data_25693 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25693 _Entry.PDB_ID 2N54 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 25693 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY C C 2 176.333 176.333 174.062 2.271 25693 2 1 1 . 1 1 2 2 GLY CA C 2 52.881 52.881 45.035 7.846 25693 3 1 1 . 1 1 3 3 SER N N 3 119.606 119.606 116.335 3.271 25693 4 1 1 . 1 1 3 3 SER C C 3 171.619 171.619 174.266 -2.647 25693 5 1 1 . 1 1 3 3 SER CA C 3 62.684 62.684 58.887 3.797 25693 6 1 1 . 1 1 3 3 SER CB C 3 62.684 62.684 63.937 -1.253 25693 7 1 1 . 1 1 3 3 SER H H 3 8.031 8.031 8.156 -0.125 25693 8 1 1 . 1 1 4 4 GLU N N 4 122.937 122.937 122.846 0.091 25693 9 1 1 . 1 1 4 4 GLU C C 4 178.452 178.452 175.286 3.166 25693 10 1 1 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.581 0.806 25693 11 1 1 . 1 1 4 4 GLU CB C 4 30.575 30.575 29.533 1.042 25693 12 1 1 . 1 1 4 4 GLU H H 4 7.979 7.979 7.976 0.003 25693 13 1 1 . 1 1 5 5 VAL N N 5 120.522 120.522 126.368 -5.846 25693 14 1 1 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.285 -0.016 25693 15 1 1 . 1 1 5 5 VAL CA C 5 62.840 62.840 62.527 0.313 25693 16 1 1 . 1 1 5 5 VAL CB C 5 33.194 33.194 33.440 -0.246 25693 17 1 1 . 1 1 5 5 VAL H H 5 8.185 8.185 8.120 0.065 25693 18 1 1 . 1 1 6 6 SER N N 6 119.109 119.109 119.689 -0.580 25693 19 1 1 . 1 1 6 6 SER HA H 6 4.560 4.560 4.608 -0.048 25693 20 1 1 . 1 1 6 6 SER CA C 6 58.826 58.826 58.816 0.009 25693 21 1 1 . 1 1 6 6 SER CB C 6 64.865 64.865 63.786 1.079 25693 22 1 1 . 1 1 6 6 SER H H 6 8.340 8.340 8.282 0.058 25693 23 1 1 . 1 1 7 7 ASP N N 7 122.786 122.786 122.830 -0.044 25693 24 1 1 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.724 -0.018 25693 25 1 1 . 1 1 7 7 ASP C C 7 177.572 177.572 175.125 2.447 25693 26 1 1 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.512 0.424 25693 27 1 1 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.378 0.606 25693 28 1 1 . 1 1 7 7 ASP H H 7 8.347 8.347 8.076 0.271 25693 29 1 1 . 1 1 8 8 LYS N N 8 119.939 119.939 123.331 -3.392 25693 30 1 1 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.468 -0.061 25693 31 1 1 . 1 1 8 8 LYS C C 8 178.323 178.323 175.482 2.841 25693 32 1 1 . 1 1 8 8 LYS CA C 8 56.844 56.844 55.161 1.683 25693 33 1 1 . 1 1 8 8 LYS CB C 8 31.076 31.076 34.924 -3.848 25693 34 1 1 . 1 1 8 8 LYS H H 8 8.060 8.060 8.380 -0.320 25693 35 1 1 . 1 1 9 9 ARG N N 9 121.813 121.813 122.069 -0.256 25693 36 1 1 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.363 0.106 25693 37 1 1 . 1 1 9 9 ARG C C 9 178.148 178.148 176.391 1.757 25693 38 1 1 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.453 1.326 25693 39 1 1 . 1 1 9 9 ARG CB C 9 31.062 31.062 29.497 1.565 25693 40 1 1 . 1 1 9 9 ARG H H 9 8.352 8.352 8.600 -0.248 25693 41 1 1 . 1 1 10 10 THR N N 10 116.680 116.680 117.579 -0.899 25693 42 1 1 . 1 1 10 10 THR HA H 10 4.487 4.487 4.321 0.166 25693 43 1 1 . 1 1 10 10 THR CA C 10 59.286 59.286 62.385 -3.099 25693 44 1 1 . 1 1 10 10 THR CB C 10 64.412 64.412 67.829 -3.417 25693 45 1 1 . 1 1 10 10 THR H H 10 8.263 8.263 8.419 -0.156 25693 46 1 1 . 1 1 11 11 CYS N N 11 124.443 124.443 124.060 0.383 25693 47 1 1 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.676 1.616 25693 48 1 1 . 1 1 11 11 CYS C C 11 169.873 169.873 174.087 -4.214 25693 49 1 1 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.907 -2.296 25693 50 1 1 . 1 1 11 11 CYS CB C 11 44.241 44.241 31.307 12.934 25693 51 1 1 . 1 1 11 11 CYS H H 11 8.166 8.166 7.961 0.205 25693 52 1 1 . 1 1 12 12 VAL N N 12 118.379 118.379 121.140 -2.761 25693 53 1 1 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.558 0.155 25693 54 1 1 . 1 1 12 12 VAL CA C 12 60.970 60.970 61.380 -0.410 25693 55 1 1 . 1 1 12 12 VAL CB C 12 35.720 35.720 33.387 2.333 25693 56 1 1 . 1 1 12 12 VAL H H 12 9.190 9.190 8.809 0.381 25693 57 1 1 . 1 1 13 13 SER N N 13 118.231 118.231 120.465 -2.234 25693 58 1 1 . 1 1 13 13 SER HA H 13 5.457 5.457 5.182 0.275 25693 59 1 1 . 1 1 13 13 SER CA C 13 57.815 57.815 56.884 0.931 25693 60 1 1 . 1 1 13 13 SER CB C 13 66.744 66.744 65.569 1.175 25693 61 1 1 . 1 1 13 13 SER H H 13 8.477 8.477 8.277 0.200 25693 62 1 1 . 1 1 14 14 LEU N N 14 125.590 125.590 123.061 2.529 25693 63 1 1 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.849 -0.033 25693 64 1 1 . 1 1 14 14 LEU C C 14 176.497 176.497 175.621 0.876 25693 65 1 1 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.131 0.937 25693 66 1 1 . 1 1 14 14 LEU CB C 14 45.750 45.750 46.514 -0.764 25693 67 1 1 . 1 1 14 14 LEU H H 14 9.031 9.031 8.873 0.158 25693 68 1 1 . 1 1 15 15 THR N N 15 121.083 121.083 114.253 6.830 25693 69 1 1 . 1 1 15 15 THR HA H 15 4.870 4.870 4.621 0.249 25693 70 1 1 . 1 1 15 15 THR C C 15 171.445 171.445 173.653 -2.208 25693 71 1 1 . 1 1 15 15 THR CA C 15 62.607 62.607 61.190 1.417 25693 72 1 1 . 1 1 15 15 THR CB C 15 70.127 70.127 69.175 0.952 25693 73 1 1 . 1 1 15 15 THR H H 15 8.684 8.684 8.393 0.291 25693 74 1 1 . 1 1 16 16 THR N N 16 117.142 117.142 119.535 -2.393 25693 75 1 1 . 1 1 16 16 THR HA H 16 4.724 4.724 4.409 0.315 25693 76 1 1 . 1 1 16 16 THR CA C 16 61.091 61.091 61.540 -0.449 25693 77 1 1 . 1 1 16 16 THR CB C 16 71.260 71.260 69.771 1.489 25693 78 1 1 . 1 1 16 16 THR H H 16 8.114 8.114 8.156 -0.042 25693 79 1 1 . 1 1 17 17 GLN N N 17 119.423 119.423 119.763 -0.340 25693 80 1 1 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.043 0.454 25693 81 1 1 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.244 -0.683 25693 82 1 1 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.855 0.989 25693 83 1 1 . 1 1 17 17 GLN H H 17 8.260 8.260 8.545 -0.285 25693 84 1 1 . 1 1 18 18 ARG N N 18 119.630 119.630 115.309 4.321 25693 85 1 1 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.594 -0.087 25693 86 1 1 . 1 1 18 18 ARG C C 18 177.434 177.434 174.757 2.677 25693 87 1 1 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.821 1.290 25693 88 1 1 . 1 1 18 18 ARG CB C 18 30.895 30.895 31.120 -0.225 25693 89 1 1 . 1 1 18 18 ARG H H 18 8.190 8.190 8.455 -0.265 25693 90 1 1 . 1 1 19 19 LEU N N 19 125.797 125.797 123.175 2.622 25693 91 1 1 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.652 0.589 25693 92 1 1 . 1 1 19 19 LEU CB C 19 43.403 43.403 42.107 1.296 25693 93 1 1 . 1 1 19 19 LEU H H 19 8.674 8.674 7.836 0.838 25693 94 1 1 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.500 0.288 25693 95 1 1 . 1 1 20 20 PRO C C 20 177.352 177.352 175.722 1.630 25693 96 1 1 . 1 1 20 20 PRO CA C 20 63.146 63.146 63.180 -0.034 25693 97 1 1 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.015 -2.523 25693 98 1 1 . 1 1 21 21 VAL N N 21 119.308 119.308 118.379 0.929 25693 99 1 1 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.409 -0.271 25693 100 1 1 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.263 1.045 25693 101 1 1 . 1 1 21 21 VAL CB C 21 34.628 34.628 33.824 0.804 25693 102 1 1 . 1 1 21 21 VAL H H 21 7.850 7.850 7.791 0.059 25693 103 1 1 . 1 1 22 22 SER N N 22 121.709 121.709 116.807 4.902 25693 104 1 1 . 1 1 22 22 SER HA H 22 4.589 4.589 4.367 0.222 25693 105 1 1 . 1 1 22 22 SER C C 22 170.922 170.922 174.375 -3.453 25693 106 1 1 . 1 1 22 22 SER CA C 22 59.316 59.316 60.406 -1.090 25693 107 1 1 . 1 1 22 22 SER CB C 22 64.576 64.576 63.642 0.934 25693 108 1 1 . 1 1 22 22 SER H H 22 8.671 8.671 8.480 0.191 25693 109 1 1 . 1 1 23 23 ARG N N 23 120.473 120.473 119.183 1.290 25693 110 1 1 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.440 0.139 25693 111 1 1 . 1 1 23 23 ARG C C 23 171.215 171.215 174.042 -2.827 25693 112 1 1 . 1 1 23 23 ARG CA C 23 55.396 55.396 54.945 0.451 25693 113 1 1 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.192 0.199 25693 114 1 1 . 1 1 23 23 ARG H H 23 7.828 7.828 7.713 0.115 25693 115 1 1 . 1 1 24 24 ILE N N 24 120.563 120.563 124.293 -3.730 25693 116 1 1 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.552 -0.117 25693 117 1 1 . 1 1 24 24 ILE C C 24 176.100 176.100 176.188 -0.088 25693 118 1 1 . 1 1 24 24 ILE CA C 24 62.503 62.503 60.513 1.990 25693 119 1 1 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.348 3.161 25693 120 1 1 . 1 1 24 24 ILE H H 24 8.085 8.085 8.274 -0.189 25693 121 1 1 . 1 1 25 25 LYS N N 25 127.474 127.474 127.013 0.461 25693 122 1 1 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.642 0.129 25693 123 1 1 . 1 1 25 25 LYS C C 25 173.336 173.336 174.910 -1.574 25693 124 1 1 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.405 0.715 25693 125 1 1 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.133 0.692 25693 126 1 1 . 1 1 25 25 LYS H H 25 8.526 8.526 7.824 0.702 25693 127 1 1 . 1 1 26 26 THR N N 26 114.644 114.644 112.270 2.374 25693 128 1 1 . 1 1 26 26 THR HA H 26 5.512 5.512 5.437 0.075 25693 129 1 1 . 1 1 26 26 THR C C 26 169.422 169.422 173.712 -4.290 25693 130 1 1 . 1 1 26 26 THR CA C 26 60.264 60.264 59.631 0.633 25693 131 1 1 . 1 1 26 26 THR CB C 26 72.098 72.098 70.604 1.494 25693 132 1 1 . 1 1 26 26 THR H H 26 7.998 7.998 7.970 0.028 25693 133 1 1 . 1 1 27 27 TYR N N 27 122.745 122.745 125.004 -2.259 25693 134 1 1 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.629 0.248 25693 135 1 1 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.521 -0.190 25693 136 1 1 . 1 1 27 27 TYR CB C 27 42.601 42.601 40.956 1.645 25693 137 1 1 . 1 1 27 27 TYR H H 27 8.848 8.848 8.662 0.186 25693 138 1 1 . 1 1 28 28 THR N N 28 117.167 117.167 120.720 -3.553 25693 139 1 1 . 1 1 28 28 THR HA H 28 5.005 5.005 5.378 -0.373 25693 140 1 1 . 1 1 28 28 THR C C 28 169.027 169.027 173.857 -4.830 25693 141 1 1 . 1 1 28 28 THR CA C 28 61.921 61.921 61.533 0.388 25693 142 1 1 . 1 1 28 28 THR CB C 28 70.988 70.988 69.789 1.199 25693 143 1 1 . 1 1 28 28 THR H H 28 8.532 8.532 8.661 -0.129 25693 144 1 1 . 1 1 29 29 ILE N N 29 124.474 124.474 127.902 -3.428 25693 145 1 1 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.463 -0.111 25693 146 1 1 . 1 1 29 29 ILE C C 29 171.747 171.747 175.281 -3.534 25693 147 1 1 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.275 -0.070 25693 148 1 1 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.230 1.795 25693 149 1 1 . 1 1 29 29 ILE H H 29 8.782 8.782 9.044 -0.262 25693 150 1 1 . 1 1 30 30 THR N N 30 120.157 120.157 117.906 2.251 25693 151 1 1 . 1 1 30 30 THR HA H 30 5.143 5.143 5.401 -0.258 25693 152 1 1 . 1 1 30 30 THR C C 30 170.054 170.054 173.875 -3.821 25693 153 1 1 . 1 1 30 30 THR CA C 30 60.664 60.664 60.125 0.539 25693 154 1 1 . 1 1 30 30 THR CB C 30 71.397 71.397 69.254 2.143 25693 155 1 1 . 1 1 30 30 THR H H 30 8.475 8.475 8.553 -0.078 25693 156 1 1 . 1 1 31 31 GLU N N 31 126.425 126.425 124.047 2.378 25693 157 1 1 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.637 0.014 25693 158 1 1 . 1 1 31 31 GLU C C 31 176.004 176.004 176.584 -0.580 25693 159 1 1 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.444 -0.232 25693 160 1 1 . 1 1 31 31 GLU CB C 31 31.637 31.637 30.939 0.698 25693 161 1 1 . 1 1 31 31 GLU H H 31 8.589 8.589 8.590 -0.001 25693 162 1 1 . 1 1 32 32 GLY N N 32 116.534 116.534 114.185 2.349 25693 163 1 1 . 1 1 32 32 GLY CA C 32 47.692 47.692 46.888 0.805 25693 164 1 1 . 1 1 32 32 GLY H H 32 8.996 8.996 8.812 0.184 25693 165 1 1 . 1 1 33 33 SER HA H 33 4.452 4.452 4.694 -0.242 25693 166 1 1 . 1 1 33 33 SER C C 33 173.267 173.267 173.111 0.156 25693 167 1 1 . 1 1 33 33 SER CA C 33 59.715 59.715 57.938 1.778 25693 168 1 1 . 1 1 33 33 SER CB C 33 59.715 59.715 63.625 -3.910 25693 169 1 1 . 1 1 34 34 LEU N N 34 116.305 116.305 124.492 -8.187 25693 170 1 1 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.753 -0.092 25693 171 1 1 . 1 1 34 34 LEU C C 34 173.314 173.314 174.513 -1.199 25693 172 1 1 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.124 1.180 25693 173 1 1 . 1 1 34 34 LEU CB C 34 44.132 44.132 43.996 0.136 25693 174 1 1 . 1 1 34 34 LEU H H 34 8.425 8.425 8.043 0.382 25693 175 1 1 . 1 1 35 35 ARG N N 35 127.474 127.474 125.161 2.313 25693 176 1 1 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.644 -0.453 25693 177 1 1 . 1 1 35 35 ARG C C 35 175.720 175.720 174.948 0.772 25693 178 1 1 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.412 0.892 25693 179 1 1 . 1 1 35 35 ARG CB C 35 32.808 32.808 33.237 -0.429 25693 180 1 1 . 1 1 35 35 ARG H H 35 8.560 8.560 9.297 -0.737 25693 181 1 1 . 1 1 36 36 CYS N N 36 122.335 122.335 120.857 1.478 25693 182 1 1 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.498 0.351 25693 183 1 1 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.511 -1.673 25693 184 1 1 . 1 1 36 36 CYS CB C 36 50.065 50.065 31.362 18.703 25693 185 1 1 . 1 1 36 36 CYS H H 36 9.179 9.179 9.138 0.041 25693 186 1 1 . 1 1 37 37 VAL N N 37 122.327 122.327 126.573 -4.246 25693 187 1 1 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.068 -0.315 25693 188 1 1 . 1 1 37 37 VAL CA C 37 61.106 61.106 61.001 0.105 25693 189 1 1 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.696 0.463 25693 190 1 1 . 1 1 37 37 VAL H H 37 9.308 9.308 9.096 0.212 25693 191 1 1 . 1 1 38 38 ILE N N 38 126.295 126.295 126.657 -0.362 25693 192 1 1 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.235 -0.387 25693 193 1 1 . 1 1 38 38 ILE CA C 38 60.480 60.480 59.813 0.667 25693 194 1 1 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.242 0.649 25693 195 1 1 . 1 1 38 38 ILE H H 38 9.014 9.014 8.923 0.091 25693 196 1 1 . 1 1 39 39 PHE N N 39 124.882 124.882 127.106 -2.224 25693 197 1 1 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.394 -0.087 25693 198 1 1 . 1 1 39 39 PHE C C 39 174.855 174.855 175.801 -0.946 25693 199 1 1 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.318 0.180 25693 200 1 1 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.492 1.015 25693 201 1 1 . 1 1 39 39 PHE H H 39 9.700 9.700 9.398 0.302 25693 202 1 1 . 1 1 40 40 ILE N N 40 124.722 124.722 126.659 -1.937 25693 203 1 1 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.458 0.264 25693 204 1 1 . 1 1 40 40 ILE C C 40 173.603 173.603 175.081 -1.478 25693 205 1 1 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.074 0.662 25693 206 1 1 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.450 0.461 25693 207 1 1 . 1 1 40 40 ILE H H 40 9.313 9.313 9.130 0.183 25693 208 1 1 . 1 1 41 41 THR N N 41 116.571 116.571 119.574 -3.003 25693 209 1 1 . 1 1 41 41 THR HA H 41 4.988 4.988 4.809 0.179 25693 210 1 1 . 1 1 41 41 THR C C 41 171.363 171.363 174.938 -3.575 25693 211 1 1 . 1 1 41 41 THR CA C 41 59.776 59.776 59.631 0.145 25693 212 1 1 . 1 1 41 41 THR CB C 41 72.930 72.930 71.935 0.995 25693 213 1 1 . 1 1 41 41 THR H H 41 8.593 8.593 8.953 -0.360 25693 214 1 1 . 1 1 42 42 LYS N N 42 116.228 116.228 120.412 -4.184 25693 215 1 1 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.342 0.065 25693 216 1 1 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.982 1.518 25693 217 1 1 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.731 1.602 25693 218 1 1 . 1 1 42 42 LYS H H 42 8.597 8.597 8.857 -0.260 25693 219 1 1 . 1 1 43 43 ARG N N 43 113.916 113.916 116.664 -2.748 25693 220 1 1 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.882 -0.231 25693 221 1 1 . 1 1 43 43 ARG C C 43 176.160 176.160 174.958 1.202 25693 222 1 1 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.325 -0.113 25693 223 1 1 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.193 -0.643 25693 224 1 1 . 1 1 43 43 ARG H H 43 7.753 7.753 7.431 0.322 25693 225 1 1 . 1 1 44 44 GLY N N 44 107.712 107.712 106.074 1.638 25693 226 1 1 . 1 1 44 44 GLY C C 44 163.798 163.798 172.129 -8.331 25693 227 1 1 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.780 0.342 25693 228 1 1 . 1 1 44 44 GLY H H 44 7.498 7.498 7.498 -0.000 25693 229 1 1 . 1 1 45 45 LEU N N 45 120.948 120.948 120.234 0.714 25693 230 1 1 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.333 0.198 25693 231 1 1 . 1 1 45 45 LEU C C 45 175.801 175.801 174.875 0.926 25693 232 1 1 . 1 1 45 45 LEU CA C 45 54.201 54.201 53.943 0.258 25693 233 1 1 . 1 1 45 45 LEU CB C 45 47.446 47.446 47.049 0.397 25693 234 1 1 . 1 1 45 45 LEU H H 45 8.374 8.374 9.193 -0.819 25693 235 1 1 . 1 1 46 46 LYS N N 46 124.968 124.968 124.280 0.688 25693 236 1 1 . 1 1 46 46 LYS HA H 46 5.333 5.333 4.907 0.426 25693 237 1 1 . 1 1 46 46 LYS C C 46 171.169 171.169 174.338 -3.169 25693 238 1 1 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.304 0.551 25693 239 1 1 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.876 0.870 25693 240 1 1 . 1 1 46 46 LYS H H 46 9.115 9.115 8.857 0.258 25693 241 1 1 . 1 1 47 47 VAL N N 47 126.006 126.006 127.185 -1.179 25693 242 1 1 . 1 1 47 47 VAL HA H 47 5.253 5.253 4.871 0.382 25693 243 1 1 . 1 1 47 47 VAL C C 47 173.892 173.892 173.144 0.748 25693 244 1 1 . 1 1 47 47 VAL CA C 47 60.940 60.940 60.210 0.730 25693 245 1 1 . 1 1 47 47 VAL CB C 47 34.851 34.851 34.203 0.648 25693 246 1 1 . 1 1 47 47 VAL H H 47 9.221 9.221 8.839 0.382 25693 247 1 1 . 1 1 48 48 CYS N N 48 123.279 123.279 128.982 -5.703 25693 248 1 1 . 1 1 48 48 CYS HA H 48 6.040 6.040 4.946 1.094 25693 249 1 1 . 1 1 48 48 CYS C C 48 172.554 172.554 173.921 -1.367 25693 250 1 1 . 1 1 48 48 CYS CA C 48 55.181 55.181 57.907 -2.726 25693 251 1 1 . 1 1 48 48 CYS CB C 48 48.662 48.662 27.397 21.265 25693 252 1 1 . 1 1 48 48 CYS H H 48 9.201 9.201 9.189 0.012 25693 253 1 1 . 1 1 49 49 CYS N N 49 119.872 119.872 128.102 -8.230 25693 254 1 1 . 1 1 49 49 CYS HA H 49 5.679 5.679 4.925 0.754 25693 255 1 1 . 1 1 49 49 CYS CA C 49 56.214 56.214 59.210 -2.996 25693 256 1 1 . 1 1 49 49 CYS CB C 49 48.015 48.015 28.310 19.705 25693 257 1 1 . 1 1 49 49 CYS H H 49 9.117 9.117 9.063 0.054 25693 258 1 1 . 1 1 50 50 ASP N N 50 123.093 123.093 123.220 -0.127 25693 259 1 1 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.194 -0.032 25693 260 1 1 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.311 1.558 25693 261 1 1 . 1 1 50 50 ASP CB C 50 42.838 42.838 43.947 -1.109 25693 262 1 1 . 1 1 50 50 ASP H H 50 8.837 8.837 9.323 -0.486 25693 263 1 1 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.718 0.007 25693 264 1 1 . 1 1 51 51 PRO C C 51 178.489 178.489 176.176 2.313 25693 265 1 1 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.225 0.350 25693 266 1 1 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.513 1.037 25693 267 1 1 . 1 1 52 52 GLN N N 52 120.594 120.594 113.451 7.143 25693 268 1 1 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.660 -0.292 25693 269 1 1 . 1 1 52 52 GLN C C 52 175.779 175.779 174.735 1.044 25693 270 1 1 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.624 -0.470 25693 271 1 1 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.241 3.828 25693 272 1 1 . 1 1 52 52 GLN H H 52 8.504 8.504 8.340 0.164 25693 273 1 1 . 1 1 53 53 ALA N N 53 124.936 124.936 124.864 0.072 25693 274 1 1 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.614 -0.272 25693 275 1 1 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.365 -0.151 25693 276 1 1 . 1 1 53 53 ALA CB C 53 19.978 19.978 20.866 -0.888 25693 277 1 1 . 1 1 53 53 ALA H H 53 8.290 8.290 9.615 -1.325 25693 278 1 1 . 1 1 54 54 THR N N 54 112.200 112.200 112.704 -0.504 25693 279 1 1 . 1 1 54 54 THR HA H 54 4.318 4.318 4.510 -0.192 25693 280 1 1 . 1 1 54 54 THR CA C 54 62.594 62.594 61.263 1.331 25693 281 1 1 . 1 1 54 54 THR CB C 54 70.341 70.341 68.844 1.497 25693 282 1 1 . 1 1 54 54 THR H H 54 8.011 8.011 9.356 -1.345 25693 283 1 1 . 1 1 55 55 TRP N N 55 122.937 122.937 123.764 -0.827 25693 284 1 1 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.699 0.104 25693 285 1 1 . 1 1 55 55 TRP C C 55 176.602 176.602 176.369 0.233 25693 286 1 1 . 1 1 55 55 TRP CA C 55 57.651 57.651 57.312 0.339 25693 287 1 1 . 1 1 55 55 TRP CB C 55 30.105 30.105 28.043 2.062 25693 288 1 1 . 1 1 55 55 TRP H H 55 7.979 7.979 7.587 0.392 25693 289 1 1 . 1 1 56 56 VAL N N 56 121.829 121.829 121.072 0.757 25693 290 1 1 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.598 -0.567 25693 291 1 1 . 1 1 56 56 VAL C C 56 175.779 175.779 175.642 0.137 25693 292 1 1 . 1 1 56 56 VAL CA C 56 63.060 63.060 59.677 3.383 25693 293 1 1 . 1 1 56 56 VAL CB C 56 33.012 33.012 34.282 -1.270 25693 294 1 1 . 1 1 56 56 VAL H H 56 7.817 7.817 7.786 0.031 25693 295 1 1 . 1 1 57 57 ARG N N 57 123.817 123.817 126.199 -2.382 25693 296 1 1 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.696 -0.391 25693 297 1 1 . 1 1 57 57 ARG C C 57 176.484 176.484 175.271 1.213 25693 298 1 1 . 1 1 57 57 ARG CA C 57 56.741 56.741 56.119 0.622 25693 299 1 1 . 1 1 57 57 ARG CB C 57 31.502 31.502 30.098 1.404 25693 300 1 1 . 1 1 57 57 ARG H H 57 8.087 8.087 8.724 -0.637 25693 301 1 1 . 1 1 58 58 ASP N N 58 121.452 121.452 123.073 -1.621 25693 302 1 1 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.623 0.094 25693 303 1 1 . 1 1 58 58 ASP C C 58 177.508 177.508 176.726 0.782 25693 304 1 1 . 1 1 58 58 ASP CA C 58 54.966 54.966 53.606 1.360 25693 305 1 1 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.582 0.439 25693 306 1 1 . 1 1 58 58 ASP H H 58 8.240 8.240 8.092 0.148 25693 307 1 1 . 1 1 59 59 VAL N N 59 120.104 120.104 117.359 2.745 25693 308 1 1 . 1 1 59 59 VAL HA H 59 4.167 4.167 3.664 0.503 25693 309 1 1 . 1 1 59 59 VAL C C 59 177.636 177.636 175.432 2.204 25693 310 1 1 . 1 1 59 59 VAL CA C 59 63.146 63.146 64.242 -1.096 25693 311 1 1 . 1 1 59 59 VAL CB C 59 33.377 33.377 31.810 1.567 25693 312 1 1 . 1 1 59 59 VAL H H 59 8.059 8.059 8.566 -0.507 25693 313 1 1 . 1 1 60 60 VAL N N 60 123.394 123.394 119.523 3.871 25693 314 1 1 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.697 0.446 25693 315 1 1 . 1 1 60 60 VAL C C 60 177.956 177.956 175.159 2.797 25693 316 1 1 . 1 1 60 60 VAL CA C 60 63.452 63.452 63.369 0.083 25693 317 1 1 . 1 1 60 60 VAL CB C 60 33.012 33.012 29.645 3.367 25693 318 1 1 . 1 1 60 60 VAL H H 60 8.115 8.115 8.122 -0.007 25693 319 1 1 . 1 1 61 61 ARG N N 61 124.402 124.402 125.386 -0.984 25693 320 1 1 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.498 0.135 25693 321 1 1 . 1 1 61 61 ARG C C 61 177.786 177.786 175.691 2.095 25693 322 1 1 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.333 1.380 25693 323 1 1 . 1 1 61 61 ARG CB C 61 31.306 31.306 30.457 0.849 25693 324 1 1 . 1 1 61 61 ARG H H 61 8.350 8.350 8.128 0.222 25693 325 1 1 . 1 1 62 62 SER N N 62 121.629 121.629 120.134 1.495 25693 326 1 1 . 1 1 62 62 SER HA H 62 4.579 4.579 4.412 0.167 25693 327 1 1 . 1 1 62 62 SER C C 62 177.687 177.687 174.490 3.197 25693 328 1 1 . 