLU CB C 8 33.510 33.510 29.863 3.647 25856 7358 1 20 . 1 1 8 8 GLU H H 8 8.236 8.236 8.574 -0.338 25856 7359 1 20 . 1 1 9 9 LEU N N 9 125.462 125.462 125.390 0.072 25856 7360 1 20 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.728 0.049 25856 7361 1 20 . 1 1 9 9 LEU C C 9 174.654 174.654 175.856 -1.202 25856 7362 1 20 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.252 0.620 25856 7363 1 20 . 1 1 9 9 LEU CB C 9 47.173 47.173 45.725 1.448 25856 7364 1 20 . 1 1 9 9 LEU H H 9 8.947 8.947 9.005 -0.058 25856 7365 1 20 . 1 1 10 10 GLU N N 10 119.884 119.884 119.394 0.490 25856 7366 1 20 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.062 0.114 25856 7367 1 20 . 1 1 10 10 GLU C C 10 176.424 176.424 176.092 0.332 25856 7368 1 20 . 1 1 10 10 GLU CA C 10 55.272 55.272 55.012 0.260 25856 7369 1 20 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.670 -0.855 25856 7370 1 20 . 1 1 10 10 GLU H H 10 8.697 8.697 8.602 0.095 25856 7371 1 20 . 1 1 11 11 GLY N N 11 107.302 107.302 109.039 -1.737 25856 7372 1 20 . 1 1 11 11 GLY C C 11 171.493 171.493 172.255 -0.762 25856 7373 1 20 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.384 0.298 25856 7374 1 20 . 1 1 11 11 GLY H H 11 8.896 8.896 8.922 -0.026 25856 7375 1 20 . 1 1 12 12 THR N N 12 115.723 115.723 116.781 -1.058 25856 7376 1 20 . 1 1 12 12 THR HA H 12 5.057 5.057 4.994 0.063 25856 7377 1 20 . 1 1 12 12 THR C C 12 174.347 174.347 173.154 1.193 25856 7378 1 20 . 1 1 12 12 THR CA C 12 61.226 61.226 61.787 -0.561 25856 7379 1 20 . 1 1 12 12 THR CB C 12 71.245 71.245 71.872 -0.627 25856 7380 1 20 . 1 1 12 12 THR H H 12 8.551 8.551 9.007 -0.456 25856 7381 1 20 . 1 1 13 13 VAL N N 13 127.141 127.141 126.859 0.282 25856 7382 1 20 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.198 -0.398 25856 7383 1 20 . 1 1 13 13 VAL C C 13 175.760 175.760 174.283 1.477 25856 7384 1 20 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.252 3.266 25856 7385 1 20 . 1 1 13 13 VAL CB C 13 31.555 31.555 33.081 -1.526 25856 7386 1 20 . 1 1 13 13 VAL H H 13 9.135 9.135 8.726 0.409 25856 7387 1 20 . 1 1 14 14 LEU N N 14 129.942 129.942 128.557 1.385 25856 7388 1 20 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.487 0.063 25856 7389 1 20 . 1 1 14 14 LEU C C 14 176.277 176.277 177.061 -0.784 25856 7390 1 20 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.643 0.032 25856 7391 1 20 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.920 1.084 25856 7392 1 20 . 1 1 14 14 LEU H H 14 9.536 9.536 8.258 1.278 25856 7393 1 20 . 1 1 15 15 ASP N N 15 113.621 113.621 117.767 -4.146 25856 7394 1 20 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.950 0.028 25856 7395 1 20 . 1 1 15 15 ASP C C 15 174.864 174.864 174.713 0.151 25856 7396 1 20 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.252 0.065 25856 7397 1 20 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.264 0.506 25856 7398 1 20 . 1 1 15 15 ASP H H 15 7.609 7.609 7.572 0.037 25856 7399 1 20 . 1 1 16 16 THR N N 16 115.901 115.901 112.924 2.977 25856 7400 1 20 . 1 1 16 16 THR HA H 16 4.298 4.298 4.405 -0.107 25856 7401 1 20 . 1 1 16 16 THR C C 16 172.704 172.704 173.477 -0.773 25856 7402 1 20 . 1 1 16 16 THR CA C 16 60.251 60.251 61.623 -1.372 25856 7403 1 20 . 1 1 16 16 THR CB C 16 69.494 69.494 69.243 0.251 25856 7404 1 20 . 1 1 16 16 THR H H 16 8.841 8.841 8.244 0.597 25856 7405 1 20 . 1 1 17 17 LEU N N 17 125.747 125.747 124.570 1.177 25856 7406 1 20 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.781 -0.098 25856 7407 1 20 . 1 1 17 17 LEU C C 17 174.509 174.509 175.392 -0.883 25856 7408 1 20 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.107 1.687 25856 7409 1 20 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.723 -0.142 25856 7410 1 20 . 1 1 17 17 LEU H H 17 7.913 7.913 7.653 0.260 25856 7411 1 20 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.316 0.008 25856 7412 1 20 . 1 1 18 18 PRO C C 18 175.973 175.973 176.651 -0.678 25856 7413 1 20 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.307 -0.158 25856 7414 1 20 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.054 0.174 25856 7415 1 20 . 1 1 19 19 ASN N N 19 115.147 115.147 119.172 -4.025 25856 7416 1 20 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.484 -0.253 25856 7417 1 20 . 1 1 19 19 ASN C C 19 174.180 174.180 174.980 -0.800 25856 7418 1 20 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.307 0.792 25856 7419 1 20 . 1 1 19 19 ASN CB C 19 36.910 36.910 38.116 -1.206 25856 7420 1 20 . 1 1 19 19 ASN H H 19 8.598 8.598 8.512 0.086 25856 7421 1 20 . 1 1 20 20 ALA N N 20 116.191 116.191 114.281 1.910 25856 7422 1 20 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.640 0.161 25856 7423 1 20 . 1 1 20 20 ALA C C 20 174.990 174.990 175.302 -0.312 25856 7424 1 20 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.275 -0.319 25856 7425 1 20 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.797 -1.254 25856 7426 1 20 . 1 1 20 20 ALA H H 20 8.335 8.335 8.333 0.002 25856 7427 1 20 . 1 1 21 21 MET N N 21 113.560 113.560 116.082 -2.522 25856 7428 1 20 . 1 1 21 21 MET HA H 21 5.124 5.124 5.407 -0.283 25856 7429 1 20 . 1 1 21 21 MET C C 21 175.205 175.205 174.416 0.789 25856 7430 1 20 . 1 1 21 21 MET CA C 21 54.597 54.597 54.146 0.451 25856 7431 1 20 . 1 1 21 21 MET CB C 21 35.150 35.150 35.987 -0.837 25856 7432 1 20 . 1 1 21 21 MET H H 21 6.302 6.302 7.125 -0.823 25856 7433 1 20 . 1 1 22 22 PHE N N 22 117.199 117.199 119.829 -2.630 25856 7434 1 20 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.862 0.056 25856 7435 1 20 . 1 1 22 22 PHE C C 22 174.697 174.697 173.634 1.063 25856 7436 1 20 . 1 1 22 22 PHE CA C 22 57.132 57.132 56.977 0.155 25856 7437 1 20 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.661 -0.527 25856 7438 1 20 . 1 1 22 22 PHE H H 22 9.007 9.007 9.439 -0.432 25856 7439 1 20 . 1 1 23 23 LYS N N 23 122.934 122.934 123.694 -0.760 25856 7440 1 20 . 1 1 23 23 LYS HA H 23 5.117 5.117 5.165 -0.048 25856 7441 1 20 . 1 1 23 23 LYS C C 23 175.853 175.853 175.169 0.684 25856 7442 1 20 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.195 0.401 25856 7443 1 20 . 1 1 23 23 LYS CB C 23 34.022 34.022 32.798 1.224 25856 7444 1 20 . 1 1 23 23 LYS H H 23 8.340 8.340 8.515 -0.175 25856 7445 1 20 . 1 1 24 24 VAL N N 24 128.487 128.487 125.226 3.261 25856 7446 1 20 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.396 0.245 25856 7447 1 20 . 1 1 24 24 VAL C C 24 173.199 173.199 174.676 -1.477 25856 7448 1 20 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.407 0.298 25856 7449 1 20 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.460 1.149 25856 7450 1 20 . 1 1 24 24 VAL H H 24 9.123 9.123 9.111 0.012 25856 7451 1 20 . 1 1 25 25 GLU N N 25 127.440 127.440 123.748 3.692 25856 7452 1 20 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.315 -0.602 25856 7453 1 20 . 1 1 25 25 GLU C C 25 176.358 176.358 176.488 -0.130 25856 7454 1 20 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.424 0.483 25856 7455 1 20 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.601 0.038 25856 7456 1 20 . 1 1 25 25 GLU H H 25 9.017 9.017 8.904 0.113 25856 7457 1 20 . 