1 1 62 62 SER CA C 62 56.270 56.270 58.092 -1.822 25693 329 1 1 . 1 1 62 62 SER CB C 62 70.537 70.537 63.820 6.717 25693 330 1 1 . 1 1 62 62 SER H H 62 8.253 8.253 8.550 -0.297 25693 331 1 1 . 1 1 63 63 MET N N 63 121.452 121.452 126.522 -5.070 25693 332 1 1 . 1 1 63 63 MET HA H 63 4.706 4.706 4.184 0.522 25693 333 1 1 . 1 1 63 63 MET C C 63 177.252 177.252 175.718 1.534 25693 334 1 1 . 1 1 63 63 MET CA C 63 54.861 54.861 55.888 -1.026 25693 335 1 1 . 1 1 63 63 MET CB C 63 31.514 31.514 33.065 -1.551 25693 336 1 1 . 1 1 63 63 MET H H 63 8.245 8.245 8.442 -0.197 25693 337 1 1 . 1 1 64 64 ASP N N 64 120.811 120.811 125.891 -5.080 25693 338 1 1 . 1 1 64 64 ASP C C 64 177.786 177.786 175.900 1.886 25693 339 1 1 . 1 1 64 64 ASP CA C 64 56.468 56.468 54.196 2.272 25693 340 1 1 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.131 -8.754 25693 341 1 1 . 1 1 64 64 ASP H H 64 8.251 8.251 8.303 -0.052 25693 342 1 1 . 1 1 65 65 ARG N N 65 120.563 120.563 126.085 -5.522 25693 343 1 1 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.166 0.303 25693 344 1 1 . 1 1 65 65 ARG C C 65 179.397 179.397 176.342 3.055 25693 345 1 1 . 1 1 65 65 ARG CA C 65 57.080 57.080 56.284 0.796 25693 346 1 1 . 1 1 65 65 ARG CB C 65 33.510 33.510 29.723 3.788 25693 347 1 1 . 1 1 65 65 ARG H H 65 8.145 8.145 8.421 -0.276 25693 348 1 2 . 1 1 2 2 GLY C C 2 176.333 176.333 174.129 2.204 25693 349 1 2 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.532 8.349 25693 350 1 2 . 1 1 3 3 SER N N 3 119.606 119.606 117.221 2.385 25693 351 1 2 . 1 1 3 3 SER C C 3 171.619 171.619 173.992 -2.373 25693 352 1 2 . 1 1 3 3 SER CA C 3 62.684 62.684 58.081 4.603 25693 353 1 2 . 1 1 3 3 SER CB C 3 62.684 62.684 63.770 -1.086 25693 354 1 2 . 1 1 3 3 SER H H 3 8.031 8.031 8.296 -0.265 25693 355 1 2 . 1 1 4 4 GLU N N 4 122.937 122.937 127.171 -4.234 25693 356 1 2 . 1 1 4 4 GLU C C 4 178.452 178.452 176.035 2.417 25693 357 1 2 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.359 1.028 25693 358 1 2 . 1 1 4 4 GLU CB C 4 30.575 30.575 29.592 0.983 25693 359 1 2 . 1 1 4 4 GLU H H 4 7.979 7.979 8.654 -0.675 25693 360 1 2 . 1 1 5 5 VAL N N 5 120.522 120.522 121.897 -1.375 25693 361 1 2 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.597 -0.328 25693 362 1 2 . 1 1 5 5 VAL CA C 5 62.840 62.840 60.840 2.000 25693 363 1 2 . 1 1 5 5 VAL CB C 5 33.194 33.194 33.635 -0.440 25693 364 1 2 . 1 1 5 5 VAL H H 5 8.185 8.185 8.007 0.178 25693 365 1 2 . 1 1 6 6 SER N N 6 119.109 119.109 118.645 0.464 25693 366 1 2 . 1 1 6 6 SER HA H 6 4.560 4.560 4.636 -0.076 25693 367 1 2 . 1 1 6 6 SER CA C 6 58.826 58.826 57.569 1.257 25693 368 1 2 . 1 1 6 6 SER CB C 6 64.865 64.865 65.166 -0.301 25693 369 1 2 . 1 1 6 6 SER H H 6 8.340 8.340 8.212 0.128 25693 370 1 2 . 1 1 7 7 ASP N N 7 122.786 122.786 122.641 0.145 25693 371 1 2 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.727 -0.021 25693 372 1 2 . 1 1 7 7 ASP C C 7 177.572 177.572 174.724 2.848 25693 373 1 2 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.504 0.432 25693 374 1 2 . 1 1 7 7 ASP CB C 7 41.984 41.984 39.568 2.416 25693 375 1 2 . 1 1 7 7 ASP H H 7 8.347 8.347 8.498 -0.151 25693 376 1 2 . 1 1 8 8 LYS N N 8 119.939 119.939 121.884 -1.945 25693 377 1 2 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.478 -0.071 25693 378 1 2 . 1 1 8 8 LYS C C 8 178.323 178.323 175.320 3.003 25693 379 1 2 . 1 1 8 8 LYS CA C 8 56.844 56.844 55.631 1.213 25693 380 1 2 . 1 1 8 8 LYS CB C 8 31.076 31.076 34.845 -3.769 25693 381 1 2 . 1 1 8 8 LYS H H 8 8.060 8.060 7.998 0.062 25693 382 1 2 . 1 1 9 9 ARG N N 9 121.813 121.813 125.807 -3.994 25693 383 1 2 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.543 -0.074 25693 384 1 2 . 1 1 9 9 ARG C C 9 178.148 178.148 175.933 2.215 25693 385 1 2 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.187 1.592 25693 386 1 2 . 1 1 9 9 ARG CB C 9 31.062 31.062 30.171 0.891 25693 387 1 2 . 1 1 9 9 ARG H H 9 8.352 8.352 8.431 -0.079 25693 388 1 2 . 1 1 10 10 THR N N 10 116.680 116.680 114.638 2.042 25693 389 1 2 . 1 1 10 10 THR HA H 10 4.487 4.487 4.583 -0.096 25693 390 1 2 . 1 1 10 10 THR CA C 10 59.286 59.286 61.025 -1.739 25693 391 1 2 . 1 1 10 10 THR CB C 10 64.412 64.412 70.761 -6.349 25693 392 1 2 . 1 1 10 10 THR H H 10 8.263 8.263 8.454 -0.191 25693 393 1 2 . 1 1 11 11 CYS N N 11 124.443 124.443 120.788 3.655 25693 394 1 2 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.869 1.423 25693 395 1 2 . 1 1 11 11 CYS C C 11 169.873 169.873 174.601 -4.728 25693 396 1 2 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.887 -2.277 25693 397 1 2 . 1 1 11 11 CYS CB C 11 44.241 44.241 29.798 14.443 25693 398 1 2 . 1 1 11 11 CYS H H 11 8.166 8.166 8.479 -0.313 25693 399 1 2 . 1 1 12 12 VAL N N 12 118.379 118.379 121.139 -2.760 25693 400 1 2 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.657 0.056 25693 401 1 2 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.803 0.167 25693 402 1 2 . 1 1 12 12 VAL CB C 12 35.720 35.720 34.431 1.289 25693 403 1 2 . 1 1 12 12 VAL H H 12 9.190 9.190 9.155 0.035 25693 404 1 2 . 1 1 13 13 SER N N 13 118.231 118.231 119.187 -0.956 25693 405 1 2 . 1 1 13 13 SER HA H 13 5.457 5.457 5.272 0.185 25693 406 1 2 . 1 1 13 13 SER CA C 13 57.815 57.815 56.857 0.958 25693 407 1 2 . 1 1 13 13 SER CB C 13 66.744 66.744 65.759 0.985 25693 408 1 2 . 1 1 13 13 SER H H 13 8.477 8.477 8.197 0.280 25693 409 1 2 . 1 1 14 14 LEU N N 14 125.590 125.590 123.674 1.916 25693 410 1 2 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.696 0.120 25693 411 1 2 . 1 1 14 14 LEU C C 14 176.497 176.497 175.922 0.575 25693 412 1 2 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.355 0.713 25693 413 1 2 . 1 1 14 14 LEU CB C 14 45.750 45.750 46.042 -0.292 25693 414 1 2 . 1 1 14 14 LEU H H 14 9.031 9.031 9.232 -0.201 25693 415 1 2 . 1 1 15 15 THR N N 15 121.083 121.083 118.235 2.848 25693 416 1 2 . 1 1 15 15 THR HA H 15 4.870 4.870 4.705 0.165 25693 417 1 2 . 1 1 15 15 THR C C 15 171.445 171.445 173.679 -2.234 25693 418 1 2 . 1 1 15 15 THR CA C 15 62.607 62.607 61.968 0.639 25693 419 1 2 . 1 1 15 15 THR CB C 15 70.127 70.127 69.831 0.296 25693 420 1 2 . 1 1 15 15 THR H H 15 8.684 8.684 8.402 0.282 25693 421 1 2 . 1 1 16 16 THR N N 16 117.142 117.142 119.278 -2.136 25693 422 1 2 . 1 1 16 16 THR HA H 16 4.724 4.724 4.686 0.038 25693 423 1 2 . 1 1 16 16 THR CA C 16 61.091 61.091 59.303 1.788 25693 424 1 2 . 1 1 16 16 THR CB C 16 71.260 71.260 69.511 1.749 25693 425 1 2 . 1 1 16 16 THR H H 16 8.114 8.114 8.607 -0.493 25693 426 1 2 . 1 1 17 17 GLN N N 17 119.423 119.423 121.424 -2.001 25693 427 1 2 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.197 0.300 25693 428 1 2 . 1 1 17 17 GLN CA C 17 56.561 56.561 58.126 -1.565 25693 429 1 2 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.031 0.813 25693 430 1 2 . 1 1 17 17 GLN H H 17 8.260 8.260 8.691 -0.431 25693 431 1 2 . 1 1 18 18 ARG N N 18 119.630 119.630 118.400 1.230 25693 432 1 2 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.552 -0.045 25693 433 1 2 . 1 1 18 18 ARG C C 18 177.434 177.434 174.790 2.644 25693 434 1 2 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.457 1.654 25693 435 1 2 . 1 1 18 18 ARG CB C 18 30.895 30.895 29.901 0.994 25693 436 1 2 . 1 1 18 18 ARG H H 18 8.190 8.190 8.287 -0.097 25693 437 1 2 . 1 1 19 19 LEU N N 19 125.797 125.797 126.066 -0.269 25693 438 1 2 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.277 0.964 25693 439 1 2 . 1 1 19 19 LEU CB C 19 43.403 43.403 44.650 -1.247 25693 440 1 2 . 1 1 19 19 LEU H H 19 8.674 8.674 8.392 0.282 25693 441 1 2 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.703 0.085 25693 442 1 2 . 1 1 20 20 PRO C C 20 177.352 177.352 176.024 1.328 25693 443 1 2 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.350 0.796 25693 444 1 2 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.181 -2.689 25693 445 1 2 . 1 1 21 21 VAL N N 21 119.308 119.308 118.370 0.938 25693 446 1 2 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.537 -0.399 25693 447 1 2 . 1 1 21 21 VAL CA C 21 61.308 61.308 61.026 0.282 25693 448 1 2 . 1 1 21 21 VAL CB C 21 34.628 34.628 33.860 0.768 25693 449 1 2 . 1 1 21 21 VAL H H 21 7.850 7.850 7.806 0.044 25693 450 1 2 . 1 1 22 22 SER N N 22 121.709 121.709 117.143 4.566 25693 451 1 2 . 1 1 22 22 SER HA H 22 4.589 4.589 4.567 0.022 25693 452 1 2 . 1 1 22 22 SER C C 22 170.922 170.922 173.912 -2.990 25693 453 1 2 . 1 1 22 22 SER CA C 22 59.316 59.316 59.666 -0.350 25693 454 1 2 . 1 1 22 22 SER CB C 22 64.576 64.576 63.539 1.036 25693 455 1 2 . 1 1 22 22 SER H H 22 8.671 8.671 8.660 0.011 25693 456 1 2 . 1 1 23 23 ARG N N 23 120.473 120.473 119.591 0.882 25693 457 1 2 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.486 0.093 25693 458 1 2 . 1 1 23 23 ARG C C 23 171.215 171.215 174.102 -2.887 25693 459 1 2 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.286 0.110 25693 460 1 2 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.015 0.376 25693 461 1 2 . 1 1 23 23 ARG H H 23 7.828 7.828 7.561 0.267 25693 462 1 2 . 1 1 24 24 ILE N N 24 120.563 120.563 124.011 -3.448 25693 463 1 2 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.948 -0.513 25693 464 1 2 . 1 1 24 24 ILE C C 24 176.100 176.100 175.789 0.311 25693 465 1 2 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.852 2.651 25693 466 1 2 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.848 2.661 25693 467 1 2 . 1 1 24 24 ILE H H 24 8.085 8.085 8.460 -0.375 25693 468 1 2 . 1 1 25 25 LYS N N 25 127.474 127.474 128.329 -0.855 25693 469 1 2 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.678 0.093 25693 470 1 2 . 1 1 25 25 LYS C C 25 173.336 173.336 174.815 -1.479 25693 471 1 2 . 1 1 25 25 LYS CA C 25 55.120 55.120 53.981 1.139 25693 472 1 2 . 1 1 25 25 LYS CB C 25 35.825 35.825 34.866 0.959 25693 473 1 2 . 1 1 25 25 LYS H H 25 8.526 8.526 7.922 0.604 25693 474 1 2 . 1 1 26 26 THR N N 26 114.644 114.644 112.930 1.714 25693 475 1 2 . 1 1 26 26 THR HA H 26 5.512 5.512 5.483 0.029 25693 476 1 2 . 1 1 26 26 THR C C 26 169.422 169.422 173.953 -4.531 25693 477 1 2 . 1 1 26 26 THR CA C 26 60.264 60.264 59.765 0.499 25693 478 1 2 . 1 1 26 26 THR CB C 26 72.098 72.098 70.148 1.950 25693 479 1 2 . 1 1 26 26 THR H H 26 7.998 7.998 8.026 -0.028 25693 480 1 2 . 1 1 27 27 TYR N N 27 122.745 122.745 125.398 -2.653 25693 481 1 2 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.643 0.234 25693 482 1 2 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.166 0.166 25693 483 1 2 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.341 1.260 25693 484 1 2 . 1 1 27 27 TYR H H 27 8.848 8.848 8.523 0.325 25693 485 1 2 . 1 1 28 28 THR N N 28 117.167 117.167 119.744 -2.577 25693 486 1 2 . 1 1 28 28 THR HA H 28 5.005 5.005 5.461 -0.456 25693 487 1 2 . 1 1 28 28 THR C C 28 169.027 169.027 173.901 -4.874 25693 488 1 2 . 1 1 28 28 THR CA C 28 61.921 61.921 61.324 0.597 25693 489 1 2 . 1 1 28 28 THR CB C 28 70.988 70.988 70.057 0.931 25693 490 1 2 . 1 1 28 28 THR H H 28 8.532 8.532 8.499 0.033 25693 491 1 2 . 1 1 29 29 ILE N N 29 124.474 124.474 126.820 -2.346 25693 492 1 2 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.409 -0.057 25693 493 1 2 . 1 1 29 29 ILE C C 29 171.747 171.747 175.199 -3.452 25693 494 1 2 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.495 -0.290 25693 495 1 2 . 1 1 29 29 ILE CB C 29 42.025 42.025 39.999 2.026 25693 496 1 2 . 1 1 29 29 ILE H H 29 8.782 8.782 9.174 -0.392 25693 497 1 2 . 1 1 30 30 THR N N 30 120.157 120.157 118.127 2.030 25693 498 1 2 . 1 1 30 30 THR HA H 30 5.143 5.143 5.387 -0.244 25693 499 1 2 . 1 1 30 30 THR C C 30 170.054 170.054 173.835 -3.781 25693 500 1 2 . 1 1 30 30 THR CA C 30 60.664 60.664 60.143 0.521 25693 501 1 2 . 1 1 30 30 THR CB C 30 71.397 71.397 69.164 2.233 25693 502 1 2 . 1 1 30 30 THR H H 30 8.475 8.475 8.590 -0.115 25693 503 1 2 . 1 1 31 31 GLU N N 31 126.425 126.425 126.771 -0.346 25693 504 1 2 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.503 0.148 25693 505 1 2 . 1 1 31 31 GLU C C 31 176.004 176.004 176.252 -0.248 25693 506 1 2 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.880 -0.668 25693 507 1 2 . 1 1 31 31 GLU CB C 31 31.637 31.637 31.071 0.566 25693 508 1 2 . 1 1 31 31 GLU H H 31 8.589 8.589 8.593 -0.004 25693 509 1 2 . 1 1 32 32 GLY N N 32 116.534 116.534 115.921 0.613 25693 510 1 2 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.352 2.340 25693 511 1 2 . 1 1 32 32 GLY H H 32 8.996 8.996 9.052 -0.056 25693 512 1 2 . 1 1 33 33 SER HA H 33 4.452 4.452 4.069 0.383 25693 513 1 2 . 1 1 33 33 SER C C 33 173.267 173.267 173.416 -0.149 25693 514 1 2 . 1 1 33 33 SER CA C 33 59.715 59.715 59.133 0.582 25693 515 1 2 . 1 1 33 33 SER CB C 33 59.715 59.715 62.995 -3.280 25693 516 1 2 . 1 1 34 34 LEU N N 34 116.305 116.305 120.307 -4.002 25693 517 1 2 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.777 -0.116 25693 518 1 2 . 1 1 34 34 LEU C C 34 173.314 173.314 175.237 -1.923 25693 519 1 2 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.070 1.234 25693 520 1 2 . 1 1 34 34 LEU CB C 34 44.132 44.132 43.743 0.389 25693 521 1 2 . 1 1 34 34 LEU H H 34 8.425 8.425 7.629 0.796 25693 522 1 2 . 1 1 35 35 ARG N N 35 127.474 127.474 126.477 0.997 25693 523 1 2 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.419 -0.228 25693 524 1 2 . 1 1 35 35 ARG C C 35 175.720 175.720 175.176 0.544 25693 525 1 2 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.699 0.605 25693 526 1 2 . 1 1 35 35 ARG CB C 35 32.808 32.808 31.274 1.534 25693 527 1 2 . 1 1 35 35 ARG H H 35 8.560 8.560 9.362 -0.802 25693 528 1 2 . 1 1 36 36 CYS N N 36 122.335 122.335 125.005 -2.670 25693 529 1 2 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.581 0.268 25693 530 1 2 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.080 -1.241 25693 531 1 2 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.448 19.617 25693 532 1 2 . 1 1 36 36 CYS H H 36 9.179 9.179 9.251 -0.072 25693 533 1 2 . 1 1 37 37 VAL N N 37 122.327 122.327 127.079 -4.752 25693 534 1 2 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.272 -0.519 25693 535 1 2 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.739 0.367 25693 536 1 2 . 1 1 37 37 VAL CB C 37 35.159 35.159 35.151 0.007 25693 537 1 2 . 1 1 37 37 VAL H H 37 9.308 9.308 9.193 0.115 25693 538 1 2 . 1 1 38 38 ILE N N 38 126.295 126.295 125.801 0.494 25693 539 1 2 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.032 -0.184 25693 540 1 2 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.069 0.411 25693 541 1 2 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.229 0.662 25693 542 1 2 . 1 1 38 38 ILE H H 38 9.014 9.014 8.887 0.127 25693 543 1 2 . 1 1 39 39 PHE N N 39 124.882 124.882 127.180 -2.298 25693 544 1 2 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.137 0.170 25693 545 1 2 . 1 1 39 39 PHE C C 39 174.855 174.855 175.468 -0.613 25693 546 1 2 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.488 0.010 25693 547 1 2 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.113 1.394 25693 548 1 2 . 1 1 39 39 PHE H H 39 9.700 9.700 9.484 0.216 25693 549 1 2 . 1 1 40 40 ILE N N 40 124.722 124.722 126.802 -2.080 25693 550 1 2 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.496 0.226 25693 551 1 2 . 1 1 40 40 ILE C C 40 173.603 173.603 175.212 -1.609 25693 552 1 2 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.063 0.673 25693 553 1 2 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.351 0.560 25693 554 1 2 . 1 1 40 40 ILE H H 40 9.313 9.313 8.756 0.557 25693 555 1 2 . 1 1 41 41 THR N N 41 116.571 116.571 120.236 -3.665 25693 556 1 2 . 1 1 41 41 THR HA H 41 4.988 4.988 4.787 0.201 25693 557 1 2 . 1 1 41 41 THR C C 41 171.363 171.363 173.705 -2.342 25693 558 1 2 . 1 1 41 41 THR CA C 41 59.776 59.776 59.231 0.545 25693 559 1 2 . 1 1 41 41 THR CB C 41 72.930 72.930 71.457 1.473 25693 560 1 2 . 1 1 41 41 THR H H 41 8.593 8.593 8.884 -0.291 25693 561 1 2 . 1 1 42 42 LYS N N 42 116.228 116.228 121.534 -5.306 25693 562 1 2 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.602 -0.195 25693 563 1 2 . 1 1 42 42 LYS CA C 42 59.500 59.500 56.638 2.862 25693 564 1 2 . 1 1 42 42 LYS CB C 42 33.333 33.333 30.403 2.930 25693 565 1 2 . 1 1 42 42 LYS H H 42 8.597 8.597 8.680 -0.083 25693 566 1 2 . 1 1 43 43 ARG N N 43 113.916 113.916 115.280 -1.364 25693 567 1 2 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.117 0.534 25693 568 1 2 . 1 1 43 43 ARG C C 43 176.160 176.160 174.518 1.642 25693 569 1 2 . 1 1 43 43 ARG CA C 43 55.212 55.212 57.084 -1.873 25693 570 1 2 . 1 1 43 43 ARG CB C 43 31.550 31.550 29.078 2.473 25693 571 1 2 . 1 1 43 43 ARG H H 43 7.753 7.753 9.043 -1.290 25693 572 1 2 . 1 1 44 44 GLY N N 44 107.712 107.712 105.277 2.435 25693 573 1 2 . 1 1 44 44 GLY C C 44 163.798 163.798 172.204 -8.406 25693 574 1 2 . 1 1 44 44 GLY CA C 44 46.122 46.122 44.804 1.317 25693 575 1 2 . 1 1 44 44 GLY H H 44 7.498 7.498 7.914 -0.416 25693 576 1 2 . 1 1 45 45 LEU N N 45 120.948 120.948 122.116 -1.168 25693 577 1 2 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.371 0.160 25693 578 1 2 . 1 1 45 45 LEU C C 45 175.801 175.801 174.987 0.814 25693 579 1 2 . 1 1 45 45 LEU CA C 45 54.201 54.201 53.817 0.384 25693 580 1 2 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.583 0.863 25693 581 1 2 . 1 1 45 45 LEU H H 45 8.374 8.374 9.278 -0.904 25693 582 1 2 . 1 1 46 46 LYS N N 46 124.968 124.968 124.695 0.273 25693 583 1 2 . 1 1 46 46 LYS HA H 46 5.333 5.333 4.985 0.348 25693 584 1 2 . 1 1 46 46 LYS C C 46 171.169 171.169 174.150 -2.981 25693 585 1 2 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.227 0.628 25693 586 1 2 . 1 1 46 46 LYS CB C 46 36.746 36.746 36.167 0.579 25693 587 1 2 . 1 1 46 46 LYS H H 46 9.115 9.115 8.822 0.293 25693 588 1 2 . 1 1 47 47 VAL N N 47 126.006 126.006 126.826 -0.820 25693 589 1 2 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.269 -0.016 25693 590 1 2 . 1 1 47 47 VAL C C 47 173.892 173.892 173.193 0.699 25693 591 1 2 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.844 1.096 25693 592 1 2 . 1 1 47 47 VAL CB C 47 34.851 34.851 35.003 -0.152 25693 593 1 2 . 1 1 47 47 VAL H H 47 9.221 9.221 9.024 0.197 25693 594 1 2 . 1 1 48 48 CYS N N 48 123.279 123.279 128.618 -5.339 25693 595 1 2 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.009 1.031 25693 596 1 2 . 1 1 48 48 CYS C C 48 172.554 172.554 173.630 -1.076 25693 597 1 2 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.094 -2.913 25693 598 1 2 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.634 20.029 25693 599 1 2 . 1 1 48 48 CYS H H 48 9.201 9.201 9.200 0.001 25693 600 1 2 . 1 1 49 49 CYS N N 49 119.872 119.872 128.326 -8.454 25693 601 1 2 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.115 0.564 25693 602 1 2 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.302 -2.088 25693 603 1 2 . 1 1 49 49 CYS CB C 49 48.015 48.015 29.657 18.358 25693 604 1 2 . 1 1 49 49 CYS H H 49 9.117 9.117 8.999 0.118 25693 605 1 2 . 1 1 50 50 ASP N N 50 123.093 123.093 123.667 -0.574 25693 606 1 2 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.204 -0.042 25693 607 1 2 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.170 1.698 25693 608 1 2 . 1 1 50 50 ASP CB C 50 42.838 42.838 43.875 -1.037 25693 609 1 2 . 1 1 50 50 ASP H H 50 8.837 8.837 9.197 -0.360 25693 610 1 2 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.533 0.192 25693 611 1 2 . 1 1 51 51 PRO C C 51 178.489 178.489 176.770 1.719 25693 612 1 2 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.319 0.256 25693 613 1 2 . 1 1 51 51 PRO CB C 51 32.550 32.550 32.011 0.539 25693 614 1 2 . 1 1 52 52 GLN N N 52 120.594 120.594 116.084 4.510 25693 615 1 2 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.295 0.073 25693 616 1 2 . 1 1 52 52 GLN C C 52 175.779 175.779 175.432 0.347 25693 617 1 2 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.435 -0.280 25693 618 1 2 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.064 4.005 25693 619 1 2 . 1 1 52 52 GLN H H 52 8.504 8.504 8.872 -0.368 25693 620 1 2 . 1 1 53 53 ALA N N 53 124.936 124.936 125.930 -0.994 25693 621 1 2 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.327 0.015 25693 622 1 2 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.732 -0.518 25693 623 1 2 . 1 1 53 53 ALA CB C 53 19.978 19.978 19.701 0.277 25693 624 1 2 . 1 1 53 53 ALA H H 53 8.290 8.290 8.818 -0.528 25693 625 1 2 . 1 1 54 54 THR N N 54 112.200 112.200 113.396 -1.196 25693 626 1 2 . 1 1 54 54 THR HA H 54 4.318 4.318 4.586 -0.268 25693 627 1 2 . 1 1 54 54 THR CA C 54 62.594 62.594 62.062 0.532 25693 628 1 2 . 1 1 54 54 THR CB C 54 70.341 70.341 69.634 0.707 25693 629 1 2 . 1 1 54 54 THR H H 54 8.011 8.011 8.117 -0.106 25693 630 1 2 . 1 1 55 55 TRP N N 55 122.937 122.937 122.156 0.781 25693 631 1 2 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.619 0.184 25693 632 1 2 . 1 1 55 55 TRP C C 55 176.602 176.602 174.010 2.592 25693 633 1 2 . 1 1 55 55 TRP CA C 55 57.651 57.651 57.471 0.180 25693 634 1 2 . 1 1 55 55 TRP CB C 55 30.105 30.105 28.931 1.174 25693 635 1 2 . 1 1 55 55 TRP H H 55 7.979 7.979 8.152 -0.173 25693 636 1 2 . 1 1 56 56 VAL N N 56 121.829 121.829 124.489 -2.660 25693 637 1 2 . 1 1 56 56 VAL HA H 56 4.031 4.031 3.265 0.766 25693 638 1 2 . 1 1 56 56 VAL C C 56 175.779 175.779 175.020 0.759 25693 639 1 2 . 1 1 56 56 VAL CA C 56 63.060 63.060 62.522 0.539 25693 640 1 2 . 1 1 56 56 VAL CB C 56 33.012 33.012 30.173 2.839 25693 641 1 2 . 1 1 56 56 VAL H H 56 7.817 7.817 7.365 0.452 25693 642 1 2 . 1 1 57 57 ARG N N 57 123.817 123.817 127.572 -3.755 25693 643 1 2 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.420 -0.115 25693 644 1 2 . 1 1 57 57 ARG C C 57 176.484 176.484 175.204 1.280 25693 645 1 2 . 1 1 57 57 ARG CA C 57 56.741 56.741 55.409 1.332 25693 646 1 2 . 1 1 57 57 ARG CB C 57 31.502 31.502 30.518 0.984 25693 647 1 2 . 1 1 57 57 ARG H H 57 8.087 8.087 8.403 -0.316 25693 648 1 2 . 1 1 58 58 ASP N N 58 121.452 121.452 122.810 -1.358 25693 649 1 2 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.212 0.505 25693 650 1 2 . 1 1 58 58 ASP C C 58 177.508 177.508 175.763 1.745 25693 651 1 2 . 1 1 58 58 ASP CA C 58 54.966 54.966 54.868 0.098 25693 652 1 2 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.020 1.001 25693 653 1 2 . 1 1 58 58 ASP H H 58 8.240 8.240 8.260 -0.020 25693 654 1 2 . 1 1 59 59 VAL N N 59 120.104 120.104 116.789 3.315 25693 655 1 2 . 1 1 59 59 VAL HA H 59 4.167 4.167 3.825 0.342 25693 656 1 2 . 