1 1 26 26 LEU N N 26 128.629 128.629 125.403 3.226 25856 7458 1 20 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.467 0.337 25856 7459 1 20 . 1 1 26 26 LEU C C 26 179.339 179.339 178.855 0.484 25856 7460 1 20 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.693 -0.871 25856 7461 1 20 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.437 1.131 25856 7462 1 20 . 1 1 26 26 LEU H H 26 9.101 9.101 9.076 0.025 25856 7463 1 20 . 1 1 27 27 GLU N N 27 119.613 119.613 121.815 -2.202 25856 7464 1 20 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.026 0.136 25856 7465 1 20 . 1 1 27 27 GLU C C 27 175.724 175.724 177.784 -2.060 25856 7466 1 20 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.114 -0.725 25856 7467 1 20 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.041 0.641 25856 7468 1 20 . 1 1 27 27 GLU H H 27 8.794 8.794 8.533 0.261 25856 7469 1 20 . 1 1 28 28 ASN N N 28 114.625 114.625 116.212 -1.587 25856 7470 1 20 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.698 -0.087 25856 7471 1 20 . 1 1 28 28 ASN C C 28 176.299 176.299 176.256 0.043 25856 7472 1 20 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.212 -0.731 25856 7473 1 20 . 1 1 28 28 ASN CB C 28 37.706 37.706 39.155 -1.449 25856 7474 1 20 . 1 1 28 28 ASN H H 28 7.183 7.183 7.935 -0.752 25856 7475 1 20 . 1 1 29 29 GLY N N 29 107.903 107.903 107.561 0.342 25856 7476 1 20 . 1 1 29 29 GLY C C 29 174.243 174.243 173.443 0.800 25856 7477 1 20 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.327 -0.020 25856 7478 1 20 . 1 1 29 29 GLY H H 29 6.899 6.899 8.178 -1.279 25856 7479 1 20 . 1 1 30 30 HIS N N 30 118.953 118.953 119.130 -0.177 25856 7480 1 20 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.767 -0.103 25856 7481 1 20 . 1 1 30 30 HIS C C 30 173.476 173.476 174.004 -0.528 25856 7482 1 20 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.088 0.859 25856 7483 1 20 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.642 -1.481 25856 7484 1 20 . 1 1 30 30 HIS H H 30 7.739 7.739 7.793 -0.054 25856 7485 1 20 . 1 1 31 31 GLU N N 31 123.512 123.512 122.855 0.657 25856 7486 1 20 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.786 0.455 25856 7487 1 20 . 1 1 31 31 GLU C C 31 176.181 176.181 174.885 1.296 25856 7488 1 20 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.045 0.043 25856 7489 1 20 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.201 1.682 25856 7490 1 20 . 1 1 31 31 GLU H H 31 8.495 8.495 7.936 0.559 25856 7491 1 20 . 1 1 32 32 ILE N N 32 117.654 117.654 116.175 1.479 25856 7492 1 20 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.886 -0.172 25856 7493 1 20 . 1 1 32 32 ILE C C 32 174.438 174.438 173.927 0.511 25856 7494 1 20 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.572 -0.382 25856 7495 1 20 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.887 1.347 25856 7496 1 20 . 1 1 32 32 ILE H H 32 9.005 9.005 8.980 0.025 25856 7497 1 20 . 1 1 33 33 LEU N N 33 122.166 122.166 124.722 -2.556 25856 7498 1 20 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.181 0.036 25856 7499 1 20 . 1 1 33 33 LEU C C 33 176.190 176.190 175.847 0.343 25856 7500 1 20 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.549 0.294 25856 7501 1 20 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.022 0.737 25856 7502 1 20 . 1 1 33 33 LEU H H 33 7.713 7.713 8.845 -1.132 25856 7503 1 20 . 1 1 34 34 ALA N N 34 125.096 125.096 125.878 -0.782 25856 7504 1 20 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.386 0.106 25856 7505 1 20 . 1 1 34 34 ALA C C 34 175.700 175.700 175.098 0.602 25856 7506 1 20 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.199 0.058 25856 7507 1 20 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.155 -0.004 25856 7508 1 20 . 1 1 34 34 ALA H H 34 9.442 9.442 9.334 0.108 25856 7509 1 20 . 1 1 35 35 HIS N N 35 117.670 117.670 120.508 -2.838 25856 7510 1 20 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.585 -0.077 25856 7511 1 20 . 1 1 35 35 HIS C C 35 174.787 174.787 175.590 -0.803 25856 7512 1 20 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.593 -0.164 25856 7513 1 20 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.602 -0.424 25856 7514 1 20 . 1 1 35 35 HIS H H 35 7.751 7.751 8.998 -1.247 25856 7515 1 20 . 1 1 36 36 VAL N N 36 119.236 119.236 122.657 -3.421 25856 7516 1 20 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.614 -0.212 25856 7517 1 20 . 1 1 36 36 VAL C C 36 175.551 175.551 175.919 -0.368 25856 7518 1 20 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.056 1.277 25856 7519 1 20 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.790 0.599 25856 7520 1 20 . 1 1 36 36 VAL H H 36 9.217 9.217 8.130 1.087 25856 7521 1 20 . 1 1 37 37 SER N N 37 119.884 119.884 119.277 0.607 25856 7522 1 20 . 1 1 37 37 SER HA H 37 4.425 4.425 4.427 -0.002 25856 7523 1 20 . 1 1 37 37 SER C C 37 175.003 175.003 176.073 -1.070 25856 7524 1 20 . 1 1 37 37 SER CA C 37 57.971 57.971 58.592 -0.621 25856 7525 1 20 . 1 1 37 37 SER CB C 37 64.761 64.761 64.407 0.354 25856 7526 1 20 . 1 1 37 37 SER H H 37 8.375 8.375 8.484 -0.109 25856 7527 1 20 . 1 1 38 38 GLY N N 38 122.166 122.166 108.980 13.186 25856 7528 1 20 . 1 1 38 38 GLY C C 38 175.253 175.253 176.224 -0.971 25856 7529 1 20 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.717 0.038 25856 7530 1 20 . 1 1 38 38 GLY H H 38 8.822 8.822 8.964 -0.142 25856 7531 1 20 . 1 1 39 39 LYS N N 39 120.070 120.070 121.763 -1.693 25856 7532 1 20 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.133 -0.076 25856 7533 1 20 . 1 1 39 39 LYS C C 39 177.734 177.734 178.397 -0.663 25856 7534 1 20 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.774 -0.738 25856 7535 1 20 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.437 0.551 25856 7536 1 20 . 1 1 39 39 LYS H H 39 8.135 8.135 7.394 0.741 25856 7537 1 20 . 1 1 40 40 ILE N N 40 117.925 117.925 120.254 -2.329 25856 7538 1 20 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.677 0.353 25856 7539 1 20 . 1 1 40 40 ILE C C 40 176.736 176.736 177.889 -1.153 25856 7540 1 20 . 1 1 40 40 ILE CA C 40 61.757 61.757 64.821 -3.064 25856 7541 1 20 . 1 1 40 40 ILE CB C 40 37.802 37.802 37.899 -0.097 25856 7542 1 20 . 1 1 40 40 ILE H H 40 7.416 7.416 7.425 -0.009 25856 7543 1 20 . 1 1 41 41 ARG N N 41 122.141 122.141 120.192 1.949 25856 7544 1 20 . 1 1 41 41 ARG HA H 41 4.106 4.106 3.939 0.167 25856 7545 1 20 . 1 1 41 41 ARG C C 41 177.543 177.543 178.549 -1.006 25856 7546 1 20 . 1 1 41 41 ARG CA C 41 58.036 58.036 58.917 -0.881 25856 7547 1 20 . 1 1 41 41 ARG CB C 41 30.110 30.110 29.948 0.162 25856 7548 1 20 . 1 1 41 41 ARG H H 41 7.912 7.912 7.857 0.055 25856 7549 1 20 . 1 1 42 42 MET N N 42 118.223 118.223 116.406 1.817 25856 7550 1 20 . 1 1 42 42 MET HA H 42 4.281 4.281 4.113 0.168 25856 7551 1 20 . 1 1 42 42 MET C C 42 175.862 175.862 177.949 -2.087 25856 7552 1 20 . 1 1 42 42 MET CA C 42 56.299 56.299 56.151 0.148 25856 7553 1 20 . 1 1 42 42 MET CB C 42 32.465 32.465 32.095 0.370 25856 7554 1 20 . 1 1 42 42 MET H H 42 8.090 8.090 7.995 0.095 25856 7555 1 20 . 1 1 43 43 ASN N N 43 117.020 117.020 115.456 1.564 25856 7556 1 20 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.717 -0.095 25856 7557 1 20 . 1 1 43 43 ASN C C 43 174.616 174.616 175.068 -0.452 25856 7558 1 20 . 1 1 43 43 ASN CA C 43 53.276 53.276 53.640 -0.364 25856 7559 1 20 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.301 -0.470 25856 7560 1 20 . 1 1 43 43 ASN H H 43 7.843 7.843 7.948 -0.105 25856 7561 1 20 . 1 1 44 44 TYR N N 44 117.998 117.998 113.667 4.331 25856 7562 1 20 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.106 0.241 25856 7563 1 20 . 1 1 44 44 TYR C C 44 175.211 175.211 175.475 -0.264 25856 7564 1 20 . 1 1 44 44 TYR CA C 44 58.652 58.652 59.087 -0.435 25856 7565 1 20 . 1 1 44 44 TYR CB C 44 37.603 37.603 35.324 2.279 25856 7566 1 20 . 1 1 44 44 TYR H H 44 7.712 7.712 7.279 0.433 25856 7567 1 20 . 1 1 45 45 ILE N N 45 120.711 120.711 116.158 4.553 25856 7568 1 20 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.181 -0.238 25856 7569 1 20 . 1 1 45 45 ILE C C 45 173.895 173.895 175.451 -1.556 25856 7570 1 20 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.794 0.460 25856 7571 1 20 . 1 1 45 45 ILE CB C 45 38.574 38.574 36.015 2.559 25856 7572 1 20 . 1 1 45 45 ILE H H 45 7.466 7.466 7.369 0.097 25856 7573 1 20 . 1 1 46 46 ARG N N 46 124.912 124.912 126.355 -1.443 25856 7574 1 20 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.316 0.068 25856 7575 1 20 . 1 1 46 46 ARG C C 46 174.759 174.759 175.793 -1.034 25856 7576 1 20 . 1 1 46 46 ARG CA C 46 55.534 55.534 56.124 -0.591 25856 7577 1 20 . 1 1 46 46 ARG CB C 46 30.762 30.762 30.743 0.019 25856 7578 1 20 . 1 1 46 46 ARG H H 46 8.077 8.077 7.839 0.238 25856 7579 1 20 . 1 1 47 47 ILE N N 47 125.326 125.326 123.425 1.901 25856 7580 1 20 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.058 -0.034 25856 7581 1 20 . 1 1 47 47 ILE C C 47 173.922 173.922 176.103 -2.181 25856 7582 1 20 . 1 1 47 47 ILE CA C 47 60.862 60.862 60.323 0.539 25856 7583 1 20 . 1 1 47 47 ILE CB C 47 37.726 37.726 38.329 -0.603 25856 7584 1 20 . 1 1 47 47 ILE H H 47 7.966 7.966 8.337 -0.371 25856 7585 1 20 . 1 1 48 48 LEU N N 48 128.989 128.989 130.861 -1.872 25856 7586 1 20 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.906 -0.042 25856 7587 1 20 . 1 1 48 48 LEU C C 48 174.217 174.217 174.445 -0.228 25856 7588 1 20 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.410 0.305 25856 7589 1 20 . 1 1 48 48 LEU CB C 48 43.523 43.523 43.609 -0.086 25856 7590 1 20 . 1 1 48 48 LEU H H 48 8.765 8.765 8.265 0.500 25856 7591 1 20 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.303 -0.445 25856 7592 1 20 . 1 1 49 49 PRO C C 49 176.960 176.960 177.380 -0.420 25856 7593 1 20 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.183 -0.242 25856 7594 1 20 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.644 -0.388 25856 7595 1 20 . 1 1 50 50 GLY N N 50 114.638 114.638 115.227 -0.589 25856 7596 1 20 . 1 1 50 50 GLY C C 50 174.448 174.448 174.225 0.223 25856 7597 1 20 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.744 -0.037 25856 7598 1 20 . 1 1 50 50 GLY H H 50 9.317 9.317 9.091 0.226 25856 7599 1 20 . 1 1 51 51 ASP N N 51 121.882 121.882 121.886 -0.004 25856 7600 1 20 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.695 -0.162 25856 7601 1 20 . 1 1 51 51 ASP C C 51 175.327 175.327 174.777 0.550 25856 7602 1 20 . 1 1 51 51 ASP CA C 51 55.393 55.393 54.056 1.337 25856 7603 1 20 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.611 -1.414 25856 7604 1 20 . 1 1 51 51 ASP H H 51 8.099 8.099 7.970 0.129 25856 7605 1 20 . 1 1 52 52 LYS N N 52 121.338 121.338 121.162 0.176 25856 7606 1 20 . 1 1 52 52 LYS HA H 52 5.087 5.087 4.878 0.209 25856 7607 1 20 . 1 1 52 52 LYS C C 52 176.315 176.315 175.511 0.804 25856 7608 1 20 . 1 1 52 52 LYS CA C 52 54.652 54.652 54.457 0.195 25856 7609 1 20 . 1 1 52 52 LYS CB C 52 32.597 32.597 33.902 -1.305 25856 7610 1 20 . 1 1 52 52 LYS H H 52 8.410 8.410 8.565 -0.155 25856 7611 1 20 . 1 1 53 53 VAL N N 53 114.761 114.761 121.268 -6.507 25856 7612 1 20 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.824 0.426 25856 7613 1 20 . 1 1 53 53 VAL C C 53 174.278 174.278 174.249 0.029 25856 7614 1 20 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.495 -1.516 25856 7615 1 20 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.484 0.778 25856 7616 1 20 . 1 1 53 53 VAL H H 53 8.693 8.693 9.259 -0.566 25856 7617 1 20 . 1 1 54 54 THR N N 54 117.231 117.231 120.101 -2.870 25856 7618 1 20 . 1 1 54 54 THR HA H 54 4.837 4.837 4.958 -0.121 25856 7619 1 20 . 1 1 54 54 THR C C 54 173.923 173.923 173.044 0.879 25856 7620 1 20 . 1 1 54 54 THR CA C 54 62.448 62.448 62.503 -0.055 25856 7621 1 20 . 1 1 54 54 THR CB C 54 69.891 69.891 69.284 0.607 25856 7622 1 20 . 1 1 54 54 THR H H 54 8.296 8.296 8.898 -0.602 25856 7623 1 20 . 1 1 55 55 VAL N N 55 124.203 124.203 128.008 -3.805 25856 7624 1 20 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.824 0.008 25856 7625 1 20 . 1 1 55 55 VAL C C 55 174.106 174.106 173.704 0.402 25856 7626 1 20 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.225 0.326 25856 7627 1 20 . 1 1 55 55 VAL CB C 55 34.576 34.576 34.613 -0.037 25856 7628 1 20 . 1 1 55 55 VAL H H 55 9.331 9.331 9.213 0.118 25856 7629 1 20 . 1 1 56 56 GLU N N 56 123.984 123.984 130.014 -6.030 25856 7630 1 20 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.227 -0.007 25856 7631 1 20 . 1 1 56 56 GLU C C 56 176.645 176.645 175.791 0.854 25856 7632 1 20 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.347 -0.945 25856 7633 1 20 . 1 1 56 56 GLU CB C 56 32.700 32.700 31.120 1.580 25856 7634 1 20 . 1 1 56 56 GLU H H 56 9.143 9.143 9.108 0.035 25856 7635 1 20 . 1 1 57 57 MET N N 57 123.465 123.465 120.747 2.718 25856 7636 1 20 . 1 1 57 57 MET HA H 57 4.795 4.795 4.998 -0.203 25856 7637 1 20 . 1 1 57 57 MET C C 57 174.899 174.899 174.400 0.499 25856 7638 1 20 . 1 1 57 57 MET CA C 57 54.339 54.339 54.377 -0.038 25856 7639 1 20 . 1 1 57 57 MET CB C 57 36.252 36.252 37.067 -0.815 25856 7640 1 20 . 1 1 57 57 MET H H 57 9.173 9.173 9.300 -0.127 25856 7641 1 20 . 1 1 58 58 SER N N 58 117.390 117.390 118.242 -0.852 25856 7642 1 20 . 1 1 58 58 SER HA H 58 5.039 5.039 4.873 0.166 25856 7643 1 20 . 1 1 58 58 SER C C 58 174.693 174.693 174.627 0.066 25856 7644 1 20 . 1 1 58 58 SER CA C 58 54.932 54.932 56.798 -1.866 25856 7645 1 20 . 1 1 58 58 SER CB C 58 64.587 64.587 62.569 2.018 25856 7646 1 20 . 1 1 58 58 SER H H 58 9.184 9.184 8.610 0.574 25856 7647 1 20 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.330 -0.224 25856 7648 1 20 . 1 1 59 59 PRO C C 59 176.290 176.290 176.577 -0.287 25856 7649 1 20 . 1 1 59 59 PRO CA C 59 63.853 63.853 65.076 -1.223 25856 7650 1 20 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.662 0.104 25856 7651 1 20 . 1 1 60 60 TYR N N 60 113.938 113.938 115.946 -2.008 25856 7652 1 20 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.556 -0.067 25856 7653 1 20 . 1 1 60 60 TYR C C 60 175.439 175.439 174.763 0.676 25856 7654 1 20 . 1 1 60 60 TYR CA C 60 57.342 57.342 57.911 -0.569 25856 7655 1 20 . 1 1 60 60 TYR CB C 60 38.293 38.293 38.939 -0.646 25856 7656 1 20 . 1 1 60 60 TYR H H 60 7.307 7.307 8.052 -0.745 25856 7657 1 20 . 