1 1 59 59 VAL C C 59 177.636 177.636 175.291 2.345 25693 657 1 2 . 1 1 59 59 VAL CA C 59 63.146 63.146 63.595 -0.449 25693 658 1 2 . 1 1 59 59 VAL CB C 59 33.377 33.377 30.687 2.690 25693 659 1 2 . 1 1 59 59 VAL H H 59 8.059 8.059 8.088 -0.029 25693 660 1 2 . 1 1 60 60 VAL N N 60 123.394 123.394 119.764 3.630 25693 661 1 2 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.914 0.229 25693 662 1 2 . 1 1 60 60 VAL C C 60 177.956 177.956 175.596 2.360 25693 663 1 2 . 1 1 60 60 VAL CA C 60 63.452 63.452 63.049 0.403 25693 664 1 2 . 1 1 60 60 VAL CB C 60 33.012 33.012 31.345 1.667 25693 665 1 2 . 1 1 60 60 VAL H H 60 8.115 8.115 7.868 0.247 25693 666 1 2 . 1 1 61 61 ARG N N 61 124.402 124.402 128.474 -4.072 25693 667 1 2 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.640 -0.007 25693 668 1 2 . 1 1 61 61 ARG C C 61 177.786 177.786 174.533 3.253 25693 669 1 2 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.590 1.123 25693 670 1 2 . 1 1 61 61 ARG CB C 61 31.306 31.306 31.827 -0.521 25693 671 1 2 . 1 1 61 61 ARG H H 61 8.350 8.350 8.527 -0.177 25693 672 1 2 . 1 1 62 62 SER N N 62 121.629 121.629 117.858 3.771 25693 673 1 2 . 1 1 62 62 SER HA H 62 4.579 4.579 4.723 -0.144 25693 674 1 2 . 1 1 62 62 SER C C 62 177.687 177.687 172.944 4.743 25693 675 1 2 . 1 1 62 62 SER CA C 62 56.270 56.270 57.596 -1.326 25693 676 1 2 . 1 1 62 62 SER CB C 62 70.537 70.537 66.073 4.464 25693 677 1 2 . 1 1 62 62 SER H H 62 8.253 8.253 8.561 -0.308 25693 678 1 2 . 1 1 63 63 MET N N 63 121.452 121.452 125.661 -4.209 25693 679 1 2 . 1 1 63 63 MET HA H 63 4.706 4.706 4.429 0.277 25693 680 1 2 . 1 1 63 63 MET C C 63 177.252 177.252 174.618 2.634 25693 681 1 2 . 1 1 63 63 MET CA C 63 54.861 54.861 55.414 -0.553 25693 682 1 2 . 1 1 63 63 MET CB C 63 31.514 31.514 32.466 -0.952 25693 683 1 2 . 1 1 63 63 MET H H 63 8.245 8.245 8.706 -0.461 25693 684 1 2 . 1 1 64 64 ASP N N 64 120.811 120.811 126.467 -5.656 25693 685 1 2 . 1 1 64 64 ASP C C 64 177.786 177.786 175.204 2.582 25693 686 1 2 . 1 1 64 64 ASP CA C 64 56.468 56.468 54.206 2.262 25693 687 1 2 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.632 -9.255 25693 688 1 2 . 1 1 64 64 ASP H H 64 8.251 8.251 8.188 0.063 25693 689 1 2 . 1 1 65 65 ARG N N 65 120.563 120.563 123.706 -3.143 25693 690 1 2 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.557 -0.088 25693 691 1 2 . 1 1 65 65 ARG C C 65 179.397 179.397 175.693 3.704 25693 692 1 2 . 1 1 65 65 ARG CA C 65 57.080 57.080 56.077 1.003 25693 693 1 2 . 1 1 65 65 ARG CB C 65 33.510 33.510 29.899 3.611 25693 694 1 2 . 1 1 65 65 ARG H H 65 8.145 8.145 8.422 -0.277 25693 695 1 3 . 1 1 2 2 GLY C C 2 176.333 176.333 174.255 2.078 25693 696 1 3 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.870 8.011 25693 697 1 3 . 1 1 3 3 SER N N 3 119.606 119.606 120.268 -0.662 25693 698 1 3 . 1 1 3 3 SER C C 3 171.619 171.619 174.084 -2.465 25693 699 1 3 . 1 1 3 3 SER CA C 3 62.684 62.684 58.969 3.715 25693 700 1 3 . 1 1 3 3 SER CB C 3 62.684 62.684 62.835 -0.151 25693 701 1 3 . 1 1 3 3 SER H H 3 8.031 8.031 8.253 -0.222 25693 702 1 3 . 1 1 4 4 GLU N N 4 122.937 122.937 124.751 -1.814 25693 703 1 3 . 1 1 4 4 GLU C C 4 178.452 178.452 174.653 3.799 25693 704 1 3 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.400 0.987 25693 705 1 3 . 1 1 4 4 GLU CB C 4 30.575 30.575 30.073 0.502 25693 706 1 3 . 1 1 4 4 GLU H H 4 7.979 7.979 8.187 -0.208 25693 707 1 3 . 1 1 5 5 VAL N N 5 120.522 120.522 119.659 0.863 25693 708 1 3 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.498 -0.229 25693 709 1 3 . 1 1 5 5 VAL CA C 5 62.840 62.840 60.849 1.991 25693 710 1 3 . 1 1 5 5 VAL CB C 5 33.194 33.194 33.971 -0.777 25693 711 1 3 . 1 1 5 5 VAL H H 5 8.185 8.185 7.910 0.275 25693 712 1 3 . 1 1 6 6 SER N N 6 119.109 119.109 118.714 0.395 25693 713 1 3 . 1 1 6 6 SER HA H 6 4.560 4.560 4.652 -0.092 25693 714 1 3 . 1 1 6 6 SER CA C 6 58.826 58.826 58.490 0.336 25693 715 1 3 . 1 1 6 6 SER CB C 6 64.865 64.865 63.642 1.223 25693 716 1 3 . 1 1 6 6 SER H H 6 8.340 8.340 8.696 -0.356 25693 717 1 3 . 1 1 7 7 ASP N N 7 122.786 122.786 121.428 1.358 25693 718 1 3 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.476 0.230 25693 719 1 3 . 1 1 7 7 ASP C C 7 177.572 177.572 177.210 0.362 25693 720 1 3 . 1 1 7 7 ASP CA C 7 54.936 54.936 56.638 -1.702 25693 721 1 3 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.492 0.492 25693 722 1 3 . 1 1 7 7 ASP H H 7 8.347 8.347 8.292 0.055 25693 723 1 3 . 1 1 8 8 LYS N N 8 119.939 119.939 119.323 0.616 25693 724 1 3 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.360 0.047 25693 725 1 3 . 1 1 8 8 LYS C C 8 178.323 178.323 176.114 2.209 25693 726 1 3 . 1 1 8 8 LYS CA C 8 56.844 56.844 56.930 -0.086 25693 727 1 3 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.475 -2.399 25693 728 1 3 . 1 1 8 8 LYS H H 8 8.060 8.060 8.498 -0.438 25693 729 1 3 . 1 1 9 9 ARG N N 9 121.813 121.813 117.988 3.825 25693 730 1 3 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.484 -0.015 25693 731 1 3 . 1 1 9 9 ARG C C 9 178.148 178.148 174.806 3.342 25693 732 1 3 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.219 1.560 25693 733 1 3 . 1 1 9 9 ARG CB C 9 31.062 31.062 33.016 -1.954 25693 734 1 3 . 1 1 9 9 ARG H H 9 8.352 8.352 8.063 0.289 25693 735 1 3 . 1 1 10 10 THR N N 10 116.680 116.680 115.502 1.178 25693 736 1 3 . 1 1 10 10 THR HA H 10 4.487 4.487 4.579 -0.092 25693 737 1 3 . 1 1 10 10 THR CA C 10 59.286 59.286 61.748 -2.462 25693 738 1 3 . 1 1 10 10 THR CB C 10 64.412 64.412 67.854 -3.442 25693 739 1 3 . 1 1 10 10 THR H H 10 8.263 8.263 8.444 -0.181 25693 740 1 3 . 1 1 11 11 CYS N N 11 124.443 124.443 123.763 0.680 25693 741 1 3 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.990 1.302 25693 742 1 3 . 1 1 11 11 CYS C C 11 169.873 169.873 174.213 -4.340 25693 743 1 3 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.891 -2.281 25693 744 1 3 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.672 13.569 25693 745 1 3 . 1 1 11 11 CYS H H 11 8.166 8.166 7.970 0.196 25693 746 1 3 . 1 1 12 12 VAL N N 12 118.379 118.379 120.730 -2.351 25693 747 1 3 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.591 0.122 25693 748 1 3 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.773 0.197 25693 749 1 3 . 1 1 12 12 VAL CB C 12 35.720 35.720 35.181 0.540 25693 750 1 3 . 1 1 12 12 VAL H H 12 9.190 9.190 9.309 -0.119 25693 751 1 3 . 1 1 13 13 SER N N 13 118.231 118.231 120.213 -1.982 25693 752 1 3 . 1 1 13 13 SER HA H 13 5.457 5.457 5.283 0.174 25693 753 1 3 . 1 1 13 13 SER CA C 13 57.815 57.815 56.707 1.108 25693 754 1 3 . 1 1 13 13 SER CB C 13 66.744 66.744 64.336 2.408 25693 755 1 3 . 1 1 13 13 SER H H 13 8.477 8.477 8.368 0.109 25693 756 1 3 . 1 1 14 14 LEU N N 14 125.590 125.590 127.045 -1.455 25693 757 1 3 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.729 0.087 25693 758 1 3 . 1 1 14 14 LEU C C 14 176.497 176.497 176.090 0.407 25693 759 1 3 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.042 1.026 25693 760 1 3 . 1 1 14 14 LEU CB C 14 45.750 45.750 44.532 1.218 25693 761 1 3 . 1 1 14 14 LEU H H 14 9.031 9.031 9.288 -0.257 25693 762 1 3 . 1 1 15 15 THR N N 15 121.083 121.083 116.695 4.388 25693 763 1 3 . 1 1 15 15 THR HA H 15 4.870 4.870 4.749 0.121 25693 764 1 3 . 1 1 15 15 THR C C 15 171.445 171.445 174.138 -2.693 25693 765 1 3 . 1 1 15 15 THR CA C 15 62.607 62.607 60.992 1.615 25693 766 1 3 . 1 1 15 15 THR CB C 15 70.127 70.127 69.593 0.534 25693 767 1 3 . 1 1 15 15 THR H H 15 8.684 8.684 8.575 0.109 25693 768 1 3 . 1 1 16 16 THR N N 16 117.142 117.142 118.960 -1.818 25693 769 1 3 . 1 1 16 16 THR HA H 16 4.724 4.724 4.519 0.205 25693 770 1 3 . 1 1 16 16 THR CA C 16 61.091 61.091 61.734 -0.644 25693 771 1 3 . 1 1 16 16 THR CB C 16 71.260 71.260 70.255 1.005 25693 772 1 3 . 1 1 16 16 THR H H 16 8.114 8.114 8.506 -0.392 25693 773 1 3 . 1 1 17 17 GLN N N 17 119.423 119.423 123.115 -3.692 25693 774 1 3 . 1 1 17 17 GLN HA H 17 4.497 4.497 3.954 0.543 25693 775 1 3 . 1 1 17 17 GLN CA C 17 56.561 56.561 56.928 -0.367 25693 776 1 3 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.730 1.114 25693 777 1 3 . 1 1 17 17 GLN H H 17 8.260 8.260 8.609 -0.349 25693 778 1 3 . 1 1 18 18 ARG N N 18 119.630 119.630 122.032 -2.402 25693 779 1 3 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.652 -0.145 25693 780 1 3 . 1 1 18 18 ARG C C 18 177.434 177.434 174.538 2.896 25693 781 1 3 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.675 1.436 25693 782 1 3 . 1 1 18 18 ARG CB C 18 30.895 30.895 31.224 -0.330 25693 783 1 3 . 1 1 18 18 ARG H H 18 8.190 8.190 8.469 -0.279 25693 784 1 3 . 1 1 19 19 LEU N N 19 125.797 125.797 125.319 0.478 25693 785 1 3 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.334 0.907 25693 786 1 3 . 1 1 19 19 LEU CB C 19 43.403 43.403 45.245 -1.841 25693 787 1 3 . 1 1 19 19 LEU H H 19 8.674 8.674 8.210 0.464 25693 788 1 3 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.562 0.226 25693 789 1 3 . 1 1 20 20 PRO C C 20 177.352 177.352 175.942 1.410 25693 790 1 3 . 1 1 20 20 PRO CA C 20 63.146 63.146 63.234 -0.088 25693 791 1 3 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.954 -2.462 25693 792 1 3 . 1 1 21 21 VAL N N 21 119.308 119.308 117.984 1.324 25693 793 1 3 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.335 -0.197 25693 794 1 3 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.335 0.973 25693 795 1 3 . 1 1 21 21 VAL CB C 21 34.628 34.628 33.371 1.257 25693 796 1 3 . 1 1 21 21 VAL H H 21 7.850 7.850 7.774 0.076 25693 797 1 3 . 1 1 22 22 SER N N 22 121.709 121.709 116.621 5.088 25693 798 1 3 . 1 1 22 22 SER HA H 22 4.589 4.589 4.409 0.180 25693 799 1 3 . 1 1 22 22 SER C C 22 170.922 170.922 174.520 -3.598 25693 800 1 3 . 1 1 22 22 SER CA C 22 59.316 59.316 59.669 -0.353 25693 801 1 3 . 1 1 22 22 SER CB C 22 64.576 64.576 63.402 1.174 25693 802 1 3 . 1 1 22 22 SER H H 22 8.671 8.671 8.470 0.201 25693 803 1 3 . 1 1 23 23 ARG N N 23 120.473 120.473 117.913 2.560 25693 804 1 3 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.431 0.148 25693 805 1 3 . 1 1 23 23 ARG C C 23 171.215 171.215 173.243 -2.028 25693 806 1 3 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.567 -0.171 25693 807 1 3 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.063 0.328 25693 808 1 3 . 1 1 23 23 ARG H H 23 7.828 7.828 7.574 0.254 25693 809 1 3 . 1 1 24 24 ILE N N 24 120.563 120.563 123.174 -2.611 25693 810 1 3 . 1 1 24 24 ILE HA H 24 4.435 4.435 5.020 -0.585 25693 811 1 3 . 1 1 24 24 ILE C C 24 176.100 176.100 175.822 0.278 25693 812 1 3 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.523 2.980 25693 813 1 3 . 1 1 24 24 ILE CB C 24 39.509 39.509 37.504 2.005 25693 814 1 3 . 1 1 24 24 ILE H H 24 8.085 8.085 8.383 -0.298 25693 815 1 3 . 1 1 25 25 LYS N N 25 127.474 127.474 128.202 -0.728 25693 816 1 3 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.689 0.082 25693 817 1 3 . 1 1 25 25 LYS C C 25 173.336 173.336 174.540 -1.204 25693 818 1 3 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.229 0.891 25693 819 1 3 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.380 0.445 25693 820 1 3 . 1 1 25 25 LYS H H 25 8.526 8.526 7.979 0.547 25693 821 1 3 . 1 1 26 26 THR N N 26 114.644 114.644 112.861 1.783 25693 822 1 3 . 1 1 26 26 THR HA H 26 5.512 5.512 5.377 0.135 25693 823 1 3 . 1 1 26 26 THR C C 26 169.422 169.422 173.960 -4.538 25693 824 1 3 . 1 1 26 26 THR CA C 26 60.264 60.264 59.725 0.539 25693 825 1 3 . 1 1 26 26 THR CB C 26 72.098 72.098 70.130 1.968 25693 826 1 3 . 1 1 26 26 THR H H 26 7.998 7.998 8.019 -0.021 25693 827 1 3 . 1 1 27 27 TYR N N 27 122.745 122.745 125.615 -2.870 25693 828 1 3 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.621 0.256 25693 829 1 3 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.057 0.274 25693 830 1 3 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.021 1.580 25693 831 1 3 . 1 1 27 27 TYR H H 27 8.848 8.848 8.534 0.314 25693 832 1 3 . 1 1 28 28 THR N N 28 117.167 117.167 120.690 -3.523 25693 833 1 3 . 1 1 28 28 THR HA H 28 5.005 5.005 5.365 -0.360 25693 834 1 3 . 1 1 28 28 THR C C 28 169.027 169.027 173.917 -4.890 25693 835 1 3 . 1 1 28 28 THR CA C 28 61.921 61.921 61.522 0.399 25693 836 1 3 . 1 1 28 28 THR CB C 28 70.988 70.988 69.740 1.248 25693 837 1 3 . 1 1 28 28 THR H H 28 8.532 8.532 8.634 -0.102 25693 838 1 3 . 1 1 29 29 ILE N N 29 124.474 124.474 129.215 -4.741 25693 839 1 3 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.384 -0.032 25693 840 1 3 . 1 1 29 29 ILE C C 29 171.747 171.747 174.973 -3.226 25693 841 1 3 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.522 -0.317 25693 842 1 3 . 1 1 29 29 ILE CB C 29 42.025 42.025 39.414 2.611 25693 843 1 3 . 1 1 29 29 ILE H H 29 8.782 8.782 9.062 -0.280 25693 844 1 3 . 1 1 30 30 THR N N 30 120.157 120.157 119.024 1.133 25693 845 1 3 . 1 1 30 30 THR HA H 30 5.143 5.143 5.189 -0.046 25693 846 1 3 . 1 1 30 30 THR C C 30 170.054 170.054 173.890 -3.836 25693 847 1 3 . 1 1 30 30 THR CA C 30 60.664 60.664 60.091 0.573 25693 848 1 3 . 1 1 30 30 THR CB C 30 71.397 71.397 69.372 2.025 25693 849 1 3 . 1 1 30 30 THR H H 30 8.475 8.475 8.644 -0.169 25693 850 1 3 . 1 1 31 31 GLU N N 31 126.425 126.425 123.907 2.518 25693 851 1 3 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.558 0.093 25693 852 1 3 . 1 1 31 31 GLU C C 31 176.004 176.004 177.030 -1.026 25693 853 1 3 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.362 -0.150 25693 854 1 3 . 1 1 31 31 GLU CB C 31 31.637 31.637 29.503 2.134 25693 855 1 3 . 1 1 31 31 GLU H H 31 8.589 8.589 8.108 0.481 25693 856 1 3 . 1 1 32 32 GLY N N 32 116.534 116.534 115.046 1.488 25693 857 1 3 . 1 1 32 32 GLY CA C 32 47.692 47.692 46.493 1.199 25693 858 1 3 . 1 1 32 32 GLY H H 32 8.996 8.996 8.784 0.212 25693 859 1 3 . 1 1 33 33 SER HA H 33 4.452 4.452 4.674 -0.222 25693 860 1 3 . 1 1 33 33 SER C C 33 173.267 173.267 172.570 0.697 25693 861 1 3 . 1 1 33 33 SER CA C 33 59.715 59.715 58.462 1.253 25693 862 1 3 . 1 1 33 33 SER CB C 33 59.715 59.715 64.380 -4.665 25693 863 1 3 . 1 1 34 34 LEU N N 34 116.305 116.305 123.797 -7.492 25693 864 1 3 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.724 -0.063 25693 865 1 3 . 1 1 34 34 LEU C C 34 173.314 173.314 174.128 -0.814 25693 866 1 3 . 1 1 34 34 LEU CA C 34 55.304 55.304 55.458 -0.154 25693 867 1 3 . 1 1 34 34 LEU CB C 34 44.132 44.132 46.181 -2.049 25693 868 1 3 . 1 1 34 34 LEU H H 34 8.425 8.425 7.973 0.452 25693 869 1 3 . 1 1 35 35 ARG N N 35 127.474 127.474 124.753 2.721 25693 870 1 3 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.100 0.091 25693 871 1 3 . 1 1 35 35 ARG C C 35 175.720 175.720 174.431 1.289 25693 872 1 3 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.761 0.543 25693 873 1 3 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.176 0.632 25693 874 1 3 . 1 1 35 35 ARG H H 35 8.560 8.560 9.295 -0.735 25693 875 1 3 . 1 1 36 36 CYS N N 36 122.335 122.335 124.958 -2.623 25693 876 1 3 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.699 0.150 25693 877 1 3 . 1 1 36 36 CYS CA C 36 55.839 55.839 56.870 -1.031 25693 878 1 3 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.744 19.321 25693 879 1 3 . 1 1 36 36 CYS H H 36 9.179 9.179 9.241 -0.062 25693 880 1 3 . 1 1 37 37 VAL N N 37 122.327 122.327 128.277 -5.950 25693 881 1 3 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.006 -0.253 25693 882 1 3 . 1 1 37 37 VAL CA C 37 61.106 61.106 61.054 0.052 25693 883 1 3 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.656 0.503 25693 884 1 3 . 1 1 37 37 VAL H H 37 9.308 9.308 8.972 0.336 25693 885 1 3 . 1 1 38 38 ILE N N 38 126.295 126.295 126.426 -0.131 25693 886 1 3 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.023 -0.175 25693 887 1 3 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.016 0.464 25693 888 1 3 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.265 0.626 25693 889 1 3 . 1 1 38 38 ILE H H 38 9.014 9.014 8.919 0.095 25693 890 1 3 . 1 1 39 39 PHE N N 39 124.882 124.882 127.485 -2.603 25693 891 1 3 . 1 1 39 39 PHE HA H 39 5.307 5.307 4.997 0.310 25693 892 1 3 . 1 1 39 39 PHE C C 39 174.855 174.855 175.410 -0.555 25693 893 1 3 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.914 -0.416 25693 894 1 3 . 1 1 39 39 PHE CB C 39 41.507 41.507 39.579 1.928 25693 895 1 3 . 1 1 39 39 PHE H H 39 9.700 9.700 9.623 0.077 25693 896 1 3 . 1 1 40 40 ILE N N 40 124.722 124.722 126.996 -2.274 25693 897 1 3 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.448 0.274 25693 898 1 3 . 1 1 40 40 ILE C C 40 173.603 173.603 175.410 -1.807 25693 899 1 3 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.120 0.616 25693 900 1 3 . 1 1 40 40 ILE CB C 40 38.911 38.911 37.989 0.923 25693 901 1 3 . 1 1 40 40 ILE H H 40 9.313 9.313 8.820 0.493 25693 902 1 3 . 1 1 41 41 THR N N 41 116.571 116.571 119.789 -3.218 25693 903 1 3 . 1 1 41 41 THR HA H 41 4.988 4.988 4.902 0.086 25693 904 1 3 . 1 1 41 41 THR C C 41 171.363 171.363 175.829 -4.466 25693 905 1 3 . 1 1 41 41 THR CA C 41 59.776 59.776 59.710 0.066 25693 906 1 3 . 1 1 41 41 THR CB C 41 72.930 72.930 71.198 1.732 25693 907 1 3 . 1 1 41 41 THR H H 41 8.593 8.593 9.118 -0.525 25693 908 1 3 . 1 1 42 42 LYS N N 42 116.228 116.228 117.524 -1.296 25693 909 1 3 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.204 0.203 25693 910 1 3 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.929 1.571 25693 911 1 3 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.805 1.528 25693 912 1 3 . 1 1 42 42 LYS H H 42 8.597 8.597 8.843 -0.246 25693 913 1 3 . 1 1 43 43 ARG N N 43 113.916 113.916 117.116 -3.200 25693 914 1 3 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.701 -0.050 25693 915 1 3 . 1 1 43 43 ARG C C 43 176.160 176.160 175.040 1.120 25693 916 1 3 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.282 -0.070 25693 917 1 3 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.016 -0.466 25693 918 1 3 . 1 1 43 43 ARG H H 43 7.753 7.753 7.427 0.326 25693 919 1 3 . 1 1 44 44 GLY N N 44 107.712 107.712 106.821 0.891 25693 920 1 3 . 1 1 44 44 GLY C C 44 163.798 163.798 171.803 -8.005 25693 921 1 3 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.809 0.313 25693 922 1 3 . 1 1 44 44 GLY H H 44 7.498 7.498 7.592 -0.094 25693 923 1 3 . 1 1 45 45 LEU N N 45 120.948 120.948 119.649 1.299 25693 924 1 3 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.550 -0.019 25693 925 1 3 . 1 1 45 45 LEU C C 45 175.801 175.801 174.952 0.849 25693 926 1 3 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.015 0.186 25693 927 1 3 . 1 1 45 45 LEU CB C 45 47.446 47.446 47.201 0.245 25693 928 1 3 . 1 1 45 45 LEU H H 45 8.374 8.374 9.020 -0.646 25693 929 1 3 . 1 1 46 46 LYS N N 46 124.968 124.968 123.650 1.318 25693 930 1 3 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.156 0.177 25693 931 1 3 . 1 1 46 46 LYS C C 46 171.169 171.169 174.269 -3.100 25693 932 1 3 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.273 0.582 25693 933 1 3 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.581 1.165 25693 934 1 3 . 1 1 46 46 LYS H H 46 9.115 9.115 9.111 0.004 25693 935 1 3 . 1 1 47 47 VAL N N 47 126.006 126.006 126.645 -0.639 25693 936 1 3 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.241 0.012 25693 937 1 3 . 1 1 47 47 VAL C C 47 173.892 173.892 173.093 0.799 25693 938 1 3 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.753 1.187 25693 939 1 3 . 1 1 47 47 VAL CB C 47 34.851 34.851 35.489 -0.638 25693 940 1 3 . 1 1 47 47 VAL H H 47 9.221 9.221 9.217 0.004 25693 941 1 3 . 1 1 48 48 CYS N N 48 123.279 123.279 128.241 -4.962 25693 942 1 3 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.004 1.036 25693 943 1 3 . 1 1 48 48 CYS C C 48 172.554 172.554 173.916 -1.362 25693 944 1 3 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.355 -3.174 25693 945 1 3 . 1 1 48 48 CYS CB C 48 48.662 48.662 27.737 20.925 25693 946 1 3 . 1 1 48 48 CYS H H 48 9.201 9.201 8.705 0.496 25693 947 1 3 . 1 1 49 49 CYS N N 49 119.872 119.872 128.222 -8.350 25693 948 1 3 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.102 0.577 25693 949 1 3 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.840 -2.627 25693 950 1 3 . 1 1 49 49 CYS CB C 49 48.015 48.015 28.631 19.384 25693 951 1 3 . 1 1 49 49 CYS H H 49 9.117 9.117 8.835 0.282 25693 952 1 3 . 1 1 50 50 ASP N N 50 123.093 123.093 123.031 0.062 25693 953 1 3 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.235 -0.073 25693 954 1 3 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.472 1.397 25693 955 1 3 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.407 -1.569 25693 956 1 3 . 1 1 50 50 ASP H H 50 8.837 8.837 9.168 -0.331 25693 957 1 3 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.442 0.283 25693 958 1 3 . 1 1 51 51 PRO C C 51 178.489 178.489 176.077 2.412 25693 959 1 3 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.677 -0.102 25693 960 1 3 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.524 1.026 25693 961 1 3 . 1 1 52 52 GLN N N 52 120.594 120.594 112.515 8.079 25693 962 1 3 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.026 0.342 25693 963 1 3 . 1 1 52 52 GLN C C 52 175.779 175.779 175.056 0.723 25693 964 1 3 . 1 1 52 52 GLN CA C 52 56.155 56.155 57.126 -0.971 25693 965 1 3 . 1 1 52 52 GLN CB C 52 30.069 30.069 25.500 4.569 25693 966 1 3 . 1 1 52 52 GLN H H 52 8.504 8.504 8.472 0.032 25693 967 1 3 . 1 1 53 53 ALA N N 53 124.936 124.936 120.379 4.557 25693 968 1 3 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.280 0.062 25693 969 1 3 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.885 -0.671 25693 970 1 3 . 1 1 53 53 ALA CB C 53 19.978 19.978 19.197 0.781 25693 971 1 3 . 1 1 53 53 ALA H H 53 8.290 8.290 8.419 -0.129 25693 972 1 3 . 1 1 54 54 THR N N 54 112.200 112.200 111.953 0.247 25693 973 1 3 . 1 1 54 54 THR HA H 54 4.318 4.318 4.351 -0.033 25693 974 1 3 . 1 1 54 54 THR CA C 54 62.594 62.594 62.446 0.148 25693 975 1 3 . 1 1 54 54 THR CB C 54 70.341 70.341 69.200 1.141 25693 976 1 3 . 1 1 54 54 THR H H 54 8.011 8.011 8.346 -0.335 25693 977 1 3 . 1 1 55 55 TRP N N 55 122.937 122.937 123.329 -0.392 25693 978 1 3 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.786 0.017 25693 979 1 3 . 1 1 55 55 TRP C C 55 176.602 176.602 175.006 1.596 25693 980 1 3 . 1 1 55 55 TRP CA C 55 57.651 57.651 56.435 1.216 25693 981 1 3 . 1 1 55 55 TRP CB C 55 30.105 30.105 29.552 0.553 25693 982 1 3 . 1 1 55 55 TRP H H 55 7.979 7.979 7.963 0.016 25693 983 1 3 . 1 1 56 56 VAL N N 56 121.829 121.829 122.553 -0.724 25693 984 1 3 . 1 1 56 56 VAL HA H 56 4.031 4.031 3.641 0.390 25693 985 1 3 . 1 1 56 56 VAL C C 56 175.779 175.779 175.914 -0.135 25693 986 1 3 . 1 1 56 56 VAL CA C 56 63.060 63.060 63.307 -0.247 25693 987 1 3 . 1 1 56 56 VAL CB C 56 33.012 33.012 32.397 0.615 25693 988 1 3 . 1 1 56 56 VAL H H 56 7.817 7.817 8.776 -0.959 25693 989 1 3 . 1 1 57 57 ARG N N 57 123.817 123.817 126.471 -2.654 25693 990 1 3 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.404 -0.099 25693 991 1 3 . 1 1 57 57 ARG C C 57 176.484 176.484 175.892 0.592 25693 992 1 3 . 1 1 57 57 ARG CA C 57 56.741 56.741 55.903 0.838 25693 993 1 3 . 1 1 57 57 ARG CB C 57 31.502 31.502 29.066 2.436 25693 994 1 3 . 1 1 57 57 ARG H H 57 8.087 8.087 8.685 -0.598 25693 995 1 3 . 1 1 58 58 ASP N N 58 121.452 121.452 124.884 -3.432 25693 996 1 3 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.794 -0.077 25693 997 1 3 . 1 1 58 58 ASP C C 58 177.508 177.508 175.006 2.502 25693 998 1 3 . 1 1 58 58 ASP CA C 58 54.966 54.966 54.551 0.415 25693 999 1 3 . 1 1 58 58 ASP CB C 58 42.021 42.021 42.829 -0.808 25693 1000 1 3 . 1 1 58 58 ASP H H 58 8.240 8.240 8.421 -0.181 25693 1001 1 3 . 1 1 59 59 VAL N N 59 120.104 120.104 123.187 -3.083 25693 1002 1 3 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.297 -0.130 25693 1003 1 3 . 1 1 59 59 VAL C C 59 177.636 177.636 174.526 3.110 25693 1004 1 3 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.156 0.990 25693 1005 1 3 . 1 1 59 59 VAL CB C 59 33.377 33.377 33.550 -0.173 25693 1006 1 3 . 1 1 59 59 VAL H H 59 8.059 8.059 7.949 0.110 25693 1007 1 3 . 1 1 60 60 VAL N N 60 123.394 123.394 119.232 4.162 25693 1008 1 3 . 1 1 60 60 VAL HA H 60 4.143 4.143 4.281 -0.138 25693 1009 1 3 . 1 1 60 60 VAL C C 60 177.956 177.956 175.254 2.702 25693 1010 1 3 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.252 1.200 25693 1011 1 3 . 1 1 60 60 VAL CB C 60 33.012 33.012 32.016 0.996 25693 1012 1 3 . 1 1 60 60 VAL H H 60 8.115 8.115 7.762 0.353 25693 1013 1 3 . 1 1 61 61 ARG N N 61 124.402 124.402 124.292 0.110 25693 1014 1 3 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.586 0.047 25693 1015 1 3 . 1 1 61 61 ARG C C 61 177.786 177.786 176.090 1.696 25693 1016 1 3 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.516 1.197 25693 1017 1 3 . 1 1 61 61 ARG CB C 61 31.306 31.306 31.952 -0.646 25693 1018 1 3 . 1 1 61 61 ARG H H 61 8.350 8.350 8.472 -0.122 25693 1019 1 3 . 1 1 62 62 SER N N 62 121.629 121.629 121.398 0.231 25693 1020 1 3 . 1 1 62 62 SER HA H 62 4.579 4.579 4.521 0.058 25693 1021 1 3 . 1 1 62 62 SER C C 62 177.687 177.687 173.809 3.878 25693 1022 1 3 . 1 1 62 62 SER CA C 62 56.270 56.270 59.230 -2.961 25693 1023 1 3 . 1 1 62 62 SER CB C 62 70.537 70.537 63.081 7.457 25693 1024 1 3 . 1 1 62 62 SER H H 62 8.253 8.253 8.875 -0.622 25693 1025 1 3 . 1 1 63 63 MET N N 63 121.452 121.452 123.240 -1.788 25693 1026 1 3 . 1 1 63 63 MET HA H 63 4.706 4.706 4.699 0.007 25693 1027 1 3 . 1 1 63 63 MET C C 63 177.252 177.252 173.929 3.323 25693 1028 1 3 . 1 1 63 63 MET CA C 63 54.861 54.861 54.653 0.208 25693 1029 1 3 . 1 1 63 63 MET CB C 63 31.514 31.514 33.414 -1.900 25693 1030 1 3 . 1 1 63 63 MET H H 63 8.245 8.245 8.081 0.164 25693 1031 1 3 . 1 1 64 64 ASP N N 64 120.811 120.811 123.952 -3.141 25693 1032 1 3 . 1 1 64 64 ASP C C 64 177.786 177.786 175.321 2.465 25693 1033 1 3 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.960 2.508 25693 1034 1 3 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.652 -9.275 25693 1035 1 3 . 1 1 64 64 ASP H H 64 8.251 8.251 8.344 -0.093 25693 1036 1 3 . 1 1 65 65 ARG N N 65 120.563 120.563 122.160 -1.597 25693 1037 1 3 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.093 0.376 25693 1038 1 3 . 1 1 65 65 ARG C C 65 179.397 179.397 174.651 4.746 25693 1039 1 3 . 1 1 65 65 ARG CA C 65 57.080 57.080 56.586 0.494 25693 1040 1 3 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.375 3.135 25693 1041 1 3 . 1 1 65 65 ARG H H 65 8.145 8.145 8.519 -0.374 25693 1042 1 4 . 1 1 2 2 GLY C C 2 176.333 176.333 174.393 1.940 25693 1043 1 4 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.647 8.234 25693 1044 1 4 . 1 1 3 3 SER N N 3 119.606 119.606 115.571 4.035 25693 1045 1 4 . 1 1 3 3 SER C C 3 171.619 171.619 174.707 -3.088 25693 1046 1 4 . 1 1 3 3 SER CA C 3 62.684 62.684 58.910 3.774 25693 1047 1 4 . 1 1 3 3 SER CB C 3 62.684 62.684 63.648 -0.964 25693 1048 1 4 . 1 1 3 3 SER H H 3 8.031 8.031 8.401 -0.370 25693 1049 1 4 . 1 1 4 4 GLU N N 4 122.937 122.937 120.055 2.882 25693 1050 1 4 . 1 1 4 4 GLU C C 4 178.452 178.452 175.174 3.278 25693 1051 1 4 . 1 1 4 4 GLU CA C 4 57.387 57.387 55.962 1.425 25693 1052 1 4 . 1 1 4 4 GLU CB C 4 30.575 30.575 30.484 0.091 25693 1053 1 4 . 1 1 4 4 GLU H H 4 7.979 7.979 8.050 -0.071 25693 1054 1 4 . 1 1 5 5 VAL N N 5 120.522 120.522 122.912 -2.390 25693 1055 1 4 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.144 0.125 25693 1056 1 4 . 1 1 5 5 VAL CA C 5 62.840 62.840 63.175 -0.335 25693 1057 1 4 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.688 0.506 25693 1058 1 4 . 1 1 5 5 VAL H H 5 8.185 8.185 8.408 -0.223 25693 1059 1 4 . 1 1 6 6 SER N N 6 119.109 119.109 116.350 2.759 25693 1060 1 4 . 1 1 6 6 SER HA H 6 4.560 4.560 4.730 -0.170 25693 1061 1 4 . 1 1 6 6 SER CA C 6 58.826 58.826 57.254 1.572 25693 1062 1 4 . 1 1 6 6 SER CB C 6 64.865 64.865 65.812 -0.947 25693 1063 1 4 . 1 1 6 6 SER H H 6 8.340 8.340 7.898 0.442 25693 1064 1 4 . 1 1 7 7 ASP N N 7 122.786 122.786 121.602 1.184 25693 1065 1 4 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.569 0.137 25693 1066 1 4 . 1 1 7 7 ASP C C 7 177.572 177.572 175.780 1.792 25693 1067 1 4 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.163 0.773 25693 1068 1 4 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.422 0.562 25693 1069 1 4 . 1 1 7 7 ASP H H 7 8.347 8.347 8.494 -0.147 25693 1070 1 4 . 1 1 8 8 LYS N N 8 119.939 119.939 125.221 -5.282 25693 1071 1 4 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.393 0.014 25693 1072 1 4 . 1 1 8 8 LYS C C 8 178.323 178.323 175.882 2.441 25693 1073 1 4 . 1 1 8 8 LYS CA C 8 56.844 56.844 54.948 1.896 25693 1074 1 4 . 1 1 8 8 LYS CB C 8 31.076 31.076 32.603 -1.527 25693 1075 1 4 . 1 1 8 8 LYS H H 8 8.060 8.060 8.354 -0.294 25693 1076 1 4 . 1 1 9 9 ARG N N 9 121.813 121.813 125.821 -4.008 25693 1077 1 4 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.493 -0.024 25693 1078 1 4 . 1 1 9 9 ARG C C 9 178.148 178.148 176.023 2.125 25693 1079 1 4 . 1 1 9 9 ARG CA C 9 56.779 56.779 54.704 2.075 25693 1080 1 4 . 1 1 9 9 ARG CB C 9 31.062 31.062 31.224 -0.163 25693 1081 1 4 . 1 1 9 9 ARG H H 9 8.352 8.352 8.101 0.251 25693 1082 1 4 . 1 1 10 10 THR N N 10 116.680 116.680 120.965 -4.285 25693 1083 1 4 . 1 1 10 10 THR HA H 10 4.487 4.487 4.392 0.095 25693 1084 1 4 . 1 1 10 10 THR CA C 10 59.286 59.286 62.551 -3.265 25693 1085 1 4 . 1 1 10 10 THR CB C 10 64.412 64.412 68.374 -3.962 25693 1086 1 4 . 1 1 10 10 THR H H 10 8.263 8.263 8.464 -0.201 25693 1087 1 4 . 1 1 11 11 CYS N N 11 124.443 124.443 124.192 0.251 25693 1088 1 4 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.932 1.360 25693 1089 1 4 . 1 1 11 11 CYS C C 11 169.873 169.873 174.003 -4.130 25693 1090 1 4 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.470 -1.860 25693 1091 1 4 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.087 14.154 25693 1092 1 4 . 1 1 11 11 CYS H H 11 8.166 8.166 8.018 0.148 25693 1093 1 4 . 1 1 12 12 VAL N N 12 118.379 118.379 120.645 -2.266 25693 1094 1 4 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.668 0.045 25693 1095 1 4 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.628 0.342 25693 1096 1 4 . 1 1 12 12 VAL CB C 12 35.720 35.720 35.535 0.185 25693 1097 1 4 . 1 1 12 12 VAL H H 12 9.190 9.190 9.257 -0.067 25693 1098 1 4 . 1 1 13 13 SER N N 13 118.231 118.231 118.566 -0.335 25693 1099 1 4 . 1 1 13 13 SER HA H 13 5.457 5.457 5.113 0.344 25693 1100 1 4 . 1 1 13 13 SER CA C 13 57.815 57.815 56.873 0.942 25693 1101 1 4 . 1 1 13 13 SER CB C 13 66.744 66.744 64.943 1.801 25693 1102 1 4 . 1 1 13 13 SER H H 13 8.477 8.477 8.271 0.206 25693 1103 1 4 . 1 1 14 14 LEU N N 14 125.590 125.590 126.432 -0.842 25693 1104 1 4 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.683 0.133 25693 1105 1 4 . 1 1 14 14 LEU C C 14 176.497 176.497 175.996 0.501 25693 1106 1 4 . 1 1 14 14 LEU CA C 14 55.068 55.068 53.977 1.091 25693 1107 1 4 . 1 1 14 14 LEU CB C 14 45.750 45.750 44.002 1.748 25693 1108 1 4 . 1 1 14 14 LEU H H 14 9.031 9.031 9.044 -0.013 25693 1109 1 4 . 1 1 15 15 THR N N 15 121.083 121.083 116.531 4.552 25693 1110 1 4 . 1 1 15 15 THR HA H 15 4.870 4.870 4.815 0.055 25693 1111 1 4 . 1 1 15 15 THR C C 15 171.445 171.445 174.108 -2.663 25693 1112 1 4 . 1 1 15 15 THR CA C 15 62.607 62.607 61.183 1.424 25693 1113 1 4 . 1 1 15 15 THR CB C 15 70.127 70.127 68.958 1.169 25693 1114 1 4 . 1 1 15 15 THR H H 15 8.684 8.684 8.495 0.189 25693 1115 1 4 . 1 1 16 16 THR N N 16 117.142 117.142 120.322 -3.180 25693 1116 1 4 . 1 1 16 16 THR HA H 16 4.724 4.724 4.413 0.311 25693 1117 1 4 . 1 1 16 16 THR CA C 16 61.091 61.091 61.677 -0.586 25693 1118 1 4 . 1 1 16 16 THR CB C 16 71.260 71.260 69.639 1.621 25693 1119 1 4 . 1 1 16 16 THR H H 16 8.114 8.114 8.072 0.042 25693 1120 1 4 . 1 1 17 17 GLN N N 17 119.423 119.423 120.313 -0.890 25693 1121 1 4 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.060 0.437 25693 1122 1 4 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.291 -0.730 25693 1123 1 4 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.337 1.507 25693 1124 1 4 . 1 1 17 17 GLN H H 17 8.260 8.260 8.568 -0.308 25693 1125 1 4 . 1 1 18 18 ARG N N 18 119.630 119.630 114.558 5.072 25693 1126 1 4 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.523 -0.016 25693 1127 1 4 . 1 1 18 18 ARG C C 18 177.434 177.434 174.507 2.927 25693 1128 1 4 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.749 1.362 25693 1129 1 4 . 1 1 18 18 ARG CB C 18 30.895 30.895 31.157 -0.262 25693 1130 1 4 . 1 1 18 18 ARG H H 18 8.190 8.190 8.501 -0.311 25693 1131 1 4 . 1 1 19 19 LEU N N 19 125.797 125.797 123.183 2.614 25693 1132 1 4 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.351 0.890 25693 1133 1 4 . 1 1 19 19 LEU CB C 19 43.403 43.403 42.238 1.165 25693 1134 1 4 . 1 1 19 19 LEU H H 19 8.674 8.674 7.832 0.842 25693 1135 1 4 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.505 0.283 25693 1136 1 4 . 1 1 20 20 PRO C C 20 177.352 177.352 175.675 1.677 25693 1137 1 4 . 1 1 20 20 PRO CA C 20 63.146 63.146 63.296 -0.150 25693 1138 1 4 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.973 -2.481 25693 1139 1 4 . 1 1 21 21 VAL N N 21 119.308 119.308 118.064 1.244 25693 1140 1 4 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.488 -0.350 25693 1141 1 4 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.067 1.241 25693 1142 1 4 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.937 -0.309 25693 1143 1 4 . 1 1 21 21 VAL H H 21 7.850 7.850 7.948 -0.098 25693 1144 1 4 . 1 1 22 22 SER N N 22 121.709 121.709 119.585 2.124 25693 1145 1 4 . 1 1 22 22 SER HA H 22 4.589 4.589 4.556 0.033 25693 1146 1 4 . 1 1 22 22 SER C C 22 170.922 170.922 173.955 -3.033 25693 1147 1 4 . 1 1 22 22 SER CA C 22 59.316 59.316 58.531 0.785 25693 1148 1 4 . 1 1 22 22 SER CB C 22 64.576 64.576 62.247 2.329 25693 1149 1 4 . 1 1 22 22 SER H H 22 8.671 8.671 8.565 0.106 25693 1150 1 4 . 1 1 23 23 ARG N N 23 120.473 120.473 121.715 -1.242 25693 1151 1 4 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.005 0.574 25693 1152 1 4 . 1 1 23 23 ARG C C 23 171.215 171.215 174.280 -3.065 25693 1153 1 4 . 1 1 23 23 ARG CA C 23 55.396 55.396 57.114 -1.718 25693 1154 1 4 . 1 1 23 23 ARG CB C 23 32.391 32.391 28.972 3.419 25693 1155 1 4 . 1 1 23 23 ARG H H 23 7.828 7.828 7.876 -0.048 25693 1156 1 4 . 1 1 24 24 ILE N N 24 120.563 120.563 122.329 -1.766 25693 1157 1 4 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.753 -0.318 25693 1158 1 4 . 1 1 24 24 ILE C C 24 176.100 176.100 176.557 -0.457 25693 1159 1 4 . 1 1 24 24 ILE CA C 24 62.503 62.503 60.179 2.324 25693 1160 1 4 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.789 2.720 25693 1161 1 4 . 1 1 24 24 ILE H H 24 8.085 8.085 8.375 -0.290 25693 1162 1 4 . 1 1 25 25 LYS N N 25 127.474 127.474 127.763 -0.289 25693 1163 1 4 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.628 0.143 25693 1164 1 4 . 1 1 25 25 LYS C C 25 173.336 173.336 175.233 -1.897 25693 1165 1 4 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.734 0.386 25693 1166 1 4 . 1 1 25 25 LYS CB C 25 35.825 35.825 34.561 1.264 25693 1167 1 4 . 1 1 25 25 LYS H H 25 8.526 8.526 7.882 0.644 25693 1168 1 4 . 1 1 26 26 THR N N 26 114.644 114.644 113.216 1.428 25693 1169 1 4 . 1 1 26 26 THR HA H 26 5.512 5.512 5.490 0.022 25693 1170 1 4 . 1 1 26 26 THR C C 26 169.422 169.422 173.802 -4.380 25693 1171 1 4 . 1 1 26 26 THR CA C 26 60.264 60.264 59.609 0.654 25693 1172 1 4 . 1 1 26 26 THR CB C 26 72.098 72.098 70.117 1.981 25693 1173 1 4 . 1 1 26 26 THR H H 26 7.998 7.998 7.991 0.007 25693 1174 1 4 . 1 1 27 27 TYR N N 27 122.745 122.745 126.031 -3.286 25693 1175 1 4 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.652 0.225 25693 1176 1 4 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.087 0.243 25693 1177 1 4 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.541 1.060 25693 1178 1 4 . 1 1 27 27 TYR H H 27 8.848 8.848 8.648 0.200 25693 1179 1 4 . 1 1 28 28 THR N N 28 117.167 117.167 119.516 -2.349 25693 1180 1 4 . 1 1 28 28 THR HA H 28 5.005 5.005 5.306 -0.301 25693 1181 1 4 . 1 1 28 28 THR C C 28 169.027 169.027 173.830 -4.803 25693 1182 1 4 . 1 1 28 28 THR CA C 28 61.921 61.921 61.450 0.471 25693 1183 1 4 . 1 1 28 28 THR CB C 28 70.988 70.988 70.066 0.922 25693 1184 1 4 . 1 1 28 28 THR H H 28 8.532 8.532 8.554 -0.022 25693 1185 1 4 . 1 1 29 29 ILE N N 29 124.474 124.474 128.721 -4.247 25693 1186 1 4 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.399 -0.047 25693 1187 1 4 . 1 1 29 29 ILE C C 29 171.747 171.747 174.896 -3.149 25693 1188 1 4 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.396 -0.191 25693 1189 1 4 . 1 1 29 29 ILE CB C 29 42.025 42.025 39.806 2.219 25693 1190 1 4 . 1 1 29 29 ILE H H 29 8.782 8.782 9.177 -0.395 25693 1191 1 4 . 1 1 30 30 THR N N 30 120.157 120.157 118.908 1.249 25693 1192 1 4 . 1 1 30 30 THR HA H 30 5.143 5.143 5.429 -0.286 25693 1193 1 4 . 1 1 30 30 THR C C 30 170.054 170.054 173.884 -3.830 25693 1194 1 4 . 1 1 30 30 THR CA C 30 60.664 60.664 60.011 0.653 25693 1195 1 4 . 1 1 30 30 THR CB C 30 71.397 71.397 69.915 1.482 25693 1196 1 4 . 1 1 30 30 THR H H 30 8.475 8.475 8.591 -0.116 25693 1197 1 4 . 1 1 31 31 GLU N N 31 126.425 126.425 124.428 1.997 25693 1198 1 4 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.635 0.016 25693 1199 1 4 . 1 1 31 31 GLU C C 31 176.004 176.004 176.722 -0.718 25693 1200 1 4 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.774 -0.562 25693 1201 1 4 . 1 1 31 31 GLU CB C 31 31.637 31.637 31.284 0.353 25693 1202 1 4 . 1 1 31 31 GLU H H 31 8.589 8.589 8.757 -0.168 25693 1203 1 4 . 1 1 32 32 GLY N N 32 116.534 116.534 114.602 1.932 25693 1204 1 4 . 1 1 32 32 GLY CA C 32 47.692 47.692 47.218 0.475 25693 1205 1 4 . 1 1 32 32 GLY H H 32 8.996 8.996 8.900 0.096 25693 1206 1 4 . 1 1 33 33 SER HA H 33 4.452 4.452 4.739 -0.287 25693 1207 1 4 . 1 1 33 33 SER C C 33 173.267 173.267 172.896 0.371 25693 1208 1 4 . 1 1 33 33 SER CA C 33 59.715 59.715 58.135 1.580 25693 1209 1 4 . 1 1 33 33 SER CB C 33 59.715 59.715 65.021 -5.306 25693 1210 1 4 . 1 1 34 34 LEU N N 34 116.305 116.305 124.637 -8.332 25693 1211 1 4 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.732 -0.071 25693 1212 1 4 . 1 1 34 34 LEU C C 34 173.314 173.314 174.481 -1.167 25693 1213 1 4 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.065 1.239 25693 1214 1 4 . 1 1 34 34 LEU CB C 34 44.132 44.132 44.019 0.113 25693 1215 1 4 . 1 1 34 34 LEU H H 34 8.425 8.425 8.396 0.029 25693 1216 1 4 . 1 1 35 35 ARG N N 35 127.474 127.474 125.551 1.923 25693 1217 1 4 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.507 -0.316 25693 1218 1 4 . 1 1 35 35 ARG C C 35 175.720 175.720 174.623 1.097 25693 1219 1 4 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.513 0.791 25693 1220 1 4 . 1 1 35 35 ARG CB C 35 32.808 32.808 33.349 -0.541 25693 1221 1 4 . 1 1 35 35 ARG H H 35 8.560 8.560 9.091 -0.531 25693 1222 1 4 . 1 1 36 36 CYS N N 36 122.335 122.335 121.736 0.599 25693 1223 1 4 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.676 0.173 25693 1224 1 4 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.378 -1.539 25693 1225 1 4 . 1 1 36 36 CYS CB C 36 50.065 50.065 31.320 18.745 25693 1226 1 4 . 1 1 36 36 CYS H H 36 9.179 9.179 9.127 0.052 25693 1227 1 4 . 1 1 37 37 VAL N N 37 122.327 122.327 126.807 -4.480 25693 1228 1 4 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.130 -0.377 25693 1229 1 4 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.868 0.238 25693 1230 1 4 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.961 0.198 25693 1231 1 4 . 1 1 37 37 VAL H H 37 9.308 9.308 9.129 0.179 25693 1232 1 4 . 1 1 38 38 ILE N N 38 126.295 126.295 126.067 0.228 25693 1233 1 4 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.812 0.036 25693 1234 1 4 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.335 0.145 25693 1235 1 4 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.008 0.883 25693 1236 1 4 . 1 1 38 38 ILE H H 38 9.014 9.014 9.051 -0.037 25693 1237 1 4 . 1 1 39 39 PHE N N 39 124.882 124.882 127.357 -2.475 25693 1238 1 4 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.156 0.151 25693 1239 1 4 . 1 1 39 39 PHE C C 39 174.855 174.855 175.326 -0.471 25693 1240 1 4 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.361 0.137 25693 1241 1 4 . 1 1 39 39 PHE CB C 39 41.507 41.507 39.903 1.604 25693 1242 1 4 . 1 1 39 39 PHE H H 39 9.700 9.700 9.696 0.004 25693 1243 1 4 . 1 1 40 40 ILE N N 40 124.722 124.722 126.956 -2.234 25693 1244 1 4 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.391 0.331 25693 1245 1 4 . 1 1 40 40 ILE C C 40 173.603 173.603 175.360 -1.757 25693 1246 1 4 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.246 0.490 25693 1247 1 4 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.168 0.743 25693 1248 1 4 . 1 1 40 40 ILE H H 40 9.313 9.313 9.160 0.153 25693 1249 1 4 . 1 1 41 41 THR N N 41 116.571 116.571 118.667 -2.096 25693 1250 1 4 . 1 1 41 41 THR HA H 41 4.988 4.988 4.854 0.134 25693 1251 1 4 . 1 1 41 41 THR C C 41 171.363 171.363 175.247 -3.884 25693 1252 1 4 . 1 1 41 41 THR CA C 41 59.776 59.776 59.782 -0.006 25693 1253 1 4 . 1 1 41 41 THR CB C 41 72.930 72.930 71.728 1.202 25693 1254 1 4 . 1 1 41 41 THR H H 41 8.593 8.593 9.229 -0.636 25693 1255 1 4 . 1 1 42 42 LYS N N 42 116.228 116.228 120.659 -4.431 25693 1256 1 4 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.218 0.189 25693 1257 1 4 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.724 1.776 25693 1258 1 4 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.277 2.056 25693 1259 1 4 . 1 1 42 42 LYS H H 42 8.597 8.597 8.837 -0.240 25693 1260 1 4 . 1 1 43 43 ARG N N 43 113.916 113.916 117.605 -3.689 25693 1261 1 4 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.716 -0.065 25693 1262 1 4 . 1 1 43 43 ARG C C 43 176.160 176.160 175.275 0.885 25693 1263 1 4 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.227 -0.015 25693 1264 1 4 . 1 1 43 43 ARG CB C 43 31.550 31.550 31.519 0.031 25693 1265 1 4 . 1 1 43 43 ARG H H 43 7.753 7.753 7.438 0.315 25693 1266 1 4 . 1 1 44 44 GLY N N 44 107.712 107.712 107.362 0.350 25693 1267 1 4 . 1 1 44 44 GLY C C 44 163.798 163.798 172.054 -8.256 25693 1268 1 4 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.196 0.926 25693 1269 1 4 . 1 1 44 44 GLY H H 44 7.498 7.498 7.845 -0.347 25693 1270 1 4 . 1 1 45 45 LEU N N 45 120.948 120.948 120.070 0.878 25693 1271 1 4 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.380 0.151 25693 1272 1 4 . 1 1 45 45 LEU C C 45 175.801 175.801 175.085 0.716 25693 1273 1 4 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.063 0.138 25693 1274 1 4 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.486 0.960 25693 1275 1 4 . 1 1 45 45 LEU H H 45 8.374 8.374 8.447 -0.073 25693 1276 1 4 . 1 1 46 46 LYS N N 46 124.968 124.968 123.681 1.287 25693 1277 1 4 . 1 1 46 46 LYS HA H 46 5.333 5.333 4.995 0.338 25693 1278 1 4 . 1 1 46 46 LYS C C 46 171.169 171.169 174.049 -2.880 25693 1279 1 4 . 1 1 46 46 LYS CA C 46 55.855 55.855 54.757 1.099 25693 1280 1 4 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.251 1.496 25693 1281 1 4 . 1 1 46 46 LYS H H 46 9.115 9.115 9.133 -0.018 25693 1282 1 4 . 1 1 47 47 VAL N N 47 126.006 126.006 127.052 -1.046 25693 1283 1 4 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.304 -0.051 25693 1284 1 4 . 1 1 47 47 VAL C C 47 173.892 173.892 173.140 0.752 25693 1285 1 4 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.910 1.030 25693 1286 1 4 . 1 1 47 47 VAL CB C 47 34.851 34.851 35.432 -0.581 25693 1287 1 4 . 1 1 47 47 VAL H H 47 9.221 9.221 9.235 -0.014 25693 1288 1 4 . 1 1 48 48 CYS N N 48 123.279 123.279 128.328 -5.049 25693 1289 1 4 . 1 1 48 48 CYS HA H 48 6.040 6.040 4.989 1.050 25693 1290 1 4 . 1 1 48 48 CYS C C 48 172.554 172.554 173.782 -1.228 25693 1291 1 4 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.122 -2.941 25693 1292 1 4 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.128 20.534 25693 1293 1 4 . 1 1 48 48 CYS H H 48 9.201 9.201 9.082 0.119 25693 1294 1 4 . 1 1 49 49 CYS N N 49 119.872 119.872 128.575 -8.703 25693 1295 1 4 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.180 0.499 25693 1296 1 4 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.565 -2.351 25693 1297 1 4 . 1 1 49 49 CYS CB C 49 48.015 48.015 28.642 19.373 25693 1298 1 4 . 1 1 49 49 CYS H H 49 9.117 9.117 9.014 0.103 25693 1299 1 4 . 1 1 50 50 ASP N N 50 123.093 123.093 124.260 -1.167 25693 1300 1 4 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.062 0.100 25693 1301 1 4 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.852 1.017 25693 1302 1 4 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.507 -1.669 25693 1303 1 4 . 1 1 50 50 ASP H H 50 8.837 8.837 9.253 -0.416 25693 1304 1 4 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.695 0.030 25693 1305 1 4 . 1 1 51 51 PRO C C 51 178.489 178.489 177.391 1.098 25693 1306 1 4 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.636 -0.061 25693 1307 1 4 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.439 1.111 25693 1308 1 4 . 