1 1 61 61 ASP N N 61 118.283 118.283 119.565 -1.282 25856 7658 1 20 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.533 0.234 25856 7659 1 20 . 1 1 61 61 ASP C C 61 174.996 174.996 176.581 -1.585 25856 7660 1 20 . 1 1 61 61 ASP CA C 61 53.842 53.842 55.658 -1.816 25856 7661 1 20 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.423 -1.001 25856 7662 1 20 . 1 1 61 61 ASP H H 61 7.418 7.418 8.016 -0.598 25856 7663 1 20 . 1 1 62 62 LEU N N 62 124.044 124.044 114.911 9.133 25856 7664 1 20 . 1 1 62 62 LEU HA H 62 4.487 4.487 4.002 0.485 25856 7665 1 20 . 1 1 62 62 LEU C C 62 177.109 177.109 176.364 0.745 25856 7666 1 20 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.973 -0.743 25856 7667 1 20 . 1 1 62 62 LEU CB C 62 40.930 40.930 40.226 0.704 25856 7668 1 20 . 1 1 62 62 LEU H H 62 8.743 8.743 8.615 0.128 25856 7669 1 20 . 1 1 63 63 THR N N 63 107.624 107.624 109.943 -2.319 25856 7670 1 20 . 1 1 63 63 THR HA H 63 4.608 4.608 4.529 0.079 25856 7671 1 20 . 1 1 63 63 THR C C 63 174.873 174.873 173.363 1.510 25856 7672 1 20 . 1 1 63 63 THR CA C 63 62.686 62.686 61.188 1.498 25856 7673 1 20 . 1 1 63 63 THR CB C 63 70.393 70.393 69.723 0.670 25856 7674 1 20 . 1 1 63 63 THR H H 63 8.415 8.415 8.207 0.208 25856 7675 1 20 . 1 1 64 64 ARG N N 64 120.138 120.138 119.500 0.638 25856 7676 1 20 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.822 -0.203 25856 7677 1 20 . 1 1 64 64 ARG C C 64 174.858 174.858 175.111 -0.253 25856 7678 1 20 . 1 1 64 64 ARG CA C 64 54.218 54.218 54.003 0.215 25856 7679 1 20 . 1 1 64 64 ARG CB C 64 34.526 34.526 34.593 -0.067 25856 7680 1 20 . 1 1 64 64 ARG H H 64 7.200 7.200 7.698 -0.498 25856 7681 1 20 . 1 1 65 65 GLY N N 65 106.034 106.034 106.966 -0.932 25856 7682 1 20 . 1 1 65 65 GLY C C 65 171.075 171.075 172.148 -1.073 25856 7683 1 20 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.407 -0.054 25856 7684 1 20 . 1 1 65 65 GLY H H 65 8.618 8.618 8.210 0.408 25856 7685 1 20 . 1 1 66 66 ARG N N 66 118.635 118.635 119.794 -1.159 25856 7686 1 20 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.604 -0.618 25856 7687 1 20 . 1 1 66 66 ARG C C 66 175.345 175.345 174.271 1.074 25856 7688 1 20 . 1 1 66 66 ARG CA C 66 53.691 53.691 53.972 -0.281 25856 7689 1 20 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.394 -0.983 25856 7690 1 20 . 1 1 66 66 ARG H H 66 8.621 8.621 8.798 -0.177 25856 7691 1 20 . 1 1 67 67 ILE N N 67 125.220 125.220 128.595 -3.375 25856 7692 1 20 . 1 1 67 67 ILE HA H 67 4.402 4.402 5.021 -0.619 25856 7693 1 20 . 1 1 67 67 ILE C C 67 176.084 176.084 176.180 -0.096 25856 7694 1 20 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.228 2.071 25856 7695 1 20 . 1 1 67 67 ILE CB C 67 39.359 39.359 39.679 -0.320 25856 7696 1 20 . 1 1 67 67 ILE H H 67 9.083 9.083 9.036 0.047 25856 7697 1 20 . 1 1 68 68 THR N N 68 117.584 117.584 120.079 -2.495 25856 7698 1 20 . 1 1 68 68 THR HA H 68 4.435 4.435 4.598 -0.163 25856 7699 1 20 . 1 1 68 68 THR C C 68 174.406 174.406 174.235 0.171 25856 7700 1 20 . 1 1 68 68 THR CA C 68 61.164 61.164 62.024 -0.860 25856 7701 1 20 . 1 1 68 68 THR CB C 68 69.514 69.514 70.513 -0.999 25856 7702 1 20 . 1 1 68 68 THR H H 68 8.691 8.691 8.390 0.301 25856 7703 1 20 . 1 1 69 69 TYR N N 69 120.904 120.904 122.759 -1.855 25856 7704 1 20 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.749 -0.396 25856 7705 1 20 . 1 1 69 69 TYR C C 69 172.657 172.657 173.198 -0.541 25856 7706 1 20 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.568 1.166 25856 7707 1 20 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.312 0.119 25856 7708 1 20 . 1 1 69 69 TYR H H 69 7.479 7.479 7.449 0.030 25856 7709 1 20 . 1 1 70 70 ARG N N 70 125.781 125.781 126.771 -0.990 25856 7710 1 20 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.506 0.185 25856 7711 1 20 . 1 1 70 70 ARG C C 70 174.016 174.016 173.683 0.333 25856 7712 1 20 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.309 0.352 25856 7713 1 20 . 1 1 70 70 ARG CB C 70 31.816 31.816 31.553 0.263 25856 7714 1 20 . 1 1 70 70 ARG H H 70 7.439 7.439 8.054 -0.615 25856 7715 1 20 . 1 1 71 71 TYR N N 71 124.942 124.942 124.805 0.137 25856 7716 1 20 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.374 -0.123 25856 7717 1 20 . 1 1 71 71 TYR C C 71 175.278 175.278 173.634 1.644 25856 7718 1 20 . 1 1 71 71 TYR CA C 71 58.445 58.445 57.368 1.077 25856 7719 1 20 . 1 1 71 71 TYR CB C 71 38.803 38.803 40.742 -1.939 25856 7720 1 20 . 1 1 71 71 TYR H H 71 8.478 8.478 8.934 -0.456 25856 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 64 2.999 0.425 2.992 25856 2 1 1 "Average Difference" HA 72 0.313 -0.015 0.315 25856 3 1 1 "Average Difference" C 67 0.889 0.173 0.878 25856 4 1 1 "Average Difference" CA 67 0.943 -0.007 0.950 25856 5 1 1 "Average Difference" CB 62 1.010 -0.070 1.016 25856 6 1 1 "Average Difference" HN 64 0.533 0.129 0.521 25856 7 1 2 "Average Difference" N 64 3.223 0.749 3.159 25856 8 1 2 "Average Difference" HA 72 0.301 -0.000 0.303 25856 9 1 2 "Average Difference" C 67 0.853 0.051 0.858 25856 10 1 2 "Average Difference" CA 67 0.928 -0.054 0.933 25856 11 1 2 "Average Difference" CB 62 1.052 0.044 1.060 25856 12 1 2 "Average Difference" HN 64 0.500 0.104 0.493 25856 13 1 3 "Average Difference" N 64 3.064 0.645 3.019 25856 14 1 3 "Average Difference" HA 72 0.309 -0.036 0.309 25856 15 1 3 "Average Difference" C 67 0.808 0.098 0.808 25856 16 1 3 "Average Difference" CA 67 0.986 0.034 0.993 25856 17 1 3 "Average Difference" CB 62 1.097 0.022 1.105 25856 18 1 3 "Average Difference" HN 64 0.483 0.114 0.473 25856 19 1 4 "Average Difference" N 64 2.966 0.535 2.941 25856 20 1 4 "Average Difference" HA 72 0.297 -0.044 0.296 25856 21 1 4 "Average Difference" C 67 0.826 0.116 0.824 25856 22 1 4 "Average Difference" CA 67 0.863 -0.047 0.869 25856 23 1 4 "Average Difference" CB 62 1.062 -0.002 1.070 25856 24 1 4 "Average Difference" HN 64 0.475 0.060 0.475 25856 25 1 5 "Average Difference" N 64 3.039 0.538 3.014 25856 26 1 5 "Average Difference" HA 72 0.291 -0.042 0.290 25856 27 1 5 "Average Difference" C 67 0.848 0.125 0.845 25856 28 1 5 "Average Difference" CA 67 0.846 0.059 0.850 25856 29 1 5 "Average Difference" CB 62 1.135 -0.033 1.144 25856 30 1 5 "Average Difference" HN 64 0.497 0.136 0.481 25856 31 1 6 "Average Difference" N 64 3.087 0.158 3.107 25856 32 1 6 "Average Difference" HA 72 0.300 -0.048 0.298 25856 33 1 6 "Average Difference" C 67 0.846 0.127 0.843 25856 34 1 6 "Average Difference" CA 67 0.847 0.023 0.853 25856 35 1 6 "Average Difference" CB 62 1.041 -0.063 1.048 25856 36 1 6 "Average Difference" HN 64 0.494 0.059 0.495 25856 37 1 7 "Average Difference" N 64 2.971 0.457 2.959 25856 38 1 7 "Average Difference" HA 72 0.298 -0.029 0.299 25856 39 1 7 "Average Difference" C 67 0.812 0.145 0.805 25856 40 1 7 "Average Difference" CA 67 0.972 0.007 0.979 25856 41 1 7 "Average Difference" CB 62 1.161 0.046 1.170 25856 42 1 7 "Average Difference" HN 64 0.516 0.025 0.519 25856 43 1 8 "Average Difference" N 64 2.826 0.109 2.846 25856 44 1 8 "Average Difference" HA 72 0.335 -0.026 0.337 25856 45 1 8 "Average Difference" C 67 0.872 0.194 0.857 25856 46 1 8 "Average Difference" CA 67 0.938 0.015 0.945 25856 47 1 8 "Average Difference" CB 62 1.159 -0.199 1.151 25856 48 1 8 "Average Difference" HN 64 0.505 0.027 0.508 25856 49 1 9 "Average Difference" N 64 2.957 0.355 2.959 25856 50 1 9 "Average Difference" HA 72 0.314 -0.030 0.315 25856 51 1 9 "Average Difference" C 67 0.806 0.089 0.807 25856 52 1 9 "Average Difference" CA 67 0.993 -0.057 0.998 25856 53 1 9 "Average Difference" CB 62 1.115 0.009 1.124 25856 54 1 9 "Average Difference" HN 64 0.490 0.059 0.491 25856 55 1 10 "Average Difference" N 64 2.743 0.323 2.746 25856 56 1 10 "Average Difference" HA 72 0.316 0.010 0.318 25856 57 1 10 "Average Difference" C 67 0.841 0.050 0.846 25856 58 1 10 "Average Difference" CA 67 0.949 -0.040 0.955 25856 59 1 10 "Average Difference" CB 62 1.220 0.129 1.223 25856 60 1 10 "Average Difference" HN 64 0.480 0.099 0.473 25856 61 1 11 "Average Difference" N 64 3.031 0.483 3.016 25856 62 1 11 "Average Difference" HA 72 0.324 0.016 0.326 25856 63 1 11 "Average Difference" C 67 0.895 0.121 0.894 25856 64 1 11 "Average Difference" CA 67 1.090 -0.069 1.096 25856 65 1 11 "Average Difference" CB 62 0.968 -0.023 0.976 25856 66 1 11 "Average Difference" HN 64 0.479 0.082 0.476 25856 67 1 12 "Average Difference" N 64 3.111 0.160 3.132 25856 68 1 12 "Average Difference" HA 72 0.309 -0.052 0.306 25856 69 1 12 "Average Difference" C 67 0.851 0.183 0.837 25856 70 1 12 "Average Difference" CA 67 0.916 0.030 0.922 25856 71 1 12 "Average Difference" CB 62 1.075 -0.085 1.081 25856 72 1 12 "Average Difference" HN 64 0.499 0.131 0.485 25856 73 1 13 "Average Difference" N 64 3.039 0.722 2.975 25856 74 1 13 "Average Difference" HA 72 0.297 -0.030 0.298 25856 75 1 13 "Average Difference" C 67 0.828 0.000 0.835 25856 76 1 13 "Average Difference" CA 67 0.948 0.008 0.955 25856 77 1 13 "Average Difference" CB 62 1.019 0.042 1.026 25856 78 1 13 "Average Difference" HN 64 0.514 0.109 0.506 25856 79 1 14 "Average Difference" N 64 3.127 0.523 3.108 25856 80 1 14 "Average Difference" HA 72 0.302 -0.020 0.303 25856 81 1 14 "Average Difference" C 67 0.726 0.141 0.718 25856 82 1 14 "Average Difference" CA 67 0.899 0.020 0.906 25856 83 1 14 "Average Difference" CB 62 1.067 -0.054 1.074 25856 84 1 14 "Average Difference" HN 64 0.514 0.068 0.513 25856 85 1 15 "Average Difference" N 64 3.179 0.557 3.155 25856 86 1 15 "Average Difference" HA 72 0.312 -0.012 0.314 25856 87 1 15 "Average Difference" C 67 0.850 0.012 0.856 25856 88 1 15 "Average Difference" CA 67 1.064 -0.079 1.069 25856 89 1 15 "Average Difference" CB 62 1.049 -0.039 1.057 25856 90 1 15 "Average Difference" HN 64 0.510 0.100 0.504 25856 91 1 16 "Average Difference" N 64 3.172 0.298 3.182 25856 92 1 16 "Average Difference" HA 72 0.301 -0.024 0.302 25856 93 1 16 "Average Difference" C 67 0.820 0.125 0.816 25856 94 1 16 "Average Difference" CA 67 0.924 0.018 0.931 25856 95 1 16 "Average Difference" CB 62 1.205 -0.104 1.210 25856 96 1 16 "Average Difference" HN 64 0.530 0.092 0.526 25856 97 1 17 "Average Difference" N 64 3.003 0.175 3.022 25856 98 1 17 "Average Difference" HA 72 0.280 -0.052 0.277 25856 99 1 17 "Average Difference" C 67 0.820 0.129 0.816 25856 100 1 17 "Average Difference" CA 67 0.865 0.049 0.870 25856 101 1 17 "Average Difference" CB 62 1.113 -0.078 1.119 25856 102 1 17 "Average Difference" HN 64 0.476 0.032 0.478 25856 103 1 18 "Average Difference" N 64 3.198 0.044 3.223 25856 104 1 18 "Average Difference" HA 72 0.318 -0.046 0.317 25856 105 1 18 "Average Difference" C 67 0.793 0.203 0.773 25856 106 1 18 "Average Difference" CA 67 1.060 0.015 1.068 25856 107 1 18 "Average Difference" CB 62 1.118 -0.163 1.115 25856 108 1 18 "Average Difference" HN 64 0.513 0.032 0.516 25856 109 1 19 "Average Difference" N 64 2.840 0.385 2.836 25856 110 1 19 "Average Difference" HA 72 0.278 -0.027 0.279 25856 111 1 19 "Average Difference" C 67 0.869 0.162 0.860 25856 112 1 19 "Average Difference" CA 67 0.881 0.062 0.885 25856 113 1 19 "Average Difference" CB 62 0.990 -0.007 0.998 25856 114 1 19 "Average Difference" HN 64 0.509 0.077 0.507 25856 115 1 20 "Average Difference" N 64 3.128 0.242 3.143 25856 116 1 20 "Average Difference" HA 72 0.297 -0.039 0.297 25856 117 1 20 "Average Difference" C 67 0.911 0.124 0.909 25856 118 1 20 "Average Difference" CA 67 0.962 0.027 0.969 25856 119 1 20 "Average Difference" CB 62 1.118 -0.107 1.122 25856 120 1 20 "Average Difference" HN 64 0.483 0.051 0.484 25856 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 25856 _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 5 5 ASP N N 5 121.636 121.636 120.082 1.554 25856 2 1 . 1 1 5 5 ASP HA H 5 4.581 4.581 4.562 0.019 25856 3 1 . 1 1 5 5 ASP C C 5 175.317 175.317 175.541 -0.224 25856 4 1 . 1 1 5 5 ASP CA C 5 54.687 54.687 55.308 -0.621 25856 5 1 . 1 1 5 5 ASP CB C 5 41.260 41.260 41.285 -0.025 25856 6 1 . 1 1 5 5 ASP H H 5 8.370 8.370 8.401 -0.031 25856 7 1 . 1 1 6 6 VAL N N 6 116.054 116.054 118.502 -2.448 25856 8 1 . 1 1 6 6 VAL HA H 6 4.555 4.555 4.298 0.257 25856 9 1 . 1 1 6 6 VAL C C 6 174.969 174.969 174.725 0.244 25856 10 1 . 1 1 6 6 VAL CA C 6 60.949 60.949 60.822 0.127 25856 11 1 . 1 1 6 6 VAL CB C 6 35.032 35.032 34.708 0.324 25856 12 1 . 1 1 6 6 VAL H H 6 7.702 7.702 7.679 0.023 25856 13 1 . 1 1 7 7 ILE N N 7 123.240 123.240 124.719 -1.479 25856 14 1 . 1 1 7 7 ILE HA H 7 4.382 4.382 4.440 -0.058 25856 15 1 . 1 1 7 7 ILE C C 7 174.177 174.177 174.719 -0.543 25856 16 1 . 1 1 7 7 ILE CA C 7 60.100 60.100 59.470 0.630 25856 17 1 . 1 1 7 7 ILE CB C 7 40.712 40.712 39.472 1.240 25856 18 1 . 1 1 7 7 ILE H H 7 8.748 8.748 9.005 -0.257 25856 19 1 . 1 1 8 8 GLU N N 8 124.266 124.266 127.084 -2.818 25856 20 1 . 1 1 8 8 GLU HA H 8 5.350 5.350 5.204 0.146 25856 21 1 . 1 1 8 8 GLU C C 8 175.592 175.592 175.433 0.159 25856 22 1 . 1 1 8 8 GLU CA C 8 54.724 54.724 55.243 -0.519 25856 23 1 . 1 1 8 8 GLU CB C 8 33.510 33.510 30.675 2.835 25856 24 1 . 1 1 8 8 GLU H H 8 8.236 8.236 8.642 -0.406 25856 25 1 . 1 1 9 9 LEU N N 9 125.462 125.462 125.137 0.325 25856 26 1 . 1 1 9 9 LEU HA H 9 4.777 4.777 4.811 -0.034 25856 27 1 . 1 1 9 9 LEU C C 9 174.654 174.654 175.634 -0.980 25856 28 1 . 1 1 9 9 LEU CA C 9 53.872 53.872 53.367 0.505 25856 29 1 . 1 1 9 9 LEU CB C 9 47.173 47.173 46.301 0.872 25856 30 1 . 1 1 9 9 LEU H H 9 8.947 8.947 9.046 -0.099 25856 31 1 . 1 1 10 10 GLU N N 10 119.884 119.884 119.254 0.630 25856 32 1 . 1 1 10 10 GLU HA H 10 5.176 5.176 5.413 -0.237 25856 33 1 . 1 1 10 10 GLU C C 10 176.424 176.424 175.977 0.447 25856 34 1 . 1 1 10 10 GLU CA C 10 55.272 55.272 54.727 0.545 25856 35 1 . 1 1 10 10 GLU CB C 10 31.815 31.815 32.885 -1.070 25856 36 1 . 1 1 10 10 GLU H H 10 8.697 8.697 8.716 -0.019 25856 37 1 . 1 1 11 11 GLY N N 11 107.302 107.302 108.918 -1.616 25856 38 1 . 1 1 11 11 GLY C C 11 171.493 171.493 172.497 -1.004 25856 39 1 . 1 1 11 11 GLY CA C 11 45.682 45.682 45.026 0.656 25856 40 1 . 1 1 11 11 GLY H H 11 8.896 8.896 8.645 0.251 25856 41 1 . 1 1 12 12 THR N N 12 115.723 115.723 116.844 -1.121 25856 42 1 . 1 1 12 12 THR HA H 12 5.057 5.057 5.123 -0.066 25856 43 1 . 1 1 12 12 THR C C 12 174.347 174.347 173.569 0.778 25856 44 1 . 1 1 12 12 THR CA C 12 61.226 61.226 61.823 -0.597 25856 45 1 . 1 1 12 12 THR CB C 12 71.245 71.245 71.109 0.136 25856 46 1 . 