1 1 52 52 GLN N N 52 120.594 120.594 115.653 4.941 25693 1309 1 4 . 1 1 52 52 GLN HA H 52 4.368 4.368 3.925 0.443 25693 1310 1 4 . 1 1 52 52 GLN C C 52 175.779 175.779 176.247 -0.468 25693 1311 1 4 . 1 1 52 52 GLN CA C 52 56.155 56.155 58.667 -2.512 25693 1312 1 4 . 1 1 52 52 GLN CB C 52 30.069 30.069 27.142 2.927 25693 1313 1 4 . 1 1 52 52 GLN H H 52 8.504 8.504 8.649 -0.145 25693 1314 1 4 . 1 1 53 53 ALA N N 53 124.936 124.936 121.972 2.964 25693 1315 1 4 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.095 0.247 25693 1316 1 4 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.456 -0.242 25693 1317 1 4 . 1 1 53 53 ALA CB C 53 19.978 19.978 17.847 2.131 25693 1318 1 4 . 1 1 53 53 ALA H H 53 8.290 8.290 8.311 -0.021 25693 1319 1 4 . 1 1 54 54 THR N N 54 112.200 112.200 107.984 4.216 25693 1320 1 4 . 1 1 54 54 THR HA H 54 4.318 4.318 3.820 0.498 25693 1321 1 4 . 1 1 54 54 THR CA C 54 62.594 62.594 64.013 -1.419 25693 1322 1 4 . 1 1 54 54 THR CB C 54 70.341 70.341 67.087 3.254 25693 1323 1 4 . 1 1 54 54 THR H H 54 8.011 8.011 8.381 -0.370 25693 1324 1 4 . 1 1 55 55 TRP N N 55 122.937 122.937 119.195 3.742 25693 1325 1 4 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.473 0.330 25693 1326 1 4 . 1 1 55 55 TRP C C 55 176.602 176.602 176.682 -0.080 25693 1327 1 4 . 1 1 55 55 TRP CA C 55 57.651 57.651 59.248 -1.597 25693 1328 1 4 . 1 1 55 55 TRP CB C 55 30.105 30.105 29.707 0.397 25693 1329 1 4 . 1 1 55 55 TRP H H 55 7.979 7.979 8.034 -0.055 25693 1330 1 4 . 1 1 56 56 VAL N N 56 121.829 121.829 117.397 4.432 25693 1331 1 4 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.302 -0.271 25693 1332 1 4 . 1 1 56 56 VAL C C 56 175.779 175.779 175.728 0.051 25693 1333 1 4 . 1 1 56 56 VAL CA C 56 63.060 63.060 60.283 2.777 25693 1334 1 4 . 1 1 56 56 VAL CB C 56 33.012 33.012 33.651 -0.639 25693 1335 1 4 . 1 1 56 56 VAL H H 56 7.817 7.817 7.673 0.144 25693 1336 1 4 . 1 1 57 57 ARG N N 57 123.817 123.817 122.676 1.141 25693 1337 1 4 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.319 -0.014 25693 1338 1 4 . 1 1 57 57 ARG C C 57 176.484 176.484 175.704 0.780 25693 1339 1 4 . 1 1 57 57 ARG CA C 57 56.741 56.741 55.682 1.059 25693 1340 1 4 . 1 1 57 57 ARG CB C 57 31.502 31.502 30.818 0.684 25693 1341 1 4 . 1 1 57 57 ARG H H 57 8.087 8.087 8.527 -0.440 25693 1342 1 4 . 1 1 58 58 ASP N N 58 121.452 121.452 121.907 -0.455 25693 1343 1 4 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.706 0.011 25693 1344 1 4 . 1 1 58 58 ASP C C 58 177.508 177.508 176.202 1.306 25693 1345 1 4 . 1 1 58 58 ASP CA C 58 54.966 54.966 54.193 0.773 25693 1346 1 4 . 1 1 58 58 ASP CB C 58 42.021 42.021 40.176 1.845 25693 1347 1 4 . 1 1 58 58 ASP H H 58 8.240 8.240 8.551 -0.311 25693 1348 1 4 . 1 1 59 59 VAL N N 59 120.104 120.104 121.639 -1.535 25693 1349 1 4 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.058 0.109 25693 1350 1 4 . 1 1 59 59 VAL C C 59 177.636 177.636 175.516 2.120 25693 1351 1 4 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.049 1.097 25693 1352 1 4 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.570 0.807 25693 1353 1 4 . 1 1 59 59 VAL H H 59 8.059 8.059 7.888 0.171 25693 1354 1 4 . 1 1 60 60 VAL N N 60 123.394 123.394 120.522 2.872 25693 1355 1 4 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.937 0.206 25693 1356 1 4 . 1 1 60 60 VAL C C 60 177.956 177.956 175.469 2.487 25693 1357 1 4 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.934 0.518 25693 1358 1 4 . 1 1 60 60 VAL CB C 60 33.012 33.012 31.221 1.791 25693 1359 1 4 . 1 1 60 60 VAL H H 60 8.115 8.115 7.782 0.333 25693 1360 1 4 . 1 1 61 61 ARG N N 61 124.402 124.402 128.183 -3.781 25693 1361 1 4 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.193 0.440 25693 1362 1 4 . 1 1 61 61 ARG C C 61 177.786 177.786 175.068 2.718 25693 1363 1 4 . 1 1 61 61 ARG CA C 61 56.713 56.713 56.615 0.098 25693 1364 1 4 . 1 1 61 61 ARG CB C 61 31.306 31.306 28.708 2.598 25693 1365 1 4 . 1 1 61 61 ARG H H 61 8.350 8.350 8.492 -0.142 25693 1366 1 4 . 1 1 62 62 SER N N 62 121.629 121.629 117.156 4.473 25693 1367 1 4 . 1 1 62 62 SER HA H 62 4.579 4.579 4.399 0.180 25693 1368 1 4 . 1 1 62 62 SER C C 62 177.687 177.687 174.642 3.045 25693 1369 1 4 . 1 1 62 62 SER CA C 62 56.270 56.270 57.953 -1.683 25693 1370 1 4 . 1 1 62 62 SER CB C 62 70.537 70.537 64.029 6.508 25693 1371 1 4 . 1 1 62 62 SER H H 62 8.253 8.253 8.593 -0.340 25693 1372 1 4 . 1 1 63 63 MET N N 63 121.452 121.452 119.627 1.825 25693 1373 1 4 . 1 1 63 63 MET HA H 63 4.706 4.706 4.202 0.504 25693 1374 1 4 . 1 1 63 63 MET C C 63 177.252 177.252 174.065 3.187 25693 1375 1 4 . 1 1 63 63 MET CA C 63 54.861 54.861 56.455 -1.593 25693 1376 1 4 . 1 1 63 63 MET CB C 63 31.514 31.514 32.195 -0.681 25693 1377 1 4 . 1 1 63 63 MET H H 63 8.245 8.245 7.616 0.629 25693 1378 1 4 . 1 1 64 64 ASP N N 64 120.811 120.811 125.713 -4.902 25693 1379 1 4 . 1 1 64 64 ASP C C 64 177.786 177.786 175.730 2.056 25693 1380 1 4 . 1 1 64 64 ASP CA C 64 56.468 56.468 52.812 3.656 25693 1381 1 4 . 1 1 64 64 ASP CB C 64 33.377 33.377 43.099 -9.722 25693 1382 1 4 . 1 1 64 64 ASP H H 64 8.251 8.251 8.475 -0.224 25693 1383 1 4 . 1 1 65 65 ARG N N 65 120.563 120.563 120.427 0.136 25693 1384 1 4 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.179 0.290 25693 1385 1 4 . 1 1 65 65 ARG C C 65 179.397 179.397 176.953 2.444 25693 1386 1 4 . 1 1 65 65 ARG CA C 65 57.080 57.080 57.013 0.068 25693 1387 1 4 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.869 2.641 25693 1388 1 4 . 1 1 65 65 ARG H H 65 8.145 8.145 8.423 -0.278 25693 1389 1 5 . 1 1 2 2 GLY C C 2 176.333 176.333 174.110 2.223 25693 1390 1 5 . 1 1 2 2 GLY CA C 2 52.881 52.881 45.064 7.817 25693 1391 1 5 . 1 1 3 3 SER N N 3 119.606 119.606 118.182 1.424 25693 1392 1 5 . 1 1 3 3 SER C C 3 171.619 171.619 172.793 -1.174 25693 1393 1 5 . 1 1 3 3 SER CA C 3 62.684 62.684 58.215 4.469 25693 1394 1 5 . 1 1 3 3 SER CB C 3 62.684 62.684 64.782 -2.098 25693 1395 1 5 . 1 1 3 3 SER H H 3 8.031 8.031 8.429 -0.398 25693 1396 1 5 . 1 1 4 4 GLU N N 4 122.937 122.937 123.637 -0.700 25693 1397 1 5 . 1 1 4 4 GLU C C 4 178.452 178.452 176.717 1.735 25693 1398 1 5 . 1 1 4 4 GLU CA C 4 57.387 57.387 55.832 1.555 25693 1399 1 5 . 1 1 4 4 GLU CB C 4 30.575 30.575 30.249 0.326 25693 1400 1 5 . 1 1 4 4 GLU H H 4 7.979 7.979 8.244 -0.265 25693 1401 1 5 . 1 1 5 5 VAL N N 5 120.522 120.522 120.563 -0.041 25693 1402 1 5 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.248 0.021 25693 1403 1 5 . 1 1 5 5 VAL CA C 5 62.840 62.840 62.629 0.211 25693 1404 1 5 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.374 0.820 25693 1405 1 5 . 1 1 5 5 VAL H H 5 8.185 8.185 8.339 -0.154 25693 1406 1 5 . 1 1 6 6 SER N N 6 119.109 119.109 118.841 0.268 25693 1407 1 5 . 1 1 6 6 SER HA H 6 4.560 4.560 4.755 -0.195 25693 1408 1 5 . 1 1 6 6 SER CA C 6 58.826 58.826 57.700 1.127 25693 1409 1 5 . 1 1 6 6 SER CB C 6 64.865 64.865 64.518 0.347 25693 1410 1 5 . 1 1 6 6 SER H H 6 8.340 8.340 8.391 -0.051 25693 1411 1 5 . 1 1 7 7 ASP N N 7 122.786 122.786 122.420 0.366 25693 1412 1 5 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.979 -0.273 25693 1413 1 5 . 1 1 7 7 ASP C C 7 177.572 177.572 175.890 1.682 25693 1414 1 5 . 1 1 7 7 ASP CA C 7 54.936 54.936 53.705 1.231 25693 1415 1 5 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.840 0.144 25693 1416 1 5 . 1 1 7 7 ASP H H 7 8.347 8.347 8.436 -0.089 25693 1417 1 5 . 1 1 8 8 LYS N N 8 119.939 119.939 118.462 1.477 25693 1418 1 5 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.229 0.178 25693 1419 1 5 . 1 1 8 8 LYS C C 8 178.323 178.323 176.424 1.899 25693 1420 1 5 . 1 1 8 8 LYS CA C 8 56.844 56.844 57.183 -0.339 25693 1421 1 5 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.219 -2.143 25693 1422 1 5 . 1 1 8 8 LYS H H 8 8.060 8.060 8.428 -0.368 25693 1423 1 5 . 1 1 9 9 ARG N N 9 121.813 121.813 120.677 1.136 25693 1424 1 5 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.492 -0.023 25693 1425 1 5 . 1 1 9 9 ARG C C 9 178.148 178.148 176.122 2.026 25693 1426 1 5 . 1 1 9 9 ARG CA C 9 56.779 56.779 54.507 2.272 25693 1427 1 5 . 1 1 9 9 ARG CB C 9 31.062 31.062 30.419 0.643 25693 1428 1 5 . 1 1 9 9 ARG H H 9 8.352 8.352 7.637 0.715 25693 1429 1 5 . 1 1 10 10 THR N N 10 116.680 116.680 115.405 1.275 25693 1430 1 5 . 1 1 10 10 THR HA H 10 4.487 4.487 4.618 -0.131 25693 1431 1 5 . 1 1 10 10 THR CA C 10 59.286 59.286 61.511 -2.225 25693 1432 1 5 . 1 1 10 10 THR CB C 10 64.412 64.412 69.316 -4.904 25693 1433 1 5 . 1 1 10 10 THR H H 10 8.263 8.263 8.016 0.247 25693 1434 1 5 . 1 1 11 11 CYS N N 11 124.443 124.443 125.740 -1.297 25693 1435 1 5 . 1 1 11 11 CYS HA H 11 6.292 6.292 5.267 1.025 25693 1436 1 5 . 1 1 11 11 CYS C C 11 169.873 169.873 173.867 -3.994 25693 1437 1 5 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.204 -1.594 25693 1438 1 5 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.212 14.029 25693 1439 1 5 . 1 1 11 11 CYS H H 11 8.166 8.166 8.704 -0.538 25693 1440 1 5 . 1 1 12 12 VAL N N 12 118.379 118.379 119.760 -1.381 25693 1441 1 5 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.744 -0.031 25693 1442 1 5 . 1 1 12 12 VAL CA C 12 60.970 60.970 59.645 1.325 25693 1443 1 5 . 1 1 12 12 VAL CB C 12 35.720 35.720 35.111 0.609 25693 1444 1 5 . 1 1 12 12 VAL H H 12 9.190 9.190 9.295 -0.105 25693 1445 1 5 . 1 1 13 13 SER N N 13 118.231 118.231 118.285 -0.054 25693 1446 1 5 . 1 1 13 13 SER HA H 13 5.457 5.457 5.312 0.145 25693 1447 1 5 . 1 1 13 13 SER CA C 13 57.815 57.815 57.157 0.658 25693 1448 1 5 . 1 1 13 13 SER CB C 13 66.744 66.744 64.900 1.844 25693 1449 1 5 . 1 1 13 13 SER H H 13 8.477 8.477 8.243 0.234 25693 1450 1 5 . 1 1 14 14 LEU N N 14 125.590 125.590 126.781 -1.191 25693 1451 1 5 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.666 0.150 25693 1452 1 5 . 1 1 14 14 LEU C C 14 176.497 176.497 176.101 0.396 25693 1453 1 5 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.035 1.033 25693 1454 1 5 . 1 1 14 14 LEU CB C 14 45.750 45.750 44.731 1.019 25693 1455 1 5 . 1 1 14 14 LEU H H 14 9.031 9.031 9.185 -0.154 25693 1456 1 5 . 1 1 15 15 THR N N 15 121.083 121.083 120.470 0.613 25693 1457 1 5 . 1 1 15 15 THR HA H 15 4.870 4.870 4.589 0.281 25693 1458 1 5 . 1 1 15 15 THR C C 15 171.445 171.445 174.120 -2.675 25693 1459 1 5 . 1 1 15 15 THR CA C 15 62.607 62.607 62.415 0.192 25693 1460 1 5 . 1 1 15 15 THR CB C 15 70.127 70.127 69.683 0.444 25693 1461 1 5 . 1 1 15 15 THR H H 15 8.684 8.684 8.498 0.186 25693 1462 1 5 . 1 1 16 16 THR N N 16 117.142 117.142 120.066 -2.924 25693 1463 1 5 . 1 1 16 16 THR HA H 16 4.724 4.724 4.450 0.274 25693 1464 1 5 . 1 1 16 16 THR CA C 16 61.091 61.091 61.359 -0.268 25693 1465 1 5 . 1 1 16 16 THR CB C 16 71.260 71.260 69.365 1.895 25693 1466 1 5 . 1 1 16 16 THR H H 16 8.114 8.114 8.153 -0.039 25693 1467 1 5 . 1 1 17 17 GLN N N 17 119.423 119.423 121.337 -1.914 25693 1468 1 5 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.056 0.441 25693 1469 1 5 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.178 -0.617 25693 1470 1 5 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.828 1.016 25693 1471 1 5 . 1 1 17 17 GLN H H 17 8.260 8.260 8.566 -0.306 25693 1472 1 5 . 1 1 18 18 ARG N N 18 119.630 119.630 117.645 1.985 25693 1473 1 5 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.362 0.145 25693 1474 1 5 . 1 1 18 18 ARG C C 18 177.434 177.434 174.851 2.583 25693 1475 1 5 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.845 1.266 25693 1476 1 5 . 1 1 18 18 ARG CB C 18 30.895 30.895 31.015 -0.120 25693 1477 1 5 . 1 1 18 18 ARG H H 18 8.190 8.190 8.493 -0.303 25693 1478 1 5 . 1 1 19 19 LEU N N 19 125.797 125.797 124.462 1.335 25693 1479 1 5 . 1 1 19 19 LEU CA C 19 52.241 52.241 52.136 0.104 25693 1480 1 5 . 1 1 19 19 LEU CB C 19 43.403 43.403 41.196 2.207 25693 1481 1 5 . 1 1 19 19 LEU H H 19 8.674 8.674 7.732 0.942 25693 1482 1 5 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.390 0.398 25693 1483 1 5 . 1 1 20 20 PRO C C 20 177.352 177.352 176.327 1.025 25693 1484 1 5 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.666 0.480 25693 1485 1 5 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.080 -2.588 25693 1486 1 5 . 1 1 21 21 VAL N N 21 119.308 119.308 118.268 1.040 25693 1487 1 5 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.344 -0.206 25693 1488 1 5 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.679 0.629 25693 1489 1 5 . 1 1 21 21 VAL CB C 21 34.628 34.628 33.051 1.577 25693 1490 1 5 . 1 1 21 21 VAL H H 21 7.850 7.850 7.945 -0.095 25693 1491 1 5 . 1 1 22 22 SER N N 22 121.709 121.709 117.416 4.293 25693 1492 1 5 . 1 1 22 22 SER HA H 22 4.589 4.589 4.245 0.344 25693 1493 1 5 . 1 1 22 22 SER C C 22 170.922 170.922 174.582 -3.660 25693 1494 1 5 . 1 1 22 22 SER CA C 22 59.316 59.316 60.391 -1.075 25693 1495 1 5 . 1 1 22 22 SER CB C 22 64.576 64.576 63.177 1.399 25693 1496 1 5 . 1 1 22 22 SER H H 22 8.671 8.671 8.649 0.022 25693 1497 1 5 . 1 1 23 23 ARG N N 23 120.473 120.473 114.906 5.567 25693 1498 1 5 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.365 0.214 25693 1499 1 5 . 1 1 23 23 ARG C C 23 171.215 171.215 173.820 -2.605 25693 1500 1 5 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.264 0.132 25693 1501 1 5 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.527 -0.136 25693 1502 1 5 . 1 1 23 23 ARG H H 23 7.828 7.828 7.699 0.129 25693 1503 1 5 . 1 1 24 24 ILE N N 24 120.563 120.563 121.858 -1.295 25693 1504 1 5 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.846 -0.411 25693 1505 1 5 . 1 1 24 24 ILE C C 24 176.100 176.100 175.966 0.134 25693 1506 1 5 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.122 3.381 25693 1507 1 5 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.643 2.866 25693 1508 1 5 . 1 1 24 24 ILE H H 24 8.085 8.085 8.461 -0.376 25693 1509 1 5 . 1 1 25 25 LYS N N 25 127.474 127.474 126.055 1.419 25693 1510 1 5 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.683 0.088 25693 1511 1 5 . 1 1 25 25 LYS C C 25 173.336 173.336 174.666 -1.330 25693 1512 1 5 . 1 1 25 25 LYS CA C 25 55.120 55.120 53.904 1.216 25693 1513 1 5 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.653 0.173 25693 1514 1 5 . 1 1 25 25 LYS H H 25 8.526 8.526 8.121 0.405 25693 1515 1 5 . 1 1 26 26 THR N N 26 114.644 114.644 114.190 0.454 25693 1516 1 5 . 1 1 26 26 THR HA H 26 5.512 5.512 5.556 -0.044 25693 1517 1 5 . 1 1 26 26 THR C C 26 169.422 169.422 174.097 -4.675 25693 1518 1 5 . 1 1 26 26 THR CA C 26 60.264 60.264 60.034 0.230 25693 1519 1 5 . 1 1 26 26 THR CB C 26 72.098 72.098 70.122 1.976 25693 1520 1 5 . 1 1 26 26 THR H H 26 7.998 7.998 8.290 -0.292 25693 1521 1 5 . 1 1 27 27 TYR N N 27 122.745 122.745 124.985 -2.240 25693 1522 1 5 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.659 0.218 25693 1523 1 5 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.529 -0.198 25693 1524 1 5 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.148 1.452 25693 1525 1 5 . 1 1 27 27 TYR H H 27 8.848 8.848 8.803 0.045 25693 1526 1 5 . 1 1 28 28 THR N N 28 117.167 117.167 115.911 1.256 25693 1527 1 5 . 1 1 28 28 THR HA H 28 5.005 5.005 5.528 -0.523 25693 1528 1 5 . 1 1 28 28 THR C C 28 169.027 169.027 174.149 -5.122 25693 1529 1 5 . 1 1 28 28 THR CA C 28 61.921 61.921 60.349 1.572 25693 1530 1 5 . 1 1 28 28 THR CB C 28 70.988 70.988 69.879 1.109 25693 1531 1 5 . 1 1 28 28 THR H H 28 8.532 8.532 8.463 0.069 25693 1532 1 5 . 1 1 29 29 ILE N N 29 124.474 124.474 128.182 -3.708 25693 1533 1 5 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.302 0.050 25693 1534 1 5 . 1 1 29 29 ILE C C 29 171.747 171.747 175.418 -3.671 25693 1535 1 5 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.780 -0.575 25693 1536 1 5 . 1 1 29 29 ILE CB C 29 42.025 42.025 39.885 2.140 25693 1537 1 5 . 1 1 29 29 ILE H H 29 8.782 8.782 9.035 -0.253 25693 1538 1 5 . 1 1 30 30 THR N N 30 120.157 120.157 119.387 0.770 25693 1539 1 5 . 1 1 30 30 THR HA H 30 5.143 5.143 5.000 0.143 25693 1540 1 5 . 1 1 30 30 THR C C 30 170.054 170.054 173.764 -3.710 25693 1541 1 5 . 1 1 30 30 THR CA C 30 60.664 60.664 60.097 0.567 25693 1542 1 5 . 1 1 30 30 THR CB C 30 71.397 71.397 69.400 1.997 25693 1543 1 5 . 1 1 30 30 THR H H 30 8.475 8.475 8.638 -0.163 25693 1544 1 5 . 1 1 31 31 GLU N N 31 126.425 126.425 125.229 1.196 25693 1545 1 5 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.423 0.228 25693 1546 1 5 . 1 1 31 31 GLU C C 31 176.004 176.004 177.046 -1.042 25693 1547 1 5 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.300 -0.088 25693 1548 1 5 . 1 1 31 31 GLU CB C 31 31.637 31.637 29.267 2.370 25693 1549 1 5 . 1 1 31 31 GLU H H 31 8.589 8.589 8.115 0.474 25693 1550 1 5 . 1 1 32 32 GLY N N 32 116.534 116.534 114.252 2.282 25693 1551 1 5 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.343 2.349 25693 1552 1 5 . 1 1 32 32 GLY H H 32 8.996 8.996 8.643 0.353 25693 1553 1 5 . 1 1 33 33 SER HA H 33 4.452 4.452 3.968 0.484 25693 1554 1 5 . 1 1 33 33 SER C C 33 173.267 173.267 172.613 0.654 25693 1555 1 5 . 1 1 33 33 SER CA C 33 59.715 59.715 58.123 1.592 25693 1556 1 5 . 1 1 33 33 SER CB C 33 59.715 59.715 63.409 -3.694 25693 1557 1 5 . 1 1 34 34 LEU N N 34 116.305 116.305 120.601 -4.296 25693 1558 1 5 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.792 -0.131 25693 1559 1 5 . 1 1 34 34 LEU C C 34 173.314 173.314 174.629 -1.315 25693 1560 1 5 . 1 1 34 34 LEU CA C 34 55.304 55.304 55.071 0.233 25693 1561 1 5 . 1 1 34 34 LEU CB C 34 44.132 44.132 45.138 -1.006 25693 1562 1 5 . 1 1 34 34 LEU H H 34 8.425 8.425 7.733 0.692 25693 1563 1 5 . 1 1 35 35 ARG N N 35 127.474 127.474 125.107 2.367 25693 1564 1 5 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.124 0.067 25693 1565 1 5 . 1 1 35 35 ARG C C 35 175.720 175.720 174.527 1.193 25693 1566 1 5 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.713 0.591 25693 1567 1 5 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.114 0.694 25693 1568 1 5 . 1 1 35 35 ARG H H 35 8.560 8.560 9.173 -0.613 25693 1569 1 5 . 1 1 36 36 CYS N N 36 122.335 122.335 125.463 -3.128 25693 1570 1 5 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.637 0.212 25693 1571 1 5 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.051 -1.212 25693 1572 1 5 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.264 19.801 25693 1573 1 5 . 1 1 36 36 CYS H H 36 9.179 9.179 9.217 -0.038 25693 1574 1 5 . 1 1 37 37 VAL N N 37 122.327 122.327 129.437 -7.110 25693 1575 1 5 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.019 -0.266 25693 1576 1 5 . 1 1 37 37 VAL CA C 37 61.106 61.106 61.029 0.077 25693 1577 1 5 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.066 1.093 25693 1578 1 5 . 1 1 37 37 VAL H H 37 9.308 9.308 9.035 0.273 25693 1579 1 5 . 1 1 38 38 ILE N N 38 126.295 126.295 126.975 -0.680 25693 1580 1 5 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.832 0.016 25693 1581 1 5 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.216 0.264 25693 1582 1 5 . 1 1 38 38 ILE CB C 38 40.891 40.891 39.929 0.962 25693 1583 1 5 . 1 1 38 38 ILE H H 38 9.014 9.014 9.072 -0.058 25693 1584 1 5 . 1 1 39 39 PHE N N 39 124.882 124.882 127.362 -2.480 25693 1585 1 5 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.146 0.161 25693 1586 1 5 . 1 1 39 39 PHE C C 39 174.855 174.855 175.565 -0.710 25693 1587 1 5 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.515 -0.017 25693 1588 1 5 . 1 1 39 39 PHE CB C 39 41.507 41.507 39.942 1.565 25693 1589 1 5 . 1 1 39 39 PHE H H 39 9.700 9.700 9.596 0.104 25693 1590 1 5 . 1 1 40 40 ILE N N 40 124.722 124.722 126.490 -1.768 25693 1591 1 5 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.550 0.172 25693 1592 1 5 . 1 1 40 40 ILE C C 40 173.603 173.603 176.164 -2.561 25693 1593 1 5 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.008 0.728 25693 1594 1 5 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.224 0.687 25693 1595 1 5 . 1 1 40 40 ILE H H 40 9.313 9.313 8.766 0.547 25693 1596 1 5 . 1 1 41 41 THR N N 41 116.571 116.571 120.175 -3.604 25693 1597 1 5 . 1 1 41 41 THR HA H 41 4.988 4.988 4.900 0.088 25693 1598 1 5 . 1 1 41 41 THR C C 41 171.363 171.363 175.769 -4.406 25693 1599 1 5 . 1 1 41 41 THR CA C 41 59.776 59.776 59.610 0.166 25693 1600 1 5 . 1 1 41 41 THR CB C 41 72.930 72.930 71.487 1.443 25693 1601 1 5 . 1 1 41 41 THR H H 41 8.593 8.593 9.145 -0.552 25693 1602 1 5 . 1 1 42 42 LYS N N 42 116.228 116.228 117.334 -1.106 25693 1603 1 5 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.104 0.303 25693 1604 1 5 . 1 1 42 42 LYS CA C 42 59.500 59.500 58.121 1.379 25693 1605 1 5 . 1 1 42 42 LYS CB C 42 33.333 33.333 32.098 1.235 25693 1606 1 5 . 1 1 42 42 LYS H H 42 8.597 8.597 8.713 -0.116 25693 1607 1 5 . 1 1 43 43 ARG N N 43 113.916 113.916 119.340 -5.424 25693 1608 1 5 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.518 0.133 25693 1609 1 5 . 1 1 43 43 ARG C C 43 176.160 176.160 175.140 1.020 25693 1610 1 5 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.618 -0.406 25693 1611 1 5 . 1 1 43 43 ARG CB C 43 31.550 31.550 30.709 0.841 25693 1612 1 5 . 1 1 43 43 ARG H H 43 7.753 7.753 7.491 0.262 25693 1613 1 5 . 1 1 44 44 GLY N N 44 107.712 107.712 107.949 -0.237 25693 1614 1 5 . 1 1 44 44 GLY C C 44 163.798 163.798 171.573 -7.775 25693 1615 1 5 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.216 0.906 25693 1616 1 5 . 1 1 44 44 GLY H H 44 7.498 7.498 7.866 -0.368 25693 1617 1 5 . 1 1 45 45 LEU N N 45 120.948 120.948 120.207 0.741 25693 1618 1 5 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.676 -0.145 25693 1619 1 5 . 1 1 45 45 LEU C C 45 175.801 175.801 175.451 0.350 25693 1620 1 5 . 1 1 45 45 LEU CA C 45 54.201 54.201 53.800 0.401 25693 1621 1 5 . 1 1 45 45 LEU CB C 45 47.446 47.446 45.795 1.651 25693 1622 1 5 . 1 1 45 45 LEU H H 45 8.374 8.374 9.008 -0.634 25693 1623 1 5 . 1 1 46 46 LYS N N 46 124.968 124.968 124.624 0.344 25693 1624 1 5 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.007 0.326 25693 1625 1 5 . 1 1 46 46 LYS C C 46 171.169 171.169 174.136 -2.967 25693 1626 1 5 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.043 0.812 25693 1627 1 5 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.683 1.063 25693 1628 1 5 . 1 1 46 46 LYS H H 46 9.115 9.115 9.136 -0.021 25693 1629 1 5 . 1 1 47 47 VAL N N 47 126.006 126.006 126.913 -0.907 25693 1630 1 5 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.520 -0.267 25693 1631 1 5 . 