1 1 12 12 THR H H 12 8.551 8.551 8.935 -0.384 25856 47 1 . 1 1 13 13 VAL N N 13 127.141 127.141 127.195 -0.054 25856 48 1 . 1 1 13 13 VAL HA H 13 3.800 3.800 4.370 -0.570 25856 49 1 . 1 1 13 13 VAL C C 13 175.760 175.760 174.428 1.332 25856 50 1 . 1 1 13 13 VAL CA C 13 64.518 64.518 61.130 3.388 25856 51 1 . 1 1 13 13 VAL CB C 13 31.555 31.555 32.971 -1.415 25856 52 1 . 1 1 13 13 VAL H H 13 9.135 9.135 8.774 0.361 25856 53 1 . 1 1 14 14 LEU N N 14 129.942 129.942 129.006 0.935 25856 54 1 . 1 1 14 14 LEU HA H 14 4.550 4.550 4.588 -0.038 25856 55 1 . 1 1 14 14 LEU C C 14 176.277 176.277 176.869 -0.592 25856 56 1 . 1 1 14 14 LEU CA C 14 55.675 55.675 55.794 -0.119 25856 57 1 . 1 1 14 14 LEU CB C 14 44.004 44.004 42.951 1.052 25856 58 1 . 1 1 14 14 LEU H H 14 9.536 9.536 8.622 0.914 25856 59 1 . 1 1 15 15 ASP N N 15 113.621 113.621 118.457 -4.836 25856 60 1 . 1 1 15 15 ASP HA H 15 4.978 4.978 4.973 0.005 25856 61 1 . 1 1 15 15 ASP C C 15 174.864 174.864 174.789 0.075 25856 62 1 . 1 1 15 15 ASP CA C 15 53.317 53.317 53.147 0.170 25856 63 1 . 1 1 15 15 ASP CB C 15 44.770 44.770 44.120 0.650 25856 64 1 . 1 1 15 15 ASP H H 15 7.609 7.609 7.784 -0.175 25856 65 1 . 1 1 16 16 THR N N 16 115.901 115.901 113.150 2.751 25856 66 1 . 1 1 16 16 THR HA H 16 4.298 4.298 4.438 -0.140 25856 67 1 . 1 1 16 16 THR C C 16 172.704 172.704 173.817 -1.113 25856 68 1 . 1 1 16 16 THR CA C 16 60.251 60.251 61.476 -1.225 25856 69 1 . 1 1 16 16 THR CB C 16 69.494 69.494 69.306 0.188 25856 70 1 . 1 1 16 16 THR H H 16 8.841 8.841 8.312 0.529 25856 71 1 . 1 1 17 17 LEU N N 17 125.747 125.747 125.727 0.020 25856 72 1 . 1 1 17 17 LEU HA H 17 4.683 4.683 4.771 -0.088 25856 73 1 . 1 1 17 17 LEU C C 17 174.509 174.509 175.192 -0.683 25856 74 1 . 1 1 17 17 LEU CA C 17 52.794 52.794 51.341 1.453 25856 75 1 . 1 1 17 17 LEU CB C 17 42.581 42.581 42.541 0.040 25856 76 1 . 1 1 17 17 LEU H H 17 7.913 7.913 7.907 0.006 25856 77 1 . 1 1 18 18 PRO HA H 18 4.324 4.324 4.261 0.063 25856 78 1 . 1 1 18 18 PRO C C 18 175.973 175.973 176.616 -0.643 25856 79 1 . 1 1 18 18 PRO CA C 18 63.149 63.149 63.318 -0.169 25856 80 1 . 1 1 18 18 PRO CB C 18 32.228 32.228 32.020 0.208 25856 81 1 . 1 1 19 19 ASN N N 19 115.147 115.147 118.051 -2.904 25856 82 1 . 1 1 19 19 ASN HA H 19 4.231 4.231 4.319 -0.088 25856 83 1 . 1 1 19 19 ASN C C 19 174.180 174.180 174.828 -0.648 25856 84 1 . 1 1 19 19 ASN CA C 19 54.099 54.099 53.561 0.538 25856 85 1 . 1 1 19 19 ASN CB C 19 36.910 36.910 37.530 -0.620 25856 86 1 . 1 1 19 19 ASN H H 19 8.598 8.598 8.771 -0.173 25856 87 1 . 1 1 20 20 ALA N N 20 116.191 116.191 114.437 1.754 25856 88 1 . 1 1 20 20 ALA HA H 20 3.801 3.801 3.643 0.158 25856 89 1 . 1 1 20 20 ALA C C 20 174.990 174.990 175.370 -0.380 25856 90 1 . 1 1 20 20 ALA CA C 20 52.956 52.956 53.048 -0.092 25856 91 1 . 1 1 20 20 ALA CB C 20 16.543 16.543 17.689 -1.146 25856 92 1 . 1 1 20 20 ALA H H 20 8.335 8.335 8.149 0.186 25856 93 1 . 1 1 21 21 MET N N 21 113.560 113.560 116.703 -3.143 25856 94 1 . 1 1 21 21 MET HA H 21 5.124 5.124 5.131 -0.007 25856 95 1 . 1 1 21 21 MET C C 21 175.205 175.205 174.701 0.504 25856 96 1 . 1 1 21 21 MET CA C 21 54.597 54.597 54.235 0.362 25856 97 1 . 1 1 21 21 MET CB C 21 35.150 35.150 35.208 -0.058 25856 98 1 . 1 1 21 21 MET H H 21 6.302 6.302 7.071 -0.769 25856 99 1 . 1 1 22 22 PHE N N 22 117.199 117.199 119.352 -2.153 25856 100 1 . 1 1 22 22 PHE HA H 22 4.918 4.918 4.857 0.061 25856 101 1 . 1 1 22 22 PHE C C 22 174.697 174.697 173.943 0.754 25856 102 1 . 1 1 22 22 PHE CA C 22 57.132 57.132 57.012 0.120 25856 103 1 . 1 1 22 22 PHE CB C 22 43.134 43.134 43.614 -0.480 25856 104 1 . 1 1 22 22 PHE H H 22 9.007 9.007 9.324 -0.317 25856 105 1 . 1 1 23 23 LYS N N 23 122.934 122.934 124.503 -1.569 25856 106 1 . 1 1 23 23 LYS HA H 23 5.117 5.117 4.977 0.140 25856 107 1 . 1 1 23 23 LYS C C 23 175.853 175.853 174.932 0.921 25856 108 1 . 1 1 23 23 LYS CA C 23 55.596 55.596 55.634 -0.038 25856 109 1 . 1 1 23 23 LYS CB C 23 34.022 34.022 33.327 0.695 25856 110 1 . 1 1 23 23 LYS H H 23 8.340 8.340 8.764 -0.424 25856 111 1 . 1 1 24 24 VAL N N 24 128.487 128.487 126.579 1.908 25856 112 1 . 1 1 24 24 VAL HA H 24 4.641 4.641 4.549 0.092 25856 113 1 . 1 1 24 24 VAL C C 24 173.199 173.199 174.357 -1.158 25856 114 1 . 1 1 24 24 VAL CA C 24 60.705 60.705 60.760 -0.055 25856 115 1 . 1 1 24 24 VAL CB C 24 35.609 35.609 34.506 1.103 25856 116 1 . 1 1 24 24 VAL H H 24 9.123 9.123 8.954 0.169 25856 117 1 . 1 1 25 25 GLU N N 25 127.440 127.440 125.368 2.072 25856 118 1 . 1 1 25 25 GLU HA H 25 4.713 4.713 5.152 -0.439 25856 119 1 . 1 1 25 25 GLU C C 25 176.358 176.358 176.016 0.342 25856 120 1 . 1 1 25 25 GLU CA C 25 54.907 54.907 54.427 0.481 25856 121 1 . 1 1 25 25 GLU CB C 25 31.639 31.639 31.961 -0.322 25856 122 1 . 1 1 25 25 GLU H H 25 9.017 9.017 9.002 0.015 25856 123 1 . 1 1 26 26 LEU N N 26 128.629 128.629 126.017 2.612 25856 124 1 . 1 1 26 26 LEU HA H 26 4.804 4.804 4.372 0.432 25856 125 1 . 1 1 26 26 LEU C C 26 179.339 179.339 178.688 0.651 25856 126 1 . 1 1 26 26 LEU CA C 26 54.822 54.822 55.504 -0.682 25856 127 1 . 1 1 26 26 LEU CB C 26 43.568 43.568 42.509 1.059 25856 128 1 . 1 1 26 26 LEU H H 26 9.101 9.101 9.079 0.022 25856 129 1 . 1 1 27 27 GLU N N 27 119.613 119.613 121.715 -2.102 25856 130 1 . 1 1 27 27 GLU HA H 27 4.162 4.162 4.061 0.101 25856 131 1 . 1 1 27 27 GLU C C 27 175.724 175.724 177.502 -1.778 25856 132 1 . 1 1 27 27 GLU CA C 27 58.389 58.389 59.030 -0.641 25856 133 1 . 1 1 27 27 GLU CB C 27 29.682 29.682 29.126 0.556 25856 134 1 . 1 1 27 27 GLU H H 27 8.794 8.794 8.711 0.083 25856 135 1 . 1 1 28 28 ASN N N 28 114.625 114.625 116.720 -2.095 25856 136 1 . 1 1 28 28 ASN HA H 28 4.611 4.611 4.693 -0.082 25856 137 1 . 1 1 28 28 ASN C C 28 176.299 176.299 176.130 0.169 25856 138 1 . 1 1 28 28 ASN CA C 28 52.481 52.481 53.110 -0.629 25856 139 1 . 1 1 28 28 ASN CB C 28 37.706 37.706 38.825 -1.119 25856 140 1 . 1 1 28 28 ASN H H 28 7.183 7.183 7.945 -0.762 25856 141 1 . 1 1 29 29 GLY N N 29 107.903 107.903 107.404 0.499 25856 142 1 . 1 1 29 29 GLY C C 29 174.243 174.243 173.569 0.674 25856 143 1 . 1 1 29 29 GLY CA C 29 45.307 45.307 45.403 -0.096 25856 144 1 . 1 1 29 29 GLY H H 29 6.899 6.899 8.047 -1.148 25856 145 1 . 1 1 30 30 HIS N N 30 118.953 118.953 119.845 -0.892 25856 146 1 . 1 1 30 30 HIS HA H 30 4.664 4.664 4.759 -0.095 25856 147 1 . 1 1 30 30 HIS C C 30 173.476 173.476 173.697 -0.221 25856 148 1 . 1 1 30 30 HIS CA C 30 55.947 55.947 55.053 0.894 25856 149 1 . 1 1 30 30 HIS CB C 30 30.161 30.161 31.540 -1.379 25856 150 1 . 1 1 30 30 HIS H H 30 7.739 7.739 7.952 -0.213 25856 151 1 . 1 1 31 31 GLU N N 31 123.512 123.512 124.228 -0.716 25856 152 1 . 1 1 31 31 GLU HA H 31 5.241 5.241 4.959 0.282 25856 153 1 . 1 1 31 31 GLU C C 31 176.181 176.181 175.356 0.825 25856 154 1 . 1 1 31 31 GLU CA C 31 55.088 55.088 55.094 -0.006 25856 155 1 . 1 1 31 31 GLU CB C 31 31.883 31.883 30.702 1.181 25856 156 1 . 1 1 31 31 GLU H H 31 8.495 8.495 8.338 0.157 25856 157 1 . 1 1 32 32 ILE N N 32 117.654 117.654 116.276 1.378 25856 158 1 . 1 1 32 32 ILE HA H 32 4.714 4.714 4.960 -0.246 25856 159 1 . 1 1 32 32 ILE C C 32 174.438 174.438 173.972 0.466 25856 160 1 . 