1 1 47 47 VAL C C 47 173.892 173.892 173.149 0.743 25693 1632 1 5 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.650 1.290 25693 1633 1 5 . 1 1 47 47 VAL CB C 47 34.851 34.851 35.540 -0.689 25693 1634 1 5 . 1 1 47 47 VAL H H 47 9.221 9.221 9.303 -0.082 25693 1635 1 5 . 1 1 48 48 CYS N N 48 123.279 123.279 128.296 -5.017 25693 1636 1 5 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.237 0.803 25693 1637 1 5 . 1 1 48 48 CYS C C 48 172.554 172.554 173.932 -1.378 25693 1638 1 5 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.016 -2.835 25693 1639 1 5 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.650 20.012 25693 1640 1 5 . 1 1 48 48 CYS H H 48 9.201 9.201 8.788 0.413 25693 1641 1 5 . 1 1 49 49 CYS N N 49 119.872 119.872 128.631 -8.759 25693 1642 1 5 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.137 0.542 25693 1643 1 5 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.429 -2.215 25693 1644 1 5 . 1 1 49 49 CYS CB C 49 48.015 48.015 29.382 18.633 25693 1645 1 5 . 1 1 49 49 CYS H H 49 9.117 9.117 8.736 0.381 25693 1646 1 5 . 1 1 50 50 ASP N N 50 123.093 123.093 122.647 0.446 25693 1647 1 5 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.081 0.081 25693 1648 1 5 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.485 1.384 25693 1649 1 5 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.198 -1.360 25693 1650 1 5 . 1 1 50 50 ASP H H 50 8.837 8.837 9.154 -0.317 25693 1651 1 5 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.627 0.098 25693 1652 1 5 . 1 1 51 51 PRO C C 51 178.489 178.489 176.045 2.444 25693 1653 1 5 . 1 1 51 51 PRO CA C 51 63.575 63.575 62.835 0.740 25693 1654 1 5 . 1 1 51 51 PRO CB C 51 32.550 32.550 30.349 2.201 25693 1655 1 5 . 1 1 52 52 GLN N N 52 120.594 120.594 112.467 8.127 25693 1656 1 5 . 1 1 52 52 GLN HA H 52 4.368 4.368 3.450 0.918 25693 1657 1 5 . 1 1 52 52 GLN C C 52 175.779 175.779 174.457 1.322 25693 1658 1 5 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.161 -0.006 25693 1659 1 5 . 1 1 52 52 GLN CB C 52 30.069 30.069 25.093 4.976 25693 1660 1 5 . 1 1 52 52 GLN H H 52 8.504 8.504 8.189 0.315 25693 1661 1 5 . 1 1 53 53 ALA N N 53 124.936 124.936 118.921 6.015 25693 1662 1 5 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.324 0.018 25693 1663 1 5 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.533 -0.319 25693 1664 1 5 . 1 1 53 53 ALA CB C 53 19.978 19.978 19.222 0.756 25693 1665 1 5 . 1 1 53 53 ALA H H 53 8.290 8.290 7.816 0.474 25693 1666 1 5 . 1 1 54 54 THR N N 54 112.200 112.200 111.376 0.824 25693 1667 1 5 . 1 1 54 54 THR HA H 54 4.318 4.318 4.421 -0.103 25693 1668 1 5 . 1 1 54 54 THR CA C 54 62.594 62.594 63.249 -0.655 25693 1669 1 5 . 1 1 54 54 THR CB C 54 70.341 70.341 70.213 0.128 25693 1670 1 5 . 1 1 54 54 THR H H 54 8.011 8.011 8.328 -0.317 25693 1671 1 5 . 1 1 55 55 TRP N N 55 122.937 122.937 119.230 3.707 25693 1672 1 5 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.319 0.484 25693 1673 1 5 . 1 1 55 55 TRP C C 55 176.602 176.602 176.007 0.595 25693 1674 1 5 . 1 1 55 55 TRP CA C 55 57.651 57.651 58.336 -0.685 25693 1675 1 5 . 1 1 55 55 TRP CB C 55 30.105 30.105 26.049 4.056 25693 1676 1 5 . 1 1 55 55 TRP H H 55 7.979 7.979 8.371 -0.392 25693 1677 1 5 . 1 1 56 56 VAL N N 56 121.829 121.829 118.643 3.186 25693 1678 1 5 . 1 1 56 56 VAL HA H 56 4.031 4.031 3.920 0.111 25693 1679 1 5 . 1 1 56 56 VAL C C 56 175.779 175.779 176.194 -0.415 25693 1680 1 5 . 1 1 56 56 VAL CA C 56 63.060 63.060 63.720 -0.660 25693 1681 1 5 . 1 1 56 56 VAL CB C 56 33.012 33.012 31.543 1.470 25693 1682 1 5 . 1 1 56 56 VAL H H 56 7.817 7.817 7.683 0.134 25693 1683 1 5 . 1 1 57 57 ARG N N 57 123.817 123.817 127.779 -3.962 25693 1684 1 5 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.802 -0.497 25693 1685 1 5 . 1 1 57 57 ARG C C 57 176.484 176.484 174.973 1.511 25693 1686 1 5 . 1 1 57 57 ARG CA C 57 56.741 56.741 55.148 1.593 25693 1687 1 5 . 1 1 57 57 ARG CB C 57 31.502 31.502 31.963 -0.461 25693 1688 1 5 . 1 1 57 57 ARG H H 57 8.087 8.087 8.374 -0.287 25693 1689 1 5 . 1 1 58 58 ASP N N 58 121.452 121.452 124.375 -2.923 25693 1690 1 5 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.931 -0.214 25693 1691 1 5 . 1 1 58 58 ASP C C 58 177.508 177.508 176.630 0.878 25693 1692 1 5 . 1 1 58 58 ASP CA C 58 54.966 54.966 53.572 1.394 25693 1693 1 5 . 1 1 58 58 ASP CB C 58 42.021 42.021 43.473 -1.452 25693 1694 1 5 . 1 1 58 58 ASP H H 58 8.240 8.240 8.596 -0.356 25693 1695 1 5 . 1 1 59 59 VAL N N 59 120.104 120.104 118.368 1.736 25693 1696 1 5 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.159 0.008 25693 1697 1 5 . 1 1 59 59 VAL C C 59 177.636 177.636 176.332 1.304 25693 1698 1 5 . 1 1 59 59 VAL CA C 59 63.146 63.146 63.380 -0.235 25693 1699 1 5 . 1 1 59 59 VAL CB C 59 33.377 33.377 31.981 1.396 25693 1700 1 5 . 1 1 59 59 VAL H H 59 8.059 8.059 8.417 -0.358 25693 1701 1 5 . 1 1 60 60 VAL N N 60 123.394 123.394 123.333 0.061 25693 1702 1 5 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.999 0.144 25693 1703 1 5 . 1 1 60 60 VAL C C 60 177.956 177.956 175.341 2.615 25693 1704 1 5 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.501 0.951 25693 1705 1 5 . 1 1 60 60 VAL CB C 60 33.012 33.012 30.782 2.230 25693 1706 1 5 . 1 1 60 60 VAL H H 60 8.115 8.115 7.731 0.384 25693 1707 1 5 . 1 1 61 61 ARG N N 61 124.402 124.402 127.340 -2.938 25693 1708 1 5 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.474 0.159 25693 1709 1 5 . 1 1 61 61 ARG C C 61 177.786 177.786 175.831 1.955 25693 1710 1 5 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.513 1.200 25693 1711 1 5 . 1 1 61 61 ARG CB C 61 31.306 31.306 30.852 0.453 25693 1712 1 5 . 1 1 61 61 ARG H H 61 8.350 8.350 8.006 0.344 25693 1713 1 5 . 1 1 62 62 SER N N 62 121.629 121.629 117.167 4.462 25693 1714 1 5 . 1 1 62 62 SER HA H 62 4.579 4.579 4.453 0.126 25693 1715 1 5 . 1 1 62 62 SER C C 62 177.687 177.687 174.756 2.931 25693 1716 1 5 . 1 1 62 62 SER CA C 62 56.270 56.270 57.760 -1.490 25693 1717 1 5 . 1 1 62 62 SER CB C 62 70.537 70.537 63.836 6.701 25693 1718 1 5 . 1 1 62 62 SER H H 62 8.253 8.253 8.328 -0.075 25693 1719 1 5 . 1 1 63 63 MET N N 63 121.452 121.452 122.846 -1.394 25693 1720 1 5 . 1 1 63 63 MET HA H 63 4.706 4.706 4.634 0.072 25693 1721 1 5 . 1 1 63 63 MET C C 63 177.252 177.252 175.176 2.076 25693 1722 1 5 . 1 1 63 63 MET CA C 63 54.861 54.861 54.493 0.368 25693 1723 1 5 . 1 1 63 63 MET CB C 63 31.514 31.514 33.972 -2.458 25693 1724 1 5 . 1 1 63 63 MET H H 63 8.245 8.245 8.136 0.109 25693 1725 1 5 . 1 1 64 64 ASP N N 64 120.811 120.811 119.152 1.659 25693 1726 1 5 . 1 1 64 64 ASP C C 64 177.786 177.786 177.360 0.426 25693 1727 1 5 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.959 2.509 25693 1728 1 5 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.272 -8.895 25693 1729 1 5 . 1 1 64 64 ASP H H 64 8.251 8.251 8.356 -0.105 25693 1730 1 5 . 1 1 65 65 ARG N N 65 120.563 120.563 120.608 -0.045 25693 1731 1 5 . 1 1 65 65 ARG HA H 65 4.469 4.469 3.960 0.509 25693 1732 1 5 . 1 1 65 65 ARG C C 65 179.397 179.397 176.616 2.781 25693 1733 1 5 . 1 1 65 65 ARG CA C 65 57.080 57.080 57.684 -0.604 25693 1734 1 5 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.280 3.230 25693 1735 1 5 . 1 1 65 65 ARG H H 65 8.145 8.145 8.544 -0.399 25693 1736 1 6 . 1 1 2 2 GLY C C 2 176.333 176.333 174.057 2.276 25693 1737 1 6 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.861 8.020 25693 1738 1 6 . 1 1 3 3 SER N N 3 119.606 119.606 115.078 4.528 25693 1739 1 6 . 1 1 3 3 SER C C 3 171.619 171.619 175.054 -3.435 25693 1740 1 6 . 1 1 3 3 SER CA C 3 62.684 62.684 58.985 3.699 25693 1741 1 6 . 1 1 3 3 SER CB C 3 62.684 62.684 63.792 -1.109 25693 1742 1 6 . 1 1 3 3 SER H H 3 8.031 8.031 8.307 -0.276 25693 1743 1 6 . 1 1 4 4 GLU N N 4 122.937 122.937 122.575 0.362 25693 1744 1 6 . 1 1 4 4 GLU C C 4 178.452 178.452 176.433 2.019 25693 1745 1 6 . 1 1 4 4 GLU CA C 4 57.387 57.387 55.984 1.403 25693 1746 1 6 . 1 1 4 4 GLU CB C 4 30.575 30.575 28.786 1.789 25693 1747 1 6 . 1 1 4 4 GLU H H 4 7.979 7.979 8.379 -0.400 25693 1748 1 6 . 1 1 5 5 VAL N N 5 120.522 120.522 124.491 -3.969 25693 1749 1 6 . 1 1 5 5 VAL HA H 5 4.269 4.269 3.946 0.323 25693 1750 1 6 . 1 1 5 5 VAL CA C 5 62.840 62.840 64.316 -1.476 25693 1751 1 6 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.444 0.750 25693 1752 1 6 . 1 1 5 5 VAL H H 5 8.185 8.185 8.316 -0.131 25693 1753 1 6 . 1 1 6 6 SER N N 6 119.109 119.109 114.021 5.088 25693 1754 1 6 . 1 1 6 6 SER HA H 6 4.560 4.560 4.386 0.174 25693 1755 1 6 . 1 1 6 6 SER CA C 6 58.826 58.826 58.110 0.716 25693 1756 1 6 . 1 1 6 6 SER CB C 6 64.865 64.865 64.522 0.343 25693 1757 1 6 . 1 1 6 6 SER H H 6 8.340 8.340 8.010 0.330 25693 1758 1 6 . 1 1 7 7 ASP N N 7 122.786 122.786 123.525 -0.739 25693 1759 1 6 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.492 0.214 25693 1760 1 6 . 1 1 7 7 ASP C C 7 177.572 177.572 175.717 1.855 25693 1761 1 6 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.909 0.027 25693 1762 1 6 . 1 1 7 7 ASP CB C 7 41.984 41.984 40.175 1.809 25693 1763 1 6 . 1 1 7 7 ASP H H 7 8.347 8.347 8.678 -0.331 25693 1764 1 6 . 1 1 8 8 LYS N N 8 119.939 119.939 120.092 -0.153 25693 1765 1 6 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.218 0.189 25693 1766 1 6 . 1 1 8 8 LYS C C 8 178.323 178.323 176.437 1.886 25693 1767 1 6 . 1 1 8 8 LYS CA C 8 56.844 56.844 56.761 0.083 25693 1768 1 6 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.822 -2.746 25693 1769 1 6 . 1 1 8 8 LYS H H 8 8.060 8.060 8.437 -0.377 25693 1770 1 6 . 1 1 9 9 ARG N N 9 121.813 121.813 120.250 1.563 25693 1771 1 6 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.613 -0.144 25693 1772 1 6 . 1 1 9 9 ARG C C 9 178.148 178.148 175.199 2.949 25693 1773 1 6 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.936 0.843 25693 1774 1 6 . 1 1 9 9 ARG CB C 9 31.062 31.062 31.655 -0.593 25693 1775 1 6 . 1 1 9 9 ARG H H 9 8.352 8.352 7.786 0.566 25693 1776 1 6 . 1 1 10 10 THR N N 10 116.680 116.680 122.623 -5.943 25693 1777 1 6 . 1 1 10 10 THR HA H 10 4.487 4.487 4.602 -0.115 25693 1778 1 6 . 1 1 10 10 THR CA C 10 59.286 59.286 62.073 -2.787 25693 1779 1 6 . 1 1 10 10 THR CB C 10 64.412 64.412 70.020 -5.608 25693 1780 1 6 . 1 1 10 10 THR H H 10 8.263 8.263 8.523 -0.260 25693 1781 1 6 . 1 1 11 11 CYS N N 11 124.443 124.443 124.077 0.366 25693 1782 1 6 . 1 1 11 11 CYS HA H 11 6.292 6.292 5.090 1.202 25693 1783 1 6 . 1 1 11 11 CYS C C 11 169.873 169.873 174.102 -4.229 25693 1784 1 6 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.596 -1.986 25693 1785 1 6 . 1 1 11 11 CYS CB C 11 44.241 44.241 29.808 14.433 25693 1786 1 6 . 1 1 11 11 CYS H H 11 8.166 8.166 8.738 -0.572 25693 1787 1 6 . 1 1 12 12 VAL N N 12 118.379 118.379 121.047 -2.668 25693 1788 1 6 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.669 0.044 25693 1789 1 6 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.891 0.080 25693 1790 1 6 . 1 1 12 12 VAL CB C 12 35.720 35.720 35.254 0.466 25693 1791 1 6 . 1 1 12 12 VAL H H 12 9.190 9.190 9.378 -0.188 25693 1792 1 6 . 1 1 13 13 SER N N 13 118.231 118.231 120.545 -2.314 25693 1793 1 6 . 1 1 13 13 SER HA H 13 5.457 5.457 5.186 0.271 25693 1794 1 6 . 1 1 13 13 SER CA C 13 57.815 57.815 57.110 0.705 25693 1795 1 6 . 1 1 13 13 SER CB C 13 66.744 66.744 64.619 2.125 25693 1796 1 6 . 1 1 13 13 SER H H 13 8.477 8.477 8.335 0.142 25693 1797 1 6 . 1 1 14 14 LEU N N 14 125.590 125.590 127.264 -1.674 25693 1798 1 6 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.731 0.085 25693 1799 1 6 . 1 1 14 14 LEU C C 14 176.497 176.497 176.092 0.405 25693 1800 1 6 . 1 1 14 14 LEU CA C 14 55.068 55.068 53.902 1.166 25693 1801 1 6 . 1 1 14 14 LEU CB C 14 45.750 45.750 44.221 1.529 25693 1802 1 6 . 1 1 14 14 LEU H H 14 9.031 9.031 8.622 0.409 25693 1803 1 6 . 1 1 15 15 THR N N 15 121.083 121.083 116.227 4.856 25693 1804 1 6 . 1 1 15 15 THR HA H 15 4.870 4.870 4.925 -0.055 25693 1805 1 6 . 1 1 15 15 THR C C 15 171.445 171.445 174.313 -2.868 25693 1806 1 6 . 1 1 15 15 THR CA C 15 62.607 62.607 60.839 1.768 25693 1807 1 6 . 1 1 15 15 THR CB C 15 70.127 70.127 69.428 0.699 25693 1808 1 6 . 1 1 15 15 THR H H 15 8.684 8.684 8.548 0.136 25693 1809 1 6 . 1 1 16 16 THR N N 16 117.142 117.142 120.318 -3.176 25693 1810 1 6 . 1 1 16 16 THR HA H 16 4.724 4.724 4.412 0.312 25693 1811 1 6 . 1 1 16 16 THR CA C 16 61.091 61.091 61.840 -0.749 25693 1812 1 6 . 1 1 16 16 THR CB C 16 71.260 71.260 70.153 1.107 25693 1813 1 6 . 1 1 16 16 THR H H 16 8.114 8.114 8.677 -0.563 25693 1814 1 6 . 1 1 17 17 GLN N N 17 119.423 119.423 120.482 -1.059 25693 1815 1 6 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.012 0.485 25693 1816 1 6 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.047 -0.486 25693 1817 1 6 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.016 0.828 25693 1818 1 6 . 1 1 17 17 GLN H H 17 8.260 8.260 8.471 -0.211 25693 1819 1 6 . 1 1 18 18 ARG N N 18 119.630 119.630 120.785 -1.155 25693 1820 1 6 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.714 -0.207 25693 1821 1 6 . 1 1 18 18 ARG C C 18 177.434 177.434 174.971 2.463 25693 1822 1 6 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.196 1.915 25693 1823 1 6 . 1 1 18 18 ARG CB C 18 30.895 30.895 30.857 0.038 25693 1824 1 6 . 1 1 18 18 ARG H H 18 8.190 8.190 8.271 -0.081 25693 1825 1 6 . 1 1 19 19 LEU N N 19 125.797 125.797 123.748 2.049 25693 1826 1 6 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.628 0.613 25693 1827 1 6 . 1 1 19 19 LEU CB C 19 43.403 43.403 43.436 -0.033 25693 1828 1 6 . 1 1 19 19 LEU H H 19 8.674 8.674 8.485 0.189 25693 1829 1 6 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.391 0.397 25693 1830 1 6 . 1 1 20 20 PRO C C 20 177.352 177.352 176.083 1.269 25693 1831 1 6 . 1 1 20 20 PRO CA C 20 63.146 63.146 63.431 -0.285 25693 1832 1 6 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.201 -2.709 25693 1833 1 6 . 1 1 21 21 VAL N N 21 119.308 119.308 122.223 -2.915 25693 1834 1 6 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.354 -0.216 25693 1835 1 6 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.204 1.104 25693 1836 1 6 . 1 1 21 21 VAL CB C 21 34.628 34.628 35.040 -0.412 25693 1837 1 6 . 1 1 21 21 VAL H H 21 7.850 7.850 8.004 -0.154 25693 1838 1 6 . 1 1 22 22 SER N N 22 121.709 121.709 121.471 0.238 25693 1839 1 6 . 1 1 22 22 SER HA H 22 4.589 4.589 4.330 0.259 25693 1840 1 6 . 1 1 22 22 SER C C 22 170.922 170.922 174.138 -3.216 25693 1841 1 6 . 1 1 22 22 SER CA C 22 59.316 59.316 60.422 -1.106 25693 1842 1 6 . 1 1 22 22 SER CB C 22 64.576 64.576 63.388 1.188 25693 1843 1 6 . 1 1 22 22 SER H H 22 8.671 8.671 8.564 0.107 25693 1844 1 6 . 1 1 23 23 ARG N N 23 120.473 120.473 116.125 4.348 25693 1845 1 6 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.510 0.069 25693 1846 1 6 . 1 1 23 23 ARG C C 23 171.215 171.215 173.383 -2.168 25693 1847 1 6 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.199 0.197 25693 1848 1 6 . 1 1 23 23 ARG CB C 23 32.391 32.391 31.513 0.878 25693 1849 1 6 . 1 1 23 23 ARG H H 23 7.828 7.828 7.554 0.274 25693 1850 1 6 . 1 1 24 24 ILE N N 24 120.563 120.563 121.182 -0.619 25693 1851 1 6 . 1 1 24 24 ILE HA H 24 4.435 4.435 5.046 -0.611 25693 1852 1 6 . 1 1 24 24 ILE C C 24 176.100 176.100 176.082 0.018 25693 1853 1 6 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.454 3.049 25693 1854 1 6 . 1 1 24 24 ILE CB C 24 39.509 39.509 38.631 0.878 25693 1855 1 6 . 1 1 24 24 ILE H H 24 8.085 8.085 8.453 -0.368 25693 1856 1 6 . 1 1 25 25 LYS N N 25 127.474 127.474 126.290 1.184 25693 1857 1 6 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.680 0.091 25693 1858 1 6 . 1 1 25 25 LYS C C 25 173.336 173.336 174.480 -1.144 25693 1859 1 6 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.404 0.716 25693 1860 1 6 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.670 0.155 25693 1861 1 6 . 1 1 25 25 LYS H H 25 8.526 8.526 8.497 0.029 25693 1862 1 6 . 1 1 26 26 THR N N 26 114.644 114.644 112.501 2.143 25693 1863 1 6 . 1 1 26 26 THR HA H 26 5.512 5.512 5.580 -0.068 25693 1864 1 6 . 1 1 26 26 THR C C 26 169.422 169.422 174.140 -4.718 25693 1865 1 6 . 1 1 26 26 THR CA C 26 60.264 60.264 60.059 0.205 25693 1866 1 6 . 1 1 26 26 THR CB C 26 72.098 72.098 70.287 1.811 25693 1867 1 6 . 1 1 26 26 THR H H 26 7.998 7.998 7.997 0.001 25693 1868 1 6 . 1 1 27 27 TYR N N 27 122.745 122.745 125.713 -2.968 25693 1869 1 6 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.663 0.214 25693 1870 1 6 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.313 0.018 25693 1871 1 6 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.281 1.321 25693 1872 1 6 . 1 1 27 27 TYR H H 27 8.848 8.848 8.523 0.325 25693 1873 1 6 . 1 1 28 28 THR N N 28 117.167 117.167 119.771 -2.604 25693 1874 1 6 . 1 1 28 28 THR HA H 28 5.005 5.005 5.328 -0.323 25693 1875 1 6 . 1 1 28 28 THR C C 28 169.027 169.027 173.876 -4.849 25693 1876 1 6 . 1 1 28 28 THR CA C 28 61.921 61.921 61.452 0.469 25693 1877 1 6 . 1 1 28 28 THR CB C 28 70.988 70.988 70.144 0.844 25693 1878 1 6 . 1 1 28 28 THR H H 28 8.532 8.532 8.525 0.007 25693 1879 1 6 . 1 1 29 29 ILE N N 29 124.474 124.474 128.108 -3.634 25693 1880 1 6 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.390 -0.038 25693 1881 1 6 . 1 1 29 29 ILE C C 29 171.747 171.747 175.153 -3.406 25693 1882 1 6 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.471 -0.266 25693 1883 1 6 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.069 1.956 25693 1884 1 6 . 1 1 29 29 ILE H H 29 8.782 8.782 9.195 -0.413 25693 1885 1 6 . 1 1 30 30 THR N N 30 120.157 120.157 118.980 1.177 25693 1886 1 6 . 1 1 30 30 THR HA H 30 5.143 5.143 5.239 -0.096 25693 1887 1 6 . 1 1 30 30 THR C C 30 170.054 170.054 173.725 -3.671 25693 1888 1 6 . 1 1 30 30 THR CA C 30 60.664 60.664 59.869 0.795 25693 1889 1 6 . 1 1 30 30 THR CB C 30 71.397 71.397 69.073 2.324 25693 1890 1 6 . 1 1 30 30 THR H H 30 8.475 8.475 8.550 -0.075 25693 1891 1 6 . 1 1 31 31 GLU N N 31 126.425 126.425 124.061 2.364 25693 1892 1 6 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.544 0.107 25693 1893 1 6 . 1 1 31 31 GLU C C 31 176.004 176.004 176.414 -0.410 25693 1894 1 6 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.679 -0.467 25693 1895 1 6 . 1 1 31 31 GLU CB C 31 31.637 31.637 31.229 0.408 25693 1896 1 6 . 1 1 31 31 GLU H H 31 8.589 8.589 8.375 0.214 25693 1897 1 6 . 1 1 32 32 GLY N N 32 116.534 116.534 113.094 3.440 25693 1898 1 6 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.210 2.482 25693 1899 1 6 . 1 1 32 32 GLY H H 32 8.996 8.996 8.628 0.368 25693 1900 1 6 . 1 1 33 33 SER HA H 33 4.452 4.452 4.038 0.414 25693 1901 1 6 . 1 1 33 33 SER C C 33 173.267 173.267 173.133 0.134 25693 1902 1 6 . 1 1 33 33 SER CA C 33 59.715 59.715 59.206 0.509 25693 1903 1 6 . 1 1 33 33 SER CB C 33 59.715 59.715 62.926 -3.211 25693 1904 1 6 . 1 1 34 34 LEU N N 34 116.305 116.305 120.461 -4.156 25693 1905 1 6 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.650 0.011 25693 1906 1 6 . 1 1 34 34 LEU C C 34 173.314 173.314 175.252 -1.938 25693 1907 1 6 . 1 1 34 34 LEU CA C 34 55.304 55.304 53.935 1.369 25693 1908 1 6 . 1 1 34 34 LEU CB C 34 44.132 44.132 43.869 0.263 25693 1909 1 6 . 1 1 34 34 LEU H H 34 8.425 8.425 7.053 1.372 25693 1910 1 6 . 1 1 35 35 ARG N N 35 127.474 127.474 125.792 1.682 25693 1911 1 6 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.643 -0.452 25693 1912 1 6 . 1 1 35 35 ARG C C 35 175.720 175.720 174.665 1.055 25693 1913 1 6 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.475 0.829 25693 1914 1 6 . 1 1 35 35 ARG CB C 35 32.808 32.808 33.530 -0.722 25693 1915 1 6 . 1 1 35 35 ARG H H 35 8.560 8.560 9.096 -0.536 25693 1916 1 6 . 1 1 36 36 CYS N N 36 122.335 122.335 122.088 0.247 25693 1917 1 6 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.693 0.156 25693 1918 1 6 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.390 -1.551 25693 1919 1 6 . 1 1 36 36 CYS CB C 36 50.065 50.065 31.454 18.611 25693 1920 1 6 . 1 1 36 36 CYS H H 36 9.179 9.179 9.040 0.139 25693 1921 1 6 . 1 1 37 37 VAL N N 37 122.327 122.327 126.477 -4.150 25693 1922 1 6 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.042 -0.289 25693 1923 1 6 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.802 0.304 25693 1924 1 6 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.861 0.298 25693 1925 1 6 . 1 1 37 37 VAL H H 37 9.308 9.308 9.117 0.191 25693 1926 1 6 . 1 1 38 38 ILE N N 38 126.295 126.295 125.800 0.495 25693 1927 1 6 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.990 -0.142 25693 1928 1 6 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.117 0.363 25693 1929 1 6 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.155 0.736 25693 1930 1 6 . 1 1 38 38 ILE H H 38 9.014 9.014 8.940 0.074 25693 1931 1 6 . 1 1 39 39 PHE N N 39 124.882 124.882 126.938 -2.056 25693 1932 1 6 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.258 0.049 25693 1933 1 6 . 1 1 39 39 PHE C C 39 174.855 174.855 175.606 -0.751 25693 1934 1 6 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.142 0.356 25693 1935 1 6 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.562 0.945 25693 1936 1 6 . 1 1 39 39 PHE H H 39 9.700 9.700 9.516 0.184 25693 1937 1 6 . 1 1 40 40 ILE N N 40 124.722 124.722 126.569 -1.847 25693 1938 1 6 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.523 0.199 25693 1939 1 6 . 1 1 40 40 ILE C C 40 173.603 173.603 175.422 -1.819 25693 1940 1 6 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.077 0.659 25693 1941 1 6 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.306 0.605 25693 1942 1 6 . 1 1 40 40 ILE H H 40 9.313 9.313 8.568 0.745 25693 1943 1 6 . 1 1 41 41 THR N N 41 116.571 116.571 118.079 -1.508 25693 1944 1 6 . 1 1 41 41 THR HA H 41 4.988 4.988 4.808 0.180 25693 1945 1 6 . 1 1 41 41 THR C C 41 171.363 171.363 175.223 -3.860 25693 1946 1 6 . 1 1 41 41 THR CA C 41 59.776 59.776 59.630 0.146 25693 1947 1 6 . 1 1 41 41 THR CB C 41 72.930 72.930 71.953 0.977 25693 1948 1 6 . 1 1 41 41 THR H H 41 8.593 8.593 9.122 -0.529 25693 1949 1 6 . 1 1 42 42 LYS N N 42 116.228 116.228 120.233 -4.005 25693 1950 1 6 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.471 -0.064 25693 1951 1 6 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.414 2.086 25693 1952 1 6 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.412 1.921 25693 1953 1 6 . 1 1 42 42 LYS H H 42 8.597 8.597 8.753 -0.156 25693 1954 1 6 . 