1 1 32 32 ILE CA C 32 59.190 59.190 59.306 -0.116 25856 161 1 . 1 1 32 32 ILE CB C 32 43.234 43.234 41.948 1.286 25856 162 1 . 1 1 32 32 ILE H H 32 9.005 9.005 8.994 0.011 25856 163 1 . 1 1 33 33 LEU N N 33 122.166 122.166 123.665 -1.499 25856 164 1 . 1 1 33 33 LEU HA H 33 5.217 5.217 5.198 0.019 25856 165 1 . 1 1 33 33 LEU C C 33 176.190 176.190 176.018 0.172 25856 166 1 . 1 1 33 33 LEU CA C 33 53.843 53.843 53.529 0.314 25856 167 1 . 1 1 33 33 LEU CB C 33 43.758 43.758 43.110 0.648 25856 168 1 . 1 1 33 33 LEU H H 33 7.713 7.713 8.366 -0.653 25856 169 1 . 1 1 34 34 ALA N N 34 125.096 125.096 125.813 -0.717 25856 170 1 . 1 1 34 34 ALA HA H 34 5.492 5.492 5.345 0.147 25856 171 1 . 1 1 34 34 ALA C C 34 175.700 175.700 175.321 0.379 25856 172 1 . 1 1 34 34 ALA CA C 34 50.257 50.257 50.108 0.149 25856 173 1 . 1 1 34 34 ALA CB C 34 23.151 23.151 23.063 0.088 25856 174 1 . 1 1 34 34 ALA H H 34 9.442 9.442 9.178 0.264 25856 175 1 . 1 1 35 35 HIS N N 35 117.670 117.670 120.252 -2.582 25856 176 1 . 1 1 35 35 HIS HA H 35 5.508 5.508 5.544 -0.036 25856 177 1 . 1 1 35 35 HIS C C 35 174.787 174.787 175.308 -0.521 25856 178 1 . 1 1 35 35 HIS CA C 35 54.429 54.429 54.842 -0.413 25856 179 1 . 1 1 35 35 HIS CB C 35 33.178 33.178 33.577 -0.399 25856 180 1 . 1 1 35 35 HIS H H 35 7.751 7.751 8.701 -0.950 25856 181 1 . 1 1 36 36 VAL N N 36 119.236 119.236 121.621 -2.385 25856 182 1 . 1 1 36 36 VAL HA H 36 4.402 4.402 4.424 -0.022 25856 183 1 . 1 1 36 36 VAL C C 36 175.551 175.551 175.840 -0.289 25856 184 1 . 1 1 36 36 VAL CA C 36 62.333 62.333 61.274 1.059 25856 185 1 . 1 1 36 36 VAL CB C 36 33.389 33.389 32.793 0.596 25856 186 1 . 1 1 36 36 VAL H H 36 9.217 9.217 7.905 1.312 25856 187 1 . 1 1 37 37 SER N N 37 119.884 119.884 119.011 0.872 25856 188 1 . 1 1 37 37 SER HA H 37 4.425 4.425 4.444 -0.019 25856 189 1 . 1 1 37 37 SER C C 37 175.003 175.003 176.146 -1.143 25856 190 1 . 1 1 37 37 SER CA C 37 57.971 57.971 58.497 -0.526 25856 191 1 . 1 1 37 37 SER CB C 37 64.761 64.761 64.456 0.305 25856 192 1 . 1 1 37 37 SER H H 37 8.375 8.375 8.357 0.018 25856 193 1 . 1 1 38 38 GLY N N 38 122.166 122.166 108.942 13.224 25856 194 1 . 1 1 38 38 GLY C C 38 175.253 175.253 176.040 -0.787 25856 195 1 . 1 1 38 38 GLY CA C 38 46.755 46.755 46.806 -0.051 25856 196 1 . 1 1 38 38 GLY H H 38 8.822 8.822 8.964 -0.142 25856 197 1 . 1 1 39 39 LYS N N 39 120.070 120.070 121.575 -1.505 25856 198 1 . 1 1 39 39 LYS HA H 39 4.057 4.057 4.137 -0.080 25856 199 1 . 1 1 39 39 LYS C C 39 177.734 177.734 178.363 -0.629 25856 200 1 . 1 1 39 39 LYS CA C 39 58.036 58.036 58.784 -0.748 25856 201 1 . 1 1 39 39 LYS CB C 39 32.988 32.988 32.457 0.531 25856 202 1 . 1 1 39 39 LYS H H 39 8.135 8.135 7.486 0.649 25856 203 1 . 1 1 40 40 ILE N N 40 117.925 117.925 119.136 -1.211 25856 204 1 . 1 1 40 40 ILE HA H 40 4.030 4.030 3.945 0.085 25856 205 1 . 1 1 40 40 ILE C C 40 176.736 176.736 177.661 -0.925 25856 206 1 . 1 1 40 40 ILE CA C 40 61.757 61.757 63.849 -2.092 25856 207 1 . 1 1 40 40 ILE CB C 40 37.802 37.802 38.007 -0.205 25856 208 1 . 1 1 40 40 ILE H H 40 7.416 7.416 7.631 -0.215 25856 209 1 . 1 1 41 41 ARG N N 41 122.141 122.141 120.298 1.843 25856 210 1 . 1 1 41 41 ARG HA H 41 4.106 4.106 4.083 0.023 25856 211 1 . 1 1 41 41 ARG C C 41 177.543 177.543 178.265 -0.722 25856 212 1 . 1 1 41 41 ARG CA C 41 58.036 58.036 59.070 -1.034 25856 213 1 . 1 1 41 41 ARG CB C 41 30.110 30.110 30.327 -0.217 25856 214 1 . 1 1 41 41 ARG H H 41 7.912 7.912 7.770 0.143 25856 215 1 . 1 1 42 42 MET N N 42 118.223 118.223 116.339 1.884 25856 216 1 . 1 1 42 42 MET HA H 42 4.281 4.281 4.291 -0.010 25856 217 1 . 1 1 42 42 MET C C 42 175.862 175.862 177.083 -1.221 25856 218 1 . 1 1 42 42 MET CA C 42 56.299 56.299 57.137 -0.838 25856 219 1 . 1 1 42 42 MET CB C 42 32.465 32.465 32.841 -0.376 25856 220 1 . 1 1 42 42 MET H H 42 8.090 8.090 7.930 0.160 25856 221 1 . 1 1 43 43 ASN N N 43 117.020 117.020 116.779 0.241 25856 222 1 . 1 1 43 43 ASN HA H 43 4.622 4.622 4.754 -0.132 25856 223 1 . 1 1 43 43 ASN C C 43 174.616 174.616 174.922 -0.306 25856 224 1 . 1 1 43 43 ASN CA C 43 53.276 53.276 52.666 0.610 25856 225 1 . 1 1 43 43 ASN CB C 43 38.831 38.831 39.938 -1.107 25856 226 1 . 1 1 43 43 ASN H H 43 7.843 7.843 7.730 0.113 25856 227 1 . 1 1 44 44 TYR N N 44 117.998 117.998 118.757 -0.759 25856 228 1 . 1 1 44 44 TYR HA H 44 4.347 4.347 4.462 -0.115 25856 229 1 . 1 1 44 44 TYR C C 44 175.211 175.211 176.067 -0.856 25856 230 1 . 1 1 44 44 TYR CA C 44 58.652 58.652 58.499 0.153 25856 231 1 . 1 1 44 44 TYR CB C 44 37.603 37.603 37.209 0.394 25856 232 1 . 1 1 44 44 TYR H H 44 7.712 7.712 8.413 -0.701 25856 233 1 . 1 1 45 45 ILE N N 45 120.711 120.711 118.921 1.790 25856 234 1 . 1 1 45 45 ILE HA H 45 3.943 3.943 4.196 -0.253 25856 235 1 . 1 1 45 45 ILE C C 45 173.895 173.895 175.294 -1.399 25856 236 1 . 1 1 45 45 ILE CA C 45 61.254 61.254 60.393 0.861 25856 237 1 . 1 1 45 45 ILE CB C 45 38.574 38.574 36.658 1.916 25856 238 1 . 1 1 45 45 ILE H H 45 7.466 7.466 7.700 -0.234 25856 239 1 . 1 1 46 46 ARG N N 46 124.912 124.912 123.839 1.073 25856 240 1 . 1 1 46 46 ARG HA H 46 4.384 4.384 4.347 0.037 25856 241 1 . 1 1 46 46 ARG C C 46 174.759 174.759 175.642 -0.883 25856 242 1 . 1 1 46 46 ARG CA C 46 55.534 55.534 55.471 0.064 25856 243 1 . 1 1 46 46 ARG CB C 46 30.762 30.762 31.172 -0.410 25856 244 1 . 1 1 46 46 ARG H H 46 8.077 8.077 8.008 0.069 25856 245 1 . 1 1 47 47 ILE N N 47 125.326 125.326 123.097 2.229 25856 246 1 . 1 1 47 47 ILE HA H 47 4.024 4.024 4.089 -0.065 25856 247 1 . 1 1 47 47 ILE C C 47 173.922 173.922 175.428 -1.506 25856 248 1 . 1 1 47 47 ILE CA C 47 60.862 60.862 59.770 1.092 25856 249 1 . 1 1 47 47 ILE CB C 47 37.726 37.726 37.703 0.023 25856 250 1 . 1 1 47 47 ILE H H 47 7.966 7.966 8.291 -0.325 25856 251 1 . 1 1 48 48 LEU N N 48 128.989 128.989 129.313 -0.324 25856 252 1 . 1 1 48 48 LEU HA H 48 4.864 4.864 4.886 -0.022 25856 253 1 . 1 1 48 48 LEU C C 48 174.217 174.217 174.448 -0.231 25856 254 1 . 1 1 48 48 LEU CA C 48 51.715 51.715 51.274 0.441 25856 255 1 . 1 1 48 48 LEU CB C 48 43.523 43.523 44.375 -0.852 25856 256 1 . 1 1 48 48 LEU H H 48 8.765 8.765 8.650 0.115 25856 257 1 . 1 1 49 49 PRO HA H 49 3.858 3.858 4.329 -0.471 25856 258 1 . 1 1 49 49 PRO C C 49 176.960 176.960 177.403 -0.443 25856 259 1 . 1 1 49 49 PRO CA C 49 63.941 63.941 64.120 -0.179 25856 260 1 . 1 1 49 49 PRO CB C 49 31.256 31.256 31.576 -0.320 25856 261 1 . 1 1 50 50 GLY N N 50 114.638 114.638 114.215 0.423 25856 262 1 . 1 1 50 50 GLY C C 50 174.448 174.448 174.386 0.062 25856 263 1 . 1 1 50 50 GLY CA C 50 44.707 44.707 44.732 -0.025 25856 264 1 . 1 1 50 50 GLY H H 50 9.317 9.317 9.107 0.210 25856 265 1 . 1 1 51 51 ASP N N 51 121.882 121.882 122.420 -0.538 25856 266 1 . 1 1 51 51 ASP HA H 51 4.533 4.533 4.706 -0.173 25856 267 1 . 1 1 51 51 ASP C C 51 175.327 175.327 174.826 0.501 25856 268 1 . 1 1 51 51 ASP CA C 51 55.393 55.393 54.381 1.012 25856 269 1 . 1 1 51 51 ASP CB C 51 41.197 41.197 42.299 -1.102 25856 270 1 . 1 1 51 51 ASP H H 51 8.099 8.099 8.029 0.070 25856 271 1 . 1 1 52 52 LYS N N 52 121.338 121.338 121.418 -0.080 25856 272 1 . 1 1 52 52 LYS HA H 52 5.087 5.087 5.197 -0.110 25856 273 1 . 1 1 52 52 LYS C C 52 176.315 176.315 175.680 0.635 25856 274 1 . 