1 1 43 43 ARG N N 43 113.916 113.916 118.958 -5.042 25693 1955 1 6 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.542 0.109 25693 1956 1 6 . 1 1 43 43 ARG C C 43 176.160 176.160 174.781 1.379 25693 1957 1 6 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.221 -0.009 25693 1958 1 6 . 1 1 43 43 ARG CB C 43 31.550 31.550 31.758 -0.208 25693 1959 1 6 . 1 1 43 43 ARG H H 43 7.753 7.753 7.497 0.256 25693 1960 1 6 . 1 1 44 44 GLY N N 44 107.712 107.712 107.273 0.439 25693 1961 1 6 . 1 1 44 44 GLY C C 44 163.798 163.798 171.807 -8.009 25693 1962 1 6 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.112 1.010 25693 1963 1 6 . 1 1 44 44 GLY H H 44 7.498 7.498 7.628 -0.130 25693 1964 1 6 . 1 1 45 45 LEU N N 45 120.948 120.948 120.097 0.851 25693 1965 1 6 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.490 0.041 25693 1966 1 6 . 1 1 45 45 LEU C C 45 175.801 175.801 175.051 0.750 25693 1967 1 6 . 1 1 45 45 LEU CA C 45 54.201 54.201 53.776 0.425 25693 1968 1 6 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.929 0.517 25693 1969 1 6 . 1 1 45 45 LEU H H 45 8.374 8.374 8.075 0.299 25693 1970 1 6 . 1 1 46 46 LYS N N 46 124.968 124.968 121.889 3.079 25693 1971 1 6 . 1 1 46 46 LYS HA H 46 5.333 5.333 4.973 0.360 25693 1972 1 6 . 1 1 46 46 LYS C C 46 171.169 171.169 174.389 -3.220 25693 1973 1 6 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.220 0.635 25693 1974 1 6 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.683 1.063 25693 1975 1 6 . 1 1 46 46 LYS H H 46 9.115 9.115 8.931 0.184 25693 1976 1 6 . 1 1 47 47 VAL N N 47 126.006 126.006 126.703 -0.697 25693 1977 1 6 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.333 -0.080 25693 1978 1 6 . 1 1 47 47 VAL C C 47 173.892 173.892 173.290 0.602 25693 1979 1 6 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.651 1.289 25693 1980 1 6 . 1 1 47 47 VAL CB C 47 34.851 34.851 35.558 -0.707 25693 1981 1 6 . 1 1 47 47 VAL H H 47 9.221 9.221 9.182 0.039 25693 1982 1 6 . 1 1 48 48 CYS N N 48 123.279 123.279 128.463 -5.184 25693 1983 1 6 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.216 0.824 25693 1984 1 6 . 1 1 48 48 CYS C C 48 172.554 172.554 173.864 -1.310 25693 1985 1 6 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.129 -2.948 25693 1986 1 6 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.483 20.179 25693 1987 1 6 . 1 1 48 48 CYS H H 48 9.201 9.201 8.997 0.204 25693 1988 1 6 . 1 1 49 49 CYS N N 49 119.872 119.872 128.195 -8.323 25693 1989 1 6 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.331 0.348 25693 1990 1 6 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.389 -2.175 25693 1991 1 6 . 1 1 49 49 CYS CB C 49 48.015 48.015 30.069 17.946 25693 1992 1 6 . 1 1 49 49 CYS H H 49 9.117 9.117 8.871 0.246 25693 1993 1 6 . 1 1 50 50 ASP N N 50 123.093 123.093 122.599 0.494 25693 1994 1 6 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.390 -0.228 25693 1995 1 6 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.172 1.697 25693 1996 1 6 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.178 -1.340 25693 1997 1 6 . 1 1 50 50 ASP H H 50 8.837 8.837 9.286 -0.449 25693 1998 1 6 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.499 0.226 25693 1999 1 6 . 1 1 51 51 PRO C C 51 178.489 178.489 176.909 1.580 25693 2000 1 6 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.804 -0.229 25693 2001 1 6 . 1 1 51 51 PRO CB C 51 32.550 32.550 32.267 0.283 25693 2002 1 6 . 1 1 52 52 GLN N N 52 120.594 120.594 115.028 5.566 25693 2003 1 6 . 1 1 52 52 GLN HA H 52 4.368 4.368 3.703 0.665 25693 2004 1 6 . 1 1 52 52 GLN C C 52 175.779 175.779 177.192 -1.413 25693 2005 1 6 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.948 -0.793 25693 2006 1 6 . 1 1 52 52 GLN CB C 52 30.069 30.069 25.762 4.307 25693 2007 1 6 . 1 1 52 52 GLN H H 52 8.504 8.504 8.703 -0.199 25693 2008 1 6 . 1 1 53 53 ALA N N 53 124.936 124.936 121.265 3.671 25693 2009 1 6 . 1 1 53 53 ALA HA H 53 4.342 4.342 3.998 0.344 25693 2010 1 6 . 1 1 53 53 ALA CA C 53 53.214 53.214 55.025 -1.811 25693 2011 1 6 . 1 1 53 53 ALA CB C 53 19.978 19.978 18.882 1.096 25693 2012 1 6 . 1 1 53 53 ALA H H 53 8.290 8.290 8.401 -0.111 25693 2013 1 6 . 1 1 54 54 THR N N 54 112.200 112.200 107.486 4.714 25693 2014 1 6 . 1 1 54 54 THR HA H 54 4.318 4.318 4.318 -0.000 25693 2015 1 6 . 1 1 54 54 THR CA C 54 62.594 62.594 62.262 0.332 25693 2016 1 6 . 1 1 54 54 THR CB C 54 70.341 70.341 68.689 1.652 25693 2017 1 6 . 1 1 54 54 THR H H 54 8.011 8.011 8.386 -0.375 25693 2018 1 6 . 1 1 55 55 TRP N N 55 122.937 122.937 122.125 0.812 25693 2019 1 6 . 1 1 55 55 TRP HA H 55 4.803 4.803 5.034 -0.231 25693 2020 1 6 . 1 1 55 55 TRP C C 55 176.602 176.602 175.199 1.403 25693 2021 1 6 . 1 1 55 55 TRP CA C 55 57.651 57.651 54.571 3.080 25693 2022 1 6 . 1 1 55 55 TRP CB C 55 30.105 30.105 29.298 0.807 25693 2023 1 6 . 1 1 55 55 TRP H H 55 7.979 7.979 7.669 0.310 25693 2024 1 6 . 1 1 56 56 VAL N N 56 121.829 121.829 118.581 3.248 25693 2025 1 6 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.115 -0.084 25693 2026 1 6 . 1 1 56 56 VAL C C 56 175.779 175.779 175.868 -0.089 25693 2027 1 6 . 1 1 56 56 VAL CA C 56 63.060 63.060 61.201 1.859 25693 2028 1 6 . 1 1 56 56 VAL CB C 56 33.012 33.012 31.941 1.071 25693 2029 1 6 . 1 1 56 56 VAL H H 56 7.817 7.817 8.123 -0.306 25693 2030 1 6 . 1 1 57 57 ARG N N 57 123.817 123.817 121.040 2.777 25693 2031 1 6 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.485 -0.180 25693 2032 1 6 . 1 1 57 57 ARG C C 57 176.484 176.484 175.201 1.283 25693 2033 1 6 . 1 1 57 57 ARG CA C 57 56.741 56.741 55.898 0.843 25693 2034 1 6 . 1 1 57 57 ARG CB C 57 31.502 31.502 28.535 2.967 25693 2035 1 6 . 1 1 57 57 ARG H H 57 8.087 8.087 8.187 -0.100 25693 2036 1 6 . 1 1 58 58 ASP N N 58 121.452 121.452 122.472 -1.020 25693 2037 1 6 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.559 0.158 25693 2038 1 6 . 1 1 58 58 ASP C C 58 177.508 177.508 174.949 2.559 25693 2039 1 6 . 1 1 58 58 ASP CA C 58 54.966 54.966 54.735 0.231 25693 2040 1 6 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.722 0.299 25693 2041 1 6 . 1 1 58 58 ASP H H 58 8.240 8.240 8.189 0.051 25693 2042 1 6 . 1 1 59 59 VAL N N 59 120.104 120.104 121.414 -1.310 25693 2043 1 6 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.245 -0.078 25693 2044 1 6 . 1 1 59 59 VAL C C 59 177.636 177.636 175.572 2.064 25693 2045 1 6 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.127 1.019 25693 2046 1 6 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.521 0.856 25693 2047 1 6 . 1 1 59 59 VAL H H 59 8.059 8.059 7.957 0.102 25693 2048 1 6 . 1 1 60 60 VAL N N 60 123.394 123.394 123.068 0.326 25693 2049 1 6 . 1 1 60 60 VAL HA H 60 4.143 4.143 4.029 0.114 25693 2050 1 6 . 1 1 60 60 VAL C C 60 177.956 177.956 175.210 2.746 25693 2051 1 6 . 1 1 60 60 VAL CA C 60 63.452 63.452 63.426 0.026 25693 2052 1 6 . 1 1 60 60 VAL CB C 60 33.012 33.012 30.559 2.453 25693 2053 1 6 . 1 1 60 60 VAL H H 60 8.115 8.115 7.971 0.144 25693 2054 1 6 . 1 1 61 61 ARG N N 61 124.402 124.402 125.607 -1.205 25693 2055 1 6 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.708 -0.075 25693 2056 1 6 . 1 1 61 61 ARG C C 61 177.786 177.786 175.197 2.589 25693 2057 1 6 . 1 1 61 61 ARG CA C 61 56.713 56.713 54.717 1.996 25693 2058 1 6 . 1 1 61 61 ARG CB C 61 31.306 31.306 33.709 -2.403 25693 2059 1 6 . 1 1 61 61 ARG H H 61 8.350 8.350 8.195 0.155 25693 2060 1 6 . 1 1 62 62 SER N N 62 121.629 121.629 116.047 5.582 25693 2061 1 6 . 1 1 62 62 SER HA H 62 4.579 4.579 4.695 -0.116 25693 2062 1 6 . 1 1 62 62 SER C C 62 177.687 177.687 174.163 3.524 25693 2063 1 6 . 1 1 62 62 SER CA C 62 56.270 56.270 58.173 -1.903 25693 2064 1 6 . 1 1 62 62 SER CB C 62 70.537 70.537 62.997 7.540 25693 2065 1 6 . 1 1 62 62 SER H H 62 8.253 8.253 8.735 -0.482 25693 2066 1 6 . 1 1 63 63 MET N N 63 121.452 121.452 125.269 -3.817 25693 2067 1 6 . 1 1 63 63 MET HA H 63 4.706 4.706 4.670 0.036 25693 2068 1 6 . 1 1 63 63 MET C C 63 177.252 177.252 173.488 3.764 25693 2069 1 6 . 1 1 63 63 MET CA C 63 54.861 54.861 55.828 -0.967 25693 2070 1 6 . 1 1 63 63 MET CB C 63 31.514 31.514 34.291 -2.777 25693 2071 1 6 . 1 1 63 63 MET H H 63 8.245 8.245 8.452 -0.207 25693 2072 1 6 . 1 1 64 64 ASP N N 64 120.811 120.811 125.281 -4.470 25693 2073 1 6 . 1 1 64 64 ASP C C 64 177.786 177.786 174.769 3.017 25693 2074 1 6 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.897 2.571 25693 2075 1 6 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.373 -8.996 25693 2076 1 6 . 1 1 64 64 ASP H H 64 8.251 8.251 8.355 -0.104 25693 2077 1 6 . 1 1 65 65 ARG N N 65 120.563 120.563 121.942 -1.379 25693 2078 1 6 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.544 -0.075 25693 2079 1 6 . 1 1 65 65 ARG C C 65 179.397 179.397 175.764 3.633 25693 2080 1 6 . 1 1 65 65 ARG CA C 65 57.080 57.080 56.024 1.056 25693 2081 1 6 . 1 1 65 65 ARG CB C 65 33.510 33.510 31.231 2.279 25693 2082 1 6 . 1 1 65 65 ARG H H 65 8.145 8.145 8.423 -0.278 25693 2083 1 7 . 1 1 2 2 GLY C C 2 176.333 176.333 174.411 1.922 25693 2084 1 7 . 1 1 2 2 GLY CA C 2 52.881 52.881 45.238 7.643 25693 2085 1 7 . 1 1 3 3 SER N N 3 119.606 119.606 115.834 3.772 25693 2086 1 7 . 1 1 3 3 SER C C 3 171.619 171.619 174.023 -2.404 25693 2087 1 7 . 1 1 3 3 SER CA C 3 62.684 62.684 58.096 4.588 25693 2088 1 7 . 1 1 3 3 SER CB C 3 62.684 62.684 64.342 -1.658 25693 2089 1 7 . 1 1 3 3 SER H H 3 8.031 8.031 8.054 -0.023 25693 2090 1 7 . 1 1 4 4 GLU N N 4 122.937 122.937 123.213 -0.276 25693 2091 1 7 . 1 1 4 4 GLU C C 4 178.452 178.452 175.823 2.629 25693 2092 1 7 . 1 1 4 4 GLU CA C 4 57.387 57.387 55.939 1.448 25693 2093 1 7 . 1 1 4 4 GLU CB C 4 30.575 30.575 28.968 1.607 25693 2094 1 7 . 1 1 4 4 GLU H H 4 7.979 7.979 8.126 -0.147 25693 2095 1 7 . 1 1 5 5 VAL N N 5 120.522 120.522 126.825 -6.303 25693 2096 1 7 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.241 0.028 25693 2097 1 7 . 1 1 5 5 VAL CA C 5 62.840 62.840 61.446 1.394 25693 2098 1 7 . 1 1 5 5 VAL CB C 5 33.194 33.194 31.628 1.567 25693 2099 1 7 . 1 1 5 5 VAL H H 5 8.185 8.185 8.002 0.183 25693 2100 1 7 . 1 1 6 6 SER N N 6 119.109 119.109 124.817 -5.708 25693 2101 1 7 . 1 1 6 6 SER HA H 6 4.560 4.560 4.568 -0.008 25693 2102 1 7 . 1 1 6 6 SER CA C 6 58.826 58.826 57.637 1.189 25693 2103 1 7 . 1 1 6 6 SER CB C 6 64.865 64.865 63.206 1.659 25693 2104 1 7 . 1 1 6 6 SER H H 6 8.340 8.340 8.807 -0.467 25693 2105 1 7 . 1 1 7 7 ASP N N 7 122.786 122.786 126.069 -3.283 25693 2106 1 7 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.632 0.074 25693 2107 1 7 . 1 1 7 7 ASP C C 7 177.572 177.572 174.754 2.818 25693 2108 1 7 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.077 0.859 25693 2109 1 7 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.231 0.753 25693 2110 1 7 . 1 1 7 7 ASP H H 7 8.347 8.347 8.398 -0.051 25693 2111 1 7 . 1 1 8 8 LYS N N 8 119.939 119.939 124.274 -4.335 25693 2112 1 7 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.539 -0.132 25693 2113 1 7 . 1 1 8 8 LYS C C 8 178.323 178.323 176.267 2.056 25693 2114 1 7 . 1 1 8 8 LYS CA C 8 56.844 56.844 55.596 1.248 25693 2115 1 7 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.963 -2.887 25693 2116 1 7 . 1 1 8 8 LYS H H 8 8.060 8.060 7.924 0.136 25693 2117 1 7 . 1 1 9 9 ARG N N 9 121.813 121.813 118.305 3.508 25693 2118 1 7 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.094 0.375 25693 2119 1 7 . 1 1 9 9 ARG C C 9 178.148 178.148 175.078 3.070 25693 2120 1 7 . 1 1 9 9 ARG CA C 9 56.779 56.779 56.863 -0.084 25693 2121 1 7 . 1 1 9 9 ARG CB C 9 31.062 31.062 27.970 3.092 25693 2122 1 7 . 1 1 9 9 ARG H H 9 8.352 8.352 8.786 -0.434 25693 2123 1 7 . 1 1 10 10 THR N N 10 116.680 116.680 110.315 6.365 25693 2124 1 7 . 1 1 10 10 THR HA H 10 4.487 4.487 4.383 0.104 25693 2125 1 7 . 1 1 10 10 THR CA C 10 59.286 59.286 61.924 -2.638 25693 2126 1 7 . 1 1 10 10 THR CB C 10 64.412 64.412 69.256 -4.844 25693 2127 1 7 . 1 1 10 10 THR H H 10 8.263 8.263 7.881 0.382 25693 2128 1 7 . 1 1 11 11 CYS N N 11 124.443 124.443 123.186 1.257 25693 2129 1 7 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.796 1.496 25693 2130 1 7 . 1 1 11 11 CYS C C 11 169.873 169.873 174.392 -4.519 25693 2131 1 7 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.903 -2.293 25693 2132 1 7 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.375 13.866 25693 2133 1 7 . 1 1 11 11 CYS H H 11 8.166 8.166 8.572 -0.406 25693 2134 1 7 . 1 1 12 12 VAL N N 12 118.379 118.379 121.048 -2.669 25693 2135 1 7 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.683 0.030 25693 2136 1 7 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.731 0.239 25693 2137 1 7 . 1 1 12 12 VAL CB C 12 35.720 35.720 34.497 1.223 25693 2138 1 7 . 1 1 12 12 VAL H H 12 9.190 9.190 9.252 -0.062 25693 2139 1 7 . 1 1 13 13 SER N N 13 118.231 118.231 119.702 -1.471 25693 2140 1 7 . 1 1 13 13 SER HA H 13 5.457 5.457 5.196 0.261 25693 2141 1 7 . 1 1 13 13 SER CA C 13 57.815 57.815 57.230 0.585 25693 2142 1 7 . 1 1 13 13 SER CB C 13 66.744 66.744 65.676 1.068 25693 2143 1 7 . 1 1 13 13 SER H H 13 8.477 8.477 8.267 0.210 25693 2144 1 7 . 1 1 14 14 LEU N N 14 125.590 125.590 124.274 1.316 25693 2145 1 7 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.717 0.099 25693 2146 1 7 . 1 1 14 14 LEU C C 14 176.497 176.497 176.046 0.451 25693 2147 1 7 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.004 1.064 25693 2148 1 7 . 1 1 14 14 LEU CB C 14 45.750 45.750 45.512 0.238 25693 2149 1 7 . 1 1 14 14 LEU H H 14 9.031 9.031 9.148 -0.117 25693 2150 1 7 . 1 1 15 15 THR N N 15 121.083 121.083 118.184 2.899 25693 2151 1 7 . 1 1 15 15 THR HA H 15 4.870 4.870 4.505 0.365 25693 2152 1 7 . 1 1 15 15 THR C C 15 171.445 171.445 173.629 -2.184 25693 2153 1 7 . 1 1 15 15 THR CA C 15 62.607 62.607 62.365 0.241 25693 2154 1 7 . 1 1 15 15 THR CB C 15 70.127 70.127 69.598 0.529 25693 2155 1 7 . 1 1 15 15 THR H H 15 8.684 8.684 8.427 0.257 25693 2156 1 7 . 1 1 16 16 THR N N 16 117.142 117.142 119.836 -2.694 25693 2157 1 7 . 1 1 16 16 THR HA H 16 4.724 4.724 4.629 0.095 25693 2158 1 7 . 1 1 16 16 THR CA C 16 61.091 61.091 59.845 1.246 25693 2159 1 7 . 1 1 16 16 THR CB C 16 71.260 71.260 69.830 1.430 25693 2160 1 7 . 1 1 16 16 THR H H 16 8.114 8.114 8.382 -0.268 25693 2161 1 7 . 1 1 17 17 GLN N N 17 119.423 119.423 121.324 -1.901 25693 2162 1 7 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.188 0.309 25693 2163 1 7 . 1 1 17 17 GLN CA C 17 56.561 56.561 56.548 0.013 25693 2164 1 7 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.314 0.530 25693 2165 1 7 . 1 1 17 17 GLN H H 17 8.260 8.260 8.427 -0.167 25693 2166 1 7 . 1 1 18 18 ARG N N 18 119.630 119.630 122.213 -2.583 25693 2167 1 7 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.038 0.469 25693 2168 1 7 . 1 1 18 18 ARG C C 18 177.434 177.434 175.688 1.746 25693 2169 1 7 . 1 1 18 18 ARG CA C 18 57.111 57.111 57.025 0.086 25693 2170 1 7 . 1 1 18 18 ARG CB C 18 30.895 30.895 29.515 1.379 25693 2171 1 7 . 1 1 18 18 ARG H H 18 8.190 8.190 8.655 -0.465 25693 2172 1 7 . 1 1 19 19 LEU N N 19 125.797 125.797 127.312 -1.515 25693 2173 1 7 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.150 1.091 25693 2174 1 7 . 1 1 19 19 LEU CB C 19 43.403 43.403 44.071 -0.668 25693 2175 1 7 . 1 1 19 19 LEU H H 19 8.674 8.674 8.099 0.575 25693 2176 1 7 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.517 0.271 25693 2177 1 7 . 1 1 20 20 PRO C C 20 177.352 177.352 175.793 1.559 25693 2178 1 7 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.813 0.333 25693 2179 1 7 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.953 -2.461 25693 2180 1 7 . 1 1 21 21 VAL N N 21 119.308 119.308 117.638 1.670 25693 2181 1 7 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.461 -0.323 25693 2182 1 7 . 1 1 21 21 VAL CA C 21 61.308 61.308 59.551 1.757 25693 2183 1 7 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.774 -0.146 25693 2184 1 7 . 1 1 21 21 VAL H H 21 7.850 7.850 7.513 0.337 25693 2185 1 7 . 1 1 22 22 SER N N 22 121.709 121.709 117.126 4.583 25693 2186 1 7 . 1 1 22 22 SER HA H 22 4.589 4.589 4.448 0.141 25693 2187 1 7 . 1 1 22 22 SER C C 22 170.922 170.922 174.498 -3.576 25693 2188 1 7 . 1 1 22 22 SER CA C 22 59.316 59.316 60.280 -0.964 25693 2189 1 7 . 1 1 22 22 SER CB C 22 64.576 64.576 63.327 1.249 25693 2190 1 7 . 1 1 22 22 SER H H 22 8.671 8.671 8.607 0.064 25693 2191 1 7 . 1 1 23 23 ARG N N 23 120.473 120.473 115.621 4.852 25693 2192 1 7 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.475 0.104 25693 2193 1 7 . 1 1 23 23 ARG C C 23 171.215 171.215 173.451 -2.236 25693 2194 1 7 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.127 0.269 25693 2195 1 7 . 1 1 23 23 ARG CB C 23 32.391 32.391 31.052 1.339 25693 2196 1 7 . 1 1 23 23 ARG H H 23 7.828 7.828 7.552 0.276 25693 2197 1 7 . 1 1 24 24 ILE N N 24 120.563 120.563 121.601 -1.038 25693 2198 1 7 . 1 1 24 24 ILE HA H 24 4.435 4.435 5.065 -0.630 25693 2199 1 7 . 1 1 24 24 ILE C C 24 176.100 176.100 176.500 -0.400 25693 2200 1 7 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.170 3.333 25693 2201 1 7 . 1 1 24 24 ILE CB C 24 39.509 39.509 37.523 1.986 25693 2202 1 7 . 1 1 24 24 ILE H H 24 8.085 8.085 8.354 -0.269 25693 2203 1 7 . 1 1 25 25 LYS N N 25 127.474 127.474 127.514 -0.040 25693 2204 1 7 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.605 0.166 25693 2205 1 7 . 1 1 25 25 LYS C C 25 173.336 173.336 174.214 -0.878 25693 2206 1 7 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.407 0.713 25693 2207 1 7 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.694 0.131 25693 2208 1 7 . 1 1 25 25 LYS H H 25 8.526 8.526 8.312 0.214 25693 2209 1 7 . 1 1 26 26 THR N N 26 114.644 114.644 112.435 2.209 25693 2210 1 7 . 1 1 26 26 THR HA H 26 5.512 5.512 5.439 0.073 25693 2211 1 7 . 1 1 26 26 THR C C 26 169.422 169.422 173.727 -4.305 25693 2212 1 7 . 1 1 26 26 THR CA C 26 60.264 60.264 59.902 0.362 25693 2213 1 7 . 1 1 26 26 THR CB C 26 72.098 72.098 70.078 2.020 25693 2214 1 7 . 1 1 26 26 THR H H 26 7.998 7.998 7.938 0.060 25693 2215 1 7 . 1 1 27 27 TYR N N 27 122.745 122.745 125.415 -2.670 25693 2216 1 7 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.624 0.253 25693 2217 1 7 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.096 0.235 25693 2218 1 7 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.480 1.121 25693 2219 1 7 . 1 1 27 27 TYR H H 27 8.848 8.848 8.504 0.344 25693 2220 1 7 . 1 1 28 28 THR N N 28 117.167 117.167 119.550 -2.383 25693 2221 1 7 . 1 1 28 28 THR HA H 28 5.005 5.005 5.279 -0.274 25693 2222 1 7 . 1 1 28 28 THR C C 28 169.027 169.027 173.795 -4.768 25693 2223 1 7 . 1 1 28 28 THR CA C 28 61.921 61.921 61.549 0.372 25693 2224 1 7 . 1 1 28 28 THR CB C 28 70.988 70.988 69.841 1.147 25693 2225 1 7 . 1 1 28 28 THR H H 28 8.532 8.532 8.563 -0.031 25693 2226 1 7 . 1 1 29 29 ILE N N 29 124.474 124.474 129.398 -4.924 25693 2227 1 7 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.374 -0.022 25693 2228 1 7 . 1 1 29 29 ILE C C 29 171.747 171.747 174.867 -3.120 25693 2229 1 7 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.417 -0.212 25693 2230 1 7 . 1 1 29 29 ILE CB C 29 42.025 42.025 39.624 2.401 25693 2231 1 7 . 1 1 29 29 ILE H H 29 8.782 8.782 9.258 -0.476 25693 2232 1 7 . 1 1 30 30 THR N N 30 120.157 120.157 119.519 0.638 25693 2233 1 7 . 1 1 30 30 THR HA H 30 5.143 5.143 5.578 -0.435 25693 2234 1 7 . 1 1 30 30 THR C C 30 170.054 170.054 173.949 -3.895 25693 2235 1 7 . 1 1 30 30 THR CA C 30 60.664 60.664 59.704 0.960 25693 2236 1 7 . 1 1 30 30 THR CB C 30 71.397 71.397 69.437 1.960 25693 2237 1 7 . 1 1 30 30 THR H H 30 8.475 8.475 8.588 -0.113 25693 2238 1 7 . 1 1 31 31 GLU N N 31 126.425 126.425 124.404 2.021 25693 2239 1 7 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.491 0.160 25693 2240 1 7 . 1 1 31 31 GLU C C 31 176.004 176.004 176.389 -0.385 25693 2241 1 7 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.649 -0.437 25693 2242 1 7 . 1 1 31 31 GLU CB C 31 31.637 31.637 31.012 0.625 25693 2243 1 7 . 1 1 31 31 GLU H H 31 8.589 8.589 8.007 0.582 25693 2244 1 7 . 1 1 32 32 GLY N N 32 116.534 116.534 113.497 3.037 25693 2245 1 7 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.524 2.168 25693 2246 1 7 . 1 1 32 32 GLY H H 32 8.996 8.996 8.721 0.275 25693 2247 1 7 . 1 1 33 33 SER HA H 33 4.452 4.452 4.312 0.140 25693 2248 1 7 . 1 1 33 33 SER C C 33 173.267 173.267 173.051 0.216 25693 2249 1 7 . 1 1 33 33 SER CA C 33 59.715 59.715 58.620 1.095 25693 2250 1 7 . 1 1 33 33 SER CB C 33 59.715 59.715 62.878 -3.163 25693 2251 1 7 . 1 1 34 34 LEU N N 34 116.305 116.305 120.826 -4.521 25693 2252 1 7 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.478 0.183 25693 2253 1 7 . 1 1 34 34 LEU C C 34 173.314 173.314 174.066 -0.752 25693 2254 1 7 . 1 1 34 34 LEU CA C 34 55.304 55.304 55.180 0.124 25693 2255 1 7 . 1 1 34 34 LEU CB C 34 44.132 44.132 45.766 -1.634 25693 2256 1 7 . 1 1 34 34 LEU H H 34 8.425 8.425 8.368 0.057 25693 2257 1 7 . 1 1 35 35 ARG N N 35 127.474 127.474 127.429 0.045 25693 2258 1 7 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.272 -0.081 25693 2259 1 7 . 1 1 35 35 ARG C C 35 175.720 175.720 174.325 1.395 25693 2260 1 7 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.576 0.728 25693 2261 1 7 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.589 0.219 25693 2262 1 7 . 1 1 35 35 ARG H H 35 8.560 8.560 9.326 -0.766 25693 2263 1 7 . 1 1 36 36 CYS N N 36 122.335 122.335 125.775 -3.440 25693 2264 1 7 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.593 0.256 25693 2265 1 7 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.936 -2.097 25693 2266 1 7 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.983 19.082 25693 2267 1 7 . 1 1 36 36 CYS H H 36 9.179 9.179 9.195 -0.016 25693 2268 1 7 . 1 1 37 37 VAL N N 37 122.327 122.327 125.098 -2.771 25693 2269 1 7 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.245 -0.492 25693 2270 1 7 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.604 0.502 25693 2271 1 7 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.207 0.952 25693 2272 1 7 . 1 1 37 37 VAL H H 37 9.308 9.308 9.193 0.115 25693 2273 1 7 . 1 1 38 38 ILE N N 38 126.295 126.295 126.445 -0.150 25693 2274 1 7 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.979 -0.131 25693 2275 1 7 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.084 0.396 25693 2276 1 7 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.087 0.804 25693 2277 1 7 . 1 1 38 38 ILE H H 38 9.014 9.014 9.001 0.013 25693 2278 1 7 . 