1 1 52 52 LYS CA C 52 54.652 54.652 54.972 -0.320 25856 275 1 . 1 1 52 52 LYS CB C 52 32.597 32.597 34.266 -1.669 25856 276 1 . 1 1 52 52 LYS H H 52 8.410 8.410 8.426 -0.016 25856 277 1 . 1 1 53 53 VAL N N 53 114.761 114.761 120.099 -5.338 25856 278 1 . 1 1 53 53 VAL HA H 53 5.250 5.250 4.740 0.510 25856 279 1 . 1 1 53 53 VAL C C 53 174.278 174.278 174.398 -0.120 25856 280 1 . 1 1 53 53 VAL CA C 53 57.980 57.980 59.323 -1.343 25856 281 1 . 1 1 53 53 VAL CB C 53 36.262 36.262 35.267 0.995 25856 282 1 . 1 1 53 53 VAL H H 53 8.693 8.693 9.034 -0.341 25856 283 1 . 1 1 54 54 THR N N 54 117.231 117.231 119.592 -2.361 25856 284 1 . 1 1 54 54 THR HA H 54 4.837 4.837 4.915 -0.078 25856 285 1 . 1 1 54 54 THR C C 54 173.923 173.923 173.252 0.671 25856 286 1 . 1 1 54 54 THR CA C 54 62.448 62.448 62.692 -0.244 25856 287 1 . 1 1 54 54 THR CB C 54 69.891 69.891 69.398 0.493 25856 288 1 . 1 1 54 54 THR H H 54 8.296 8.296 8.789 -0.493 25856 289 1 . 1 1 55 55 VAL N N 55 124.203 124.203 127.660 -3.457 25856 290 1 . 1 1 55 55 VAL HA H 55 4.832 4.832 4.978 -0.146 25856 291 1 . 1 1 55 55 VAL C C 55 174.106 174.106 173.726 0.380 25856 292 1 . 1 1 55 55 VAL CA C 55 59.551 59.551 59.262 0.289 25856 293 1 . 1 1 55 55 VAL CB C 55 34.576 34.576 35.034 -0.458 25856 294 1 . 1 1 55 55 VAL H H 55 9.331 9.331 9.295 0.036 25856 295 1 . 1 1 56 56 GLU N N 56 123.984 123.984 129.124 -5.140 25856 296 1 . 1 1 56 56 GLU HA H 56 5.220 5.220 5.142 0.078 25856 297 1 . 1 1 56 56 GLU C C 56 176.645 176.645 175.551 1.094 25856 298 1 . 1 1 56 56 GLU CA C 56 54.402 54.402 55.023 -0.621 25856 299 1 . 1 1 56 56 GLU CB C 56 32.700 32.700 30.976 1.724 25856 300 1 . 1 1 56 56 GLU H H 56 9.143 9.143 9.023 0.120 25856 301 1 . 1 1 57 57 MET N N 57 123.465 123.465 121.758 1.707 25856 302 1 . 1 1 57 57 MET HA H 57 4.795 4.795 4.992 -0.197 25856 303 1 . 1 1 57 57 MET C C 57 174.899 174.899 174.713 0.186 25856 304 1 . 1 1 57 57 MET CA C 57 54.339 54.339 54.241 0.098 25856 305 1 . 1 1 57 57 MET CB C 57 36.252 36.252 37.023 -0.771 25856 306 1 . 1 1 57 57 MET H H 57 9.173 9.173 9.189 -0.016 25856 307 1 . 1 1 58 58 SER N N 58 117.390 117.390 117.048 0.342 25856 308 1 . 1 1 58 58 SER HA H 58 5.039 5.039 4.903 0.136 25856 309 1 . 1 1 58 58 SER C C 58 174.693 174.693 174.545 0.148 25856 310 1 . 1 1 58 58 SER CA C 58 54.932 54.932 56.351 -1.419 25856 311 1 . 1 1 58 58 SER CB C 58 64.587 64.587 62.957 1.630 25856 312 1 . 1 1 58 58 SER H H 58 9.184 9.184 8.898 0.286 25856 313 1 . 1 1 59 59 PRO HA H 59 4.106 4.106 4.353 -0.247 25856 314 1 . 1 1 59 59 PRO C C 59 176.290 176.290 176.674 -0.384 25856 315 1 . 1 1 59 59 PRO CA C 59 63.853 63.853 64.917 -1.064 25856 316 1 . 1 1 59 59 PRO CB C 59 31.766 31.766 31.762 0.005 25856 317 1 . 1 1 60 60 TYR N N 60 113.938 113.938 116.741 -2.803 25856 318 1 . 1 1 60 60 TYR HA H 60 4.489 4.489 4.553 -0.064 25856 319 1 . 1 1 60 60 TYR C C 60 175.439 175.439 175.301 0.138 25856 320 1 . 1 1 60 60 TYR CA C 60 57.342 57.342 58.408 -1.066 25856 321 1 . 1 1 60 60 TYR CB C 60 38.293 38.293 39.074 -0.781 25856 322 1 . 1 1 60 60 TYR H H 60 7.307 7.307 8.057 -0.750 25856 323 1 . 1 1 61 61 ASP N N 61 118.283 118.283 119.061 -0.778 25856 324 1 . 1 1 61 61 ASP HA H 61 4.767 4.767 4.541 0.226 25856 325 1 . 1 1 61 61 ASP C C 61 174.996 174.996 176.630 -1.634 25856 326 1 . 1 1 61 61 ASP CA C 61 53.842 53.842 54.623 -0.781 25856 327 1 . 1 1 61 61 ASP CB C 61 41.422 41.422 42.960 -1.538 25856 328 1 . 1 1 61 61 ASP H H 61 7.418 7.418 7.867 -0.449 25856 329 1 . 1 1 62 62 LEU N N 62 124.044 124.044 117.511 6.533 25856 330 1 . 1 1 62 62 LEU HA H 62 4.487 4.487 3.961 0.526 25856 331 1 . 1 1 62 62 LEU C C 62 177.109 177.109 176.018 1.091 25856 332 1 . 1 1 62 62 LEU CA C 62 55.230 55.230 55.876 -0.646 25856 333 1 . 1 1 62 62 LEU CB C 62 40.930 40.930 40.602 0.328 25856 334 1 . 1 1 62 62 LEU H H 62 8.743 8.743 8.260 0.483 25856 335 1 . 1 1 63 63 THR N N 63 107.624 107.624 111.293 -3.669 25856 336 1 . 1 1 63 63 THR HA H 63 4.608 4.608 4.449 0.159 25856 337 1 . 1 1 63 63 THR C C 63 174.873 174.873 173.380 1.493 25856 338 1 . 1 1 63 63 THR CA C 63 62.686 62.686 62.087 0.599 25856 339 1 . 1 1 63 63 THR CB C 63 70.393 70.393 70.260 0.133 25856 340 1 . 1 1 63 63 THR H H 63 8.415 8.415 8.605 -0.190 25856 341 1 . 1 1 64 64 ARG N N 64 120.138 120.138 120.663 -0.525 25856 342 1 . 1 1 64 64 ARG HA H 64 5.619 5.619 5.547 0.072 25856 343 1 . 1 1 64 64 ARG C C 64 174.858 174.858 174.775 0.083 25856 344 1 . 1 1 64 64 ARG CA C 64 54.218 54.218 53.878 0.340 25856 345 1 . 1 1 64 64 ARG CB C 64 34.526 34.526 33.897 0.629 25856 346 1 . 1 1 64 64 ARG H H 64 7.200 7.200 8.382 -1.182 25856 347 1 . 1 1 65 65 GLY N N 65 106.034 106.034 108.312 -2.278 25856 348 1 . 1 1 65 65 GLY C C 65 171.075 171.075 171.976 -0.901 25856 349 1 . 1 1 65 65 GLY CA C 65 45.353 45.353 45.286 0.067 25856 350 1 . 1 1 65 65 GLY H H 65 8.618 8.618 8.280 0.338 25856 351 1 . 1 1 66 66 ARG N N 66 118.635 118.635 119.519 -0.884 25856 352 1 . 1 1 66 66 ARG HA H 66 4.986 4.986 5.543 -0.557 25856 353 1 . 1 1 66 66 ARG C C 66 175.345 175.345 174.460 0.885 25856 354 1 . 1 1 66 66 ARG CA C 66 53.691 53.691 54.178 -0.487 25856 355 1 . 1 1 66 66 ARG CB C 66 33.411 33.411 34.655 -1.244 25856 356 1 . 1 1 66 66 ARG H H 66 8.621 8.621 8.609 0.012 25856 357 1 . 1 1 67 67 ILE N N 67 125.220 125.220 127.112 -1.892 25856 358 1 . 1 1 67 67 ILE HA H 67 4.402 4.402 4.891 -0.489 25856 359 1 . 1 1 67 67 ILE C C 67 176.084 176.084 176.252 -0.168 25856 360 1 . 1 1 67 67 ILE CA C 67 62.299 62.299 60.611 1.688 25856 361 1 . 1 1 67 67 ILE CB C 67 39.359 39.359 38.726 0.633 25856 362 1 . 1 1 67 67 ILE H H 67 9.083 9.083 9.043 0.040 25856 363 1 . 1 1 68 68 THR N N 68 117.584 117.584 121.046 -3.462 25856 364 1 . 1 1 68 68 THR HA H 68 4.435 4.435 4.539 -0.104 25856 365 1 . 1 1 68 68 THR C C 68 174.406 174.406 174.253 0.153 25856 366 1 . 1 1 68 68 THR CA C 68 61.164 61.164 62.151 -0.987 25856 367 1 . 1 1 68 68 THR CB C 68 69.514 69.514 70.487 -0.974 25856 368 1 . 1 1 68 68 THR H H 68 8.691 8.691 8.488 0.203 25856 369 1 . 1 1 69 69 TYR N N 69 120.904 120.904 121.552 -0.648 25856 370 1 . 1 1 69 69 TYR HA H 69 4.353 4.353 4.704 -0.351 25856 371 1 . 1 1 69 69 TYR C C 69 172.657 172.657 173.137 -0.480 25856 372 1 . 1 1 69 69 TYR CA C 69 58.734 58.734 57.666 1.068 25856 373 1 . 1 1 69 69 TYR CB C 69 41.431 41.431 41.870 -0.439 25856 374 1 . 1 1 69 69 TYR H H 69 7.479 7.479 7.501 -0.022 25856 375 1 . 1 1 70 70 ARG N N 70 125.781 125.781 124.349 1.432 25856 376 1 . 1 1 70 70 ARG HA H 70 4.691 4.691 4.496 0.195 25856 377 1 . 1 1 70 70 ARG C C 70 174.016 174.016 173.704 0.312 25856 378 1 . 1 1 70 70 ARG CA C 70 54.661 54.661 54.542 0.119 25856 379 1 . 1 1 70 70 ARG CB C 70 31.816 31.816 31.782 0.035 25856 380 1 . 1 1 70 70 ARG H H 70 7.439 7.439 7.859 -0.420 25856 381 1 . 1 1 71 71 TYR N N 71 124.942 124.942 125.424 -0.482 25856 382 1 . 1 1 71 71 TYR HA H 71 4.251 4.251 4.419 -0.168 25856 383 1 . 1 1 71 71 TYR C C 71 175.278 175.278 174.418 0.860 25856 384 1 . 1 1 71 71 TYR CA C 71 58.445 58.445 57.903 0.542 25856 385 1 . 1 1 71 71 TYR CB C 71 38.803 38.803 40.560 -1.757 25856 386 1 . 1 1 71 71 TYR H H 71 8.478 8.478 8.644 -0.166 25856 stop_ save_