1 1 39 39 PHE N N 39 124.882 124.882 127.586 -2.704 25693 2279 1 7 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.027 0.280 25693 2280 1 7 . 1 1 39 39 PHE C C 39 174.855 174.855 175.274 -0.419 25693 2281 1 7 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.886 -0.388 25693 2282 1 7 . 1 1 39 39 PHE CB C 39 41.507 41.507 39.629 1.878 25693 2283 1 7 . 1 1 39 39 PHE H H 39 9.700 9.700 9.614 0.086 25693 2284 1 7 . 1 1 40 40 ILE N N 40 124.722 124.722 126.625 -1.903 25693 2285 1 7 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.522 0.200 25693 2286 1 7 . 1 1 40 40 ILE C C 40 173.603 173.603 175.389 -1.786 25693 2287 1 7 . 1 1 40 40 ILE CA C 40 61.736 61.736 60.831 0.904 25693 2288 1 7 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.227 0.684 25693 2289 1 7 . 1 1 40 40 ILE H H 40 9.313 9.313 8.764 0.549 25693 2290 1 7 . 1 1 41 41 THR N N 41 116.571 116.571 121.372 -4.801 25693 2291 1 7 . 1 1 41 41 THR HA H 41 4.988 4.988 4.670 0.318 25693 2292 1 7 . 1 1 41 41 THR C C 41 171.363 171.363 173.792 -2.429 25693 2293 1 7 . 1 1 41 41 THR CA C 41 59.776 59.776 59.599 0.178 25693 2294 1 7 . 1 1 41 41 THR CB C 41 72.930 72.930 71.036 1.894 25693 2295 1 7 . 1 1 41 41 THR H H 41 8.593 8.593 8.773 -0.180 25693 2296 1 7 . 1 1 42 42 LYS N N 42 116.228 116.228 115.328 0.900 25693 2297 1 7 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.480 -0.073 25693 2298 1 7 . 1 1 42 42 LYS CA C 42 59.500 59.500 56.751 2.749 25693 2299 1 7 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.829 1.504 25693 2300 1 7 . 1 1 42 42 LYS H H 42 8.597 8.597 8.554 0.043 25693 2301 1 7 . 1 1 43 43 ARG N N 43 113.916 113.916 115.434 -1.518 25693 2302 1 7 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.596 0.055 25693 2303 1 7 . 1 1 43 43 ARG C C 43 176.160 176.160 175.143 1.017 25693 2304 1 7 . 1 1 43 43 ARG CA C 43 55.212 55.212 56.078 -0.866 25693 2305 1 7 . 1 1 43 43 ARG CB C 43 31.550 31.550 33.854 -2.304 25693 2306 1 7 . 1 1 43 43 ARG H H 43 7.753 7.753 7.591 0.162 25693 2307 1 7 . 1 1 44 44 GLY N N 44 107.712 107.712 106.402 1.310 25693 2308 1 7 . 1 1 44 44 GLY C C 44 163.798 163.798 171.869 -8.071 25693 2309 1 7 . 1 1 44 44 GLY CA C 44 46.122 46.122 44.945 1.177 25693 2310 1 7 . 1 1 44 44 GLY H H 44 7.498 7.498 8.090 -0.592 25693 2311 1 7 . 1 1 45 45 LEU N N 45 120.948 120.948 120.685 0.263 25693 2312 1 7 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.431 0.100 25693 2313 1 7 . 1 1 45 45 LEU C C 45 175.801 175.801 174.875 0.926 25693 2314 1 7 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.329 -0.128 25693 2315 1 7 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.691 0.755 25693 2316 1 7 . 1 1 45 45 LEU H H 45 8.374 8.374 9.145 -0.771 25693 2317 1 7 . 1 1 46 46 LYS N N 46 124.968 124.968 124.410 0.558 25693 2318 1 7 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.095 0.238 25693 2319 1 7 . 1 1 46 46 LYS C C 46 171.169 171.169 174.011 -2.842 25693 2320 1 7 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.210 0.645 25693 2321 1 7 . 1 1 46 46 LYS CB C 46 36.746 36.746 36.363 0.383 25693 2322 1 7 . 1 1 46 46 LYS H H 46 9.115 9.115 9.251 -0.136 25693 2323 1 7 . 1 1 47 47 VAL N N 47 126.006 126.006 126.410 -0.404 25693 2324 1 7 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.391 -0.138 25693 2325 1 7 . 1 1 47 47 VAL C C 47 173.892 173.892 173.182 0.710 25693 2326 1 7 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.635 1.305 25693 2327 1 7 . 1 1 47 47 VAL CB C 47 34.851 34.851 35.583 -0.732 25693 2328 1 7 . 1 1 47 47 VAL H H 47 9.221 9.221 9.234 -0.013 25693 2329 1 7 . 1 1 48 48 CYS N N 48 123.279 123.279 128.219 -4.940 25693 2330 1 7 . 1 1 48 48 CYS HA H 48 6.040 6.040 4.921 1.119 25693 2331 1 7 . 1 1 48 48 CYS C C 48 172.554 172.554 173.382 -0.828 25693 2332 1 7 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.095 -2.914 25693 2333 1 7 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.261 20.401 25693 2334 1 7 . 1 1 48 48 CYS H H 48 9.201 9.201 9.045 0.156 25693 2335 1 7 . 1 1 49 49 CYS N N 49 119.872 119.872 128.330 -8.458 25693 2336 1 7 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.638 0.041 25693 2337 1 7 . 1 1 49 49 CYS CA C 49 56.214 56.214 57.764 -1.550 25693 2338 1 7 . 1 1 49 49 CYS CB C 49 48.015 48.015 30.923 17.092 25693 2339 1 7 . 1 1 49 49 CYS H H 49 9.117 9.117 8.743 0.374 25693 2340 1 7 . 1 1 50 50 ASP N N 50 123.093 123.093 122.028 1.065 25693 2341 1 7 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.283 -0.121 25693 2342 1 7 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.840 1.029 25693 2343 1 7 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.631 -1.793 25693 2344 1 7 . 1 1 50 50 ASP H H 50 8.837 8.837 9.179 -0.342 25693 2345 1 7 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.494 0.231 25693 2346 1 7 . 1 1 51 51 PRO C C 51 178.489 178.489 175.860 2.629 25693 2347 1 7 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.352 0.223 25693 2348 1 7 . 1 1 51 51 PRO CB C 51 32.550 32.550 30.577 1.973 25693 2349 1 7 . 1 1 52 52 GLN N N 52 120.594 120.594 112.991 7.603 25693 2350 1 7 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.096 0.272 25693 2351 1 7 . 1 1 52 52 GLN C C 52 175.779 175.779 175.135 0.644 25693 2352 1 7 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.879 -0.724 25693 2353 1 7 . 1 1 52 52 GLN CB C 52 30.069 30.069 25.972 4.097 25693 2354 1 7 . 1 1 52 52 GLN H H 52 8.504 8.504 8.290 0.214 25693 2355 1 7 . 1 1 53 53 ALA N N 53 124.936 124.936 120.205 4.731 25693 2356 1 7 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.358 -0.016 25693 2357 1 7 . 1 1 53 53 ALA CA C 53 53.214 53.214 54.096 -0.882 25693 2358 1 7 . 1 1 53 53 ALA CB C 53 19.978 19.978 19.478 0.500 25693 2359 1 7 . 1 1 53 53 ALA H H 53 8.290 8.290 8.721 -0.431 25693 2360 1 7 . 1 1 54 54 THR N N 54 112.200 112.200 112.997 -0.797 25693 2361 1 7 . 1 1 54 54 THR HA H 54 4.318 4.318 4.366 -0.048 25693 2362 1 7 . 1 1 54 54 THR CA C 54 62.594 62.594 62.245 0.349 25693 2363 1 7 . 1 1 54 54 THR CB C 54 70.341 70.341 69.569 0.772 25693 2364 1 7 . 1 1 54 54 THR H H 54 8.011 8.011 8.061 -0.050 25693 2365 1 7 . 1 1 55 55 TRP N N 55 122.937 122.937 124.746 -1.809 25693 2366 1 7 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.780 0.023 25693 2367 1 7 . 1 1 55 55 TRP C C 55 176.602 176.602 176.154 0.448 25693 2368 1 7 . 1 1 55 55 TRP CA C 55 57.651 57.651 56.985 0.666 25693 2369 1 7 . 1 1 55 55 TRP CB C 55 30.105 30.105 27.917 2.188 25693 2370 1 7 . 1 1 55 55 TRP H H 55 7.979 7.979 7.838 0.141 25693 2371 1 7 . 1 1 56 56 VAL N N 56 121.829 121.829 118.053 3.776 25693 2372 1 7 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.531 -0.500 25693 2373 1 7 . 1 1 56 56 VAL C C 56 175.779 175.779 175.386 0.393 25693 2374 1 7 . 1 1 56 56 VAL CA C 56 63.060 63.060 61.317 1.743 25693 2375 1 7 . 1 1 56 56 VAL CB C 56 33.012 33.012 33.040 -0.028 25693 2376 1 7 . 1 1 56 56 VAL H H 56 7.817 7.817 7.636 0.181 25693 2377 1 7 . 1 1 57 57 ARG N N 57 123.817 123.817 125.582 -1.765 25693 2378 1 7 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.620 -0.315 25693 2379 1 7 . 1 1 57 57 ARG C C 57 176.484 176.484 175.305 1.179 25693 2380 1 7 . 1 1 57 57 ARG CA C 57 56.741 56.741 55.140 1.601 25693 2381 1 7 . 1 1 57 57 ARG CB C 57 31.502 31.502 33.095 -1.593 25693 2382 1 7 . 1 1 57 57 ARG H H 57 8.087 8.087 8.496 -0.409 25693 2383 1 7 . 1 1 58 58 ASP N N 58 121.452 121.452 124.027 -2.575 25693 2384 1 7 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.587 0.130 25693 2385 1 7 . 1 1 58 58 ASP C C 58 177.508 177.508 176.830 0.678 25693 2386 1 7 . 1 1 58 58 ASP CA C 58 54.966 54.966 55.397 -0.430 25693 2387 1 7 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.099 0.922 25693 2388 1 7 . 1 1 58 58 ASP H H 58 8.240 8.240 8.623 -0.383 25693 2389 1 7 . 1 1 59 59 VAL N N 59 120.104 120.104 121.173 -1.069 25693 2390 1 7 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.265 -0.098 25693 2391 1 7 . 1 1 59 59 VAL C C 59 177.636 177.636 176.407 1.229 25693 2392 1 7 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.080 1.067 25693 2393 1 7 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.119 1.258 25693 2394 1 7 . 1 1 59 59 VAL H H 59 8.059 8.059 8.136 -0.077 25693 2395 1 7 . 1 1 60 60 VAL N N 60 123.394 123.394 121.596 1.798 25693 2396 1 7 . 1 1 60 60 VAL HA H 60 4.143 4.143 4.117 0.026 25693 2397 1 7 . 1 1 60 60 VAL C C 60 177.956 177.956 175.427 2.529 25693 2398 1 7 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.393 1.059 25693 2399 1 7 . 1 1 60 60 VAL CB C 60 33.012 33.012 32.581 0.431 25693 2400 1 7 . 1 1 60 60 VAL H H 60 8.115 8.115 7.589 0.526 25693 2401 1 7 . 1 1 61 61 ARG N N 61 124.402 124.402 124.641 -0.239 25693 2402 1 7 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.653 -0.020 25693 2403 1 7 . 1 1 61 61 ARG C C 61 177.786 177.786 175.657 2.129 25693 2404 1 7 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.382 1.331 25693 2405 1 7 . 1 1 61 61 ARG CB C 61 31.306 31.306 31.218 0.088 25693 2406 1 7 . 1 1 61 61 ARG H H 61 8.350 8.350 8.220 0.130 25693 2407 1 7 . 1 1 62 62 SER N N 62 121.629 121.629 117.220 4.409 25693 2408 1 7 . 1 1 62 62 SER HA H 62 4.579 4.579 4.351 0.228 25693 2409 1 7 . 1 1 62 62 SER C C 62 177.687 177.687 174.170 3.517 25693 2410 1 7 . 1 1 62 62 SER CA C 62 56.270 56.270 58.316 -2.046 25693 2411 1 7 . 1 1 62 62 SER CB C 62 70.537 70.537 63.706 6.832 25693 2412 1 7 . 1 1 62 62 SER H H 62 8.253 8.253 8.850 -0.597 25693 2413 1 7 . 1 1 63 63 MET N N 63 121.452 121.452 121.292 0.160 25693 2414 1 7 . 1 1 63 63 MET HA H 63 4.706 4.706 4.294 0.412 25693 2415 1 7 . 1 1 63 63 MET C C 63 177.252 177.252 173.508 3.744 25693 2416 1 7 . 1 1 63 63 MET CA C 63 54.861 54.861 55.759 -0.898 25693 2417 1 7 . 1 1 63 63 MET CB C 63 31.514 31.514 32.543 -1.029 25693 2418 1 7 . 1 1 63 63 MET H H 63 8.245 8.245 7.779 0.466 25693 2419 1 7 . 1 1 64 64 ASP N N 64 120.811 120.811 124.299 -3.488 25693 2420 1 7 . 1 1 64 64 ASP C C 64 177.786 177.786 175.036 2.750 25693 2421 1 7 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.269 3.199 25693 2422 1 7 . 1 1 64 64 ASP CB C 64 33.377 33.377 43.131 -9.754 25693 2423 1 7 . 1 1 64 64 ASP H H 64 8.251 8.251 8.428 -0.177 25693 2424 1 7 . 1 1 65 65 ARG N N 65 120.563 120.563 120.239 0.324 25693 2425 1 7 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.625 -0.156 25693 2426 1 7 . 1 1 65 65 ARG C C 65 179.397 179.397 176.217 3.180 25693 2427 1 7 . 1 1 65 65 ARG CA C 65 57.080 57.080 55.344 1.736 25693 2428 1 7 . 1 1 65 65 ARG CB C 65 33.510 33.510 31.401 2.109 25693 2429 1 7 . 1 1 65 65 ARG H H 65 8.145 8.145 8.490 -0.345 25693 2430 1 8 . 1 1 2 2 GLY C C 2 176.333 176.333 174.276 2.057 25693 2431 1 8 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.401 8.479 25693 2432 1 8 . 1 1 3 3 SER N N 3 119.606 119.606 115.751 3.855 25693 2433 1 8 . 1 1 3 3 SER C C 3 171.619 171.619 174.238 -2.619 25693 2434 1 8 . 1 1 3 3 SER CA C 3 62.684 62.684 58.077 4.607 25693 2435 1 8 . 1 1 3 3 SER CB C 3 62.684 62.684 63.645 -0.961 25693 2436 1 8 . 1 1 3 3 SER H H 3 8.031 8.031 8.365 -0.334 25693 2437 1 8 . 1 1 4 4 GLU N N 4 122.937 122.937 126.529 -3.592 25693 2438 1 8 . 1 1 4 4 GLU C C 4 178.452 178.452 175.726 2.726 25693 2439 1 8 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.377 1.010 25693 2440 1 8 . 1 1 4 4 GLU CB C 4 30.575 30.575 30.337 0.239 25693 2441 1 8 . 1 1 4 4 GLU H H 4 7.979 7.979 8.632 -0.653 25693 2442 1 8 . 1 1 5 5 VAL N N 5 120.522 120.522 124.335 -3.813 25693 2443 1 8 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.264 0.005 25693 2444 1 8 . 1 1 5 5 VAL CA C 5 62.840 62.840 61.487 1.353 25693 2445 1 8 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.527 0.667 25693 2446 1 8 . 1 1 5 5 VAL H H 5 8.185 8.185 8.372 -0.187 25693 2447 1 8 . 1 1 6 6 SER N N 6 119.109 119.109 122.355 -3.246 25693 2448 1 8 . 1 1 6 6 SER HA H 6 4.560 4.560 4.591 -0.031 25693 2449 1 8 . 1 1 6 6 SER CA C 6 58.826 58.826 57.511 1.315 25693 2450 1 8 . 1 1 6 6 SER CB C 6 64.865 64.865 64.688 0.177 25693 2451 1 8 . 1 1 6 6 SER H H 6 8.340 8.340 8.560 -0.220 25693 2452 1 8 . 1 1 7 7 ASP N N 7 122.786 122.786 125.966 -3.180 25693 2453 1 8 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.662 0.044 25693 2454 1 8 . 1 1 7 7 ASP C C 7 177.572 177.572 175.790 1.782 25693 2455 1 8 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.731 0.205 25693 2456 1 8 . 1 1 7 7 ASP CB C 7 41.984 41.984 40.020 1.964 25693 2457 1 8 . 1 1 7 7 ASP H H 7 8.347 8.347 8.748 -0.401 25693 2458 1 8 . 1 1 8 8 LYS N N 8 119.939 119.939 122.404 -2.465 25693 2459 1 8 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.169 0.238 25693 2460 1 8 . 1 1 8 8 LYS C C 8 178.323 178.323 177.225 1.098 25693 2461 1 8 . 1 1 8 8 LYS CA C 8 56.844 56.844 58.371 -1.527 25693 2462 1 8 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.044 -1.968 25693 2463 1 8 . 1 1 8 8 LYS H H 8 8.060 8.060 8.005 0.055 25693 2464 1 8 . 1 1 9 9 ARG N N 9 121.813 121.813 120.267 1.546 25693 2465 1 8 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.550 -0.081 25693 2466 1 8 . 1 1 9 9 ARG C C 9 178.148 178.148 175.635 2.513 25693 2467 1 8 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.835 0.944 25693 2468 1 8 . 1 1 9 9 ARG CB C 9 31.062 31.062 29.523 1.540 25693 2469 1 8 . 1 1 9 9 ARG H H 9 8.352 8.352 8.113 0.239 25693 2470 1 8 . 1 1 10 10 THR N N 10 116.680 116.680 120.779 -4.099 25693 2471 1 8 . 1 1 10 10 THR HA H 10 4.487 4.487 4.487 -0.000 25693 2472 1 8 . 1 1 10 10 THR CA C 10 59.286 59.286 62.754 -3.468 25693 2473 1 8 . 1 1 10 10 THR CB C 10 64.412 64.412 70.095 -5.683 25693 2474 1 8 . 1 1 10 10 THR H H 10 8.263 8.263 8.015 0.248 25693 2475 1 8 . 1 1 11 11 CYS N N 11 124.443 124.443 125.735 -1.292 25693 2476 1 8 . 1 1 11 11 CYS HA H 11 6.292 6.292 5.305 0.987 25693 2477 1 8 . 1 1 11 11 CYS C C 11 169.873 169.873 173.764 -3.891 25693 2478 1 8 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.003 -1.393 25693 2479 1 8 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.335 13.906 25693 2480 1 8 . 1 1 11 11 CYS H H 11 8.166 8.166 8.794 -0.628 25693 2481 1 8 . 1 1 12 12 VAL N N 12 118.379 118.379 120.082 -1.703 25693 2482 1 8 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.686 0.027 25693 2483 1 8 . 1 1 12 12 VAL CA C 12 60.970 60.970 59.906 1.064 25693 2484 1 8 . 1 1 12 12 VAL CB C 12 35.720 35.720 34.612 1.108 25693 2485 1 8 . 1 1 12 12 VAL H H 12 9.190 9.190 9.273 -0.083 25693 2486 1 8 . 1 1 13 13 SER N N 13 118.231 118.231 119.586 -1.355 25693 2487 1 8 . 1 1 13 13 SER HA H 13 5.457 5.457 5.224 0.233 25693 2488 1 8 . 1 1 13 13 SER CA C 13 57.815 57.815 57.052 0.763 25693 2489 1 8 . 1 1 13 13 SER CB C 13 66.744 66.744 65.500 1.244 25693 2490 1 8 . 1 1 13 13 SER H H 13 8.477 8.477 8.191 0.286 25693 2491 1 8 . 1 1 14 14 LEU N N 14 125.590 125.590 125.491 0.099 25693 2492 1 8 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.666 0.150 25693 2493 1 8 . 1 1 14 14 LEU C C 14 176.497 176.497 175.951 0.546 25693 2494 1 8 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.160 0.908 25693 2495 1 8 . 1 1 14 14 LEU CB C 14 45.750 45.750 45.216 0.534 25693 2496 1 8 . 1 1 14 14 LEU H H 14 9.031 9.031 8.710 0.321 25693 2497 1 8 . 1 1 15 15 THR N N 15 121.083 121.083 120.139 0.944 25693 2498 1 8 . 1 1 15 15 THR HA H 15 4.870 4.870 4.648 0.222 25693 2499 1 8 . 1 1 15 15 THR C C 15 171.445 171.445 173.562 -2.117 25693 2500 1 8 . 1 1 15 15 THR CA C 15 62.607 62.607 62.220 0.387 25693 2501 1 8 . 1 1 15 15 THR CB C 15 70.127 70.127 69.109 1.018 25693 2502 1 8 . 1 1 15 15 THR H H 15 8.684 8.684 8.527 0.157 25693 2503 1 8 . 1 1 16 16 THR N N 16 117.142 117.142 119.934 -2.792 25693 2504 1 8 . 1 1 16 16 THR HA H 16 4.724 4.724 4.473 0.251 25693 2505 1 8 . 1 1 16 16 THR CA C 16 61.091 61.091 61.233 -0.142 25693 2506 1 8 . 1 1 16 16 THR CB C 16 71.260 71.260 70.176 1.084 25693 2507 1 8 . 1 1 16 16 THR H H 16 8.114 8.114 8.321 -0.207 25693 2508 1 8 . 1 1 17 17 GLN N N 17 119.423 119.423 123.761 -4.338 25693 2509 1 8 . 1 1 17 17 GLN HA H 17 4.497 4.497 3.947 0.550 25693 2510 1 8 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.282 -0.721 25693 2511 1 8 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.264 0.580 25693 2512 1 8 . 1 1 17 17 GLN H H 17 8.260 8.260 8.634 -0.374 25693 2513 1 8 . 1 1 18 18 ARG N N 18 119.630 119.630 119.933 -0.303 25693 2514 1 8 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.736 -0.229 25693 2515 1 8 . 1 1 18 18 ARG C C 18 177.434 177.434 175.018 2.416 25693 2516 1 8 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.012 2.099 25693 2517 1 8 . 1 1 18 18 ARG CB C 18 30.895 30.895 30.340 0.555 25693 2518 1 8 . 1 1 18 18 ARG H H 18 8.190 8.190 8.326 -0.136 25693 2519 1 8 . 1 1 19 19 LEU N N 19 125.797 125.797 119.581 6.216 25693 2520 1 8 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.431 0.810 25693 2521 1 8 . 1 1 19 19 LEU CB C 19 43.403 43.403 42.262 1.141 25693 2522 1 8 . 1 1 19 19 LEU H H 19 8.674 8.674 7.872 0.802 25693 2523 1 8 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.468 0.320 25693 2524 1 8 . 1 1 20 20 PRO C C 20 177.352 177.352 176.089 1.263 25693 2525 1 8 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.946 0.200 25693 2526 1 8 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.834 -2.342 25693 2527 1 8 . 1 1 21 21 VAL N N 21 119.308 119.308 117.816 1.492 25693 2528 1 8 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.550 -0.412 25693 2529 1 8 . 1 1 21 21 VAL CA C 21 61.308 61.308 61.036 0.272 25693 2530 1 8 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.305 0.323 25693 2531 1 8 . 1 1 21 21 VAL H H 21 7.850 7.850 7.897 -0.047 25693 2532 1 8 . 1 1 22 22 SER N N 22 121.709 121.709 120.888 0.821 25693 2533 1 8 . 1 1 22 22 SER HA H 22 4.589 4.589 4.335 0.254 25693 2534 1 8 . 1 1 22 22 SER C C 22 170.922 170.922 174.674 -3.752 25693 2535 1 8 . 1 1 22 22 SER CA C 22 59.316 59.316 59.376 -0.059 25693 2536 1 8 . 1 1 22 22 SER CB C 22 64.576 64.576 63.761 0.815 25693 2537 1 8 . 1 1 22 22 SER H H 22 8.671 8.671 8.812 -0.141 25693 2538 1 8 . 1 1 23 23 ARG N N 23 120.473 120.473 119.937 0.536 25693 2539 1 8 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.399 0.180 25693 2540 1 8 . 1 1 23 23 ARG C C 23 171.215 171.215 174.047 -2.832 25693 2541 1 8 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.414 -0.018 25693 2542 1 8 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.365 0.026 25693 2543 1 8 . 1 1 23 23 ARG H H 23 7.828 7.828 7.652 0.176 25693 2544 1 8 . 1 1 24 24 ILE N N 24 120.563 120.563 125.168 -4.605 25693 2545 1 8 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.588 -0.153 25693 2546 1 8 . 1 1 24 24 ILE C C 24 176.100 176.100 176.068 0.032 25693 2547 1 8 . 1 1 24 24 ILE CA C 24 62.503 62.503 61.045 1.458 25693 2548 1 8 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.585 2.924 25693 2549 1 8 . 1 1 24 24 ILE H H 24 8.085 8.085 8.510 -0.425 25693 2550 1 8 . 1 1 25 25 LYS N N 25 127.474 127.474 127.234 0.240 25693 2551 1 8 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.671 0.100 25693 2552 1 8 . 1 1 25 25 LYS C C 25 173.336 173.336 175.161 -1.825 25693 2553 1 8 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.606 0.514 25693 2554 1 8 . 1 1 25 25 LYS CB C 25 35.825 35.825 34.894 0.931 25693 2555 1 8 . 1 1 25 25 LYS H H 25 8.526 8.526 7.857 0.669 25693 2556 1 8 . 1 1 26 26 THR N N 26 114.644 114.644 112.551 2.093 25693 2557 1 8 . 1 1 26 26 THR HA H 26 5.512 5.512 5.456 0.056 25693 2558 1 8 . 1 1 26 26 THR C C 26 169.422 169.422 173.808 -4.386 25693 2559 1 8 . 1 1 26 26 THR CA C 26 60.264 60.264 59.809 0.455 25693 2560 1 8 . 1 1 26 26 THR CB C 26 72.098 72.098 70.437 1.661 25693 2561 1 8 . 1 1 26 26 THR H H 26 7.998 7.998 8.049 -0.051 25693 2562 1 8 . 1 1 27 27 TYR N N 27 122.745 122.745 125.477 -2.732 25693 2563 1 8 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.670 0.207 25693 2564 1 8 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.270 0.061 25693 2565 1 8 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.688 0.914 25693 2566 1 8 . 1 1 27 27 TYR H H 27 8.848 8.848 8.887 -0.039 25693 2567 1 8 . 1 1 28 28 THR N N 28 117.167 117.167 119.058 -1.891 25693 2568 1 8 . 1 1 28 28 THR HA H 28 5.005 5.005 5.394 -0.389 25693 2569 1 8 . 1 1 28 28 THR C C 28 169.027 169.027 173.705 -4.678 25693 2570 1 8 . 1 1 28 28 THR CA C 28 61.921 61.921 61.513 0.408 25693 2571 1 8 . 1 1 28 28 THR CB C 28 70.988 70.988 70.197 0.791 25693 2572 1 8 . 1 1 28 28 THR H H 28 8.532 8.532 8.488 0.044 25693 2573 1 8 . 1 1 29 29 ILE N N 29 124.474 124.474 128.656 -4.182 25693 2574 1 8 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.394 -0.042 25693 2575 1 8 . 1 1 29 29 ILE C C 29 171.747 171.747 175.042 -3.295 25693 2576 1 8 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.493 -0.288 25693 2577 1 8 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.419 1.606 25693 2578 1 8 . 1 1 29 29 ILE H H 29 8.782 8.782 9.273 -0.491 25693 2579 1 8 . 1 1 30 30 THR N N 30 120.157 120.157 118.769 1.388 25693 2580 1 8 . 1 1 30 30 THR HA H 30 5.143 5.143 5.085 0.058 25693 2581 1 8 . 1 1 30 30 THR C C 30 170.054 170.054 174.027 -3.973 25693 2582 1 8 . 1 1 30 30 THR CA C 30 60.664 60.664 60.064 0.600 25693 2583 1 8 . 1 1 30 30 THR CB C 30 71.397 71.397 69.467 1.930 25693 2584 1 8 . 1 1 30 30 THR H H 30 8.475 8.475 8.603 -0.128 25693 2585 1 8 . 1 1 31 31 GLU N N 31 126.425 126.425 126.226 0.199 25693 2586 1 8 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.410 0.241 25693 2587 1 8 . 1 1 31 31 GLU C C 31 176.004 176.004 176.669 -0.665 25693 2588 1 8 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.439 -0.227 25693 2589 1 8 . 1 1 31 31 GLU CB C 31 31.637 31.637 28.847 2.790 25693 2590 1 8 . 1 1 31 31 GLU H H 31 8.589 8.589 8.234 0.355 25693 2591 1 8 . 1 1 32 32 GLY N N 32 116.534 116.534 115.410 1.124 25693 2592 1 8 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.367 2.325 25693 2593 1 8 . 1 1 32 32 GLY H H 32 8.996 8.996 8.751 0.245 25693 2594 1 8 . 1 1 33 33 SER HA H 33 4.452 4.452 4.079 0.373 25693 2595 1 8 . 1 1 33 33 SER C C 33 173.267 173.267 173.258 0.009 25693 2596 1 8 . 1 1 33 33 SER CA C 33 59.715 59.715 58.884 0.831 25693 2597 1 8 . 1 1 33 33 SER CB C 33 59.715 59.715 63.328 -3.613 25693 2598 1 8 . 1 1 34 34 LEU N N 34 116.305 116.305 119.884 -3.579 25693 2599 1 8 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.580 0.081 25693 2600 1 8 . 1 1 34 34 LEU C C 34 173.314 173.314 175.066 -1.752 25693 2601 1 8 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.221 1.083 25693 2602 1 8 . 1 1 34 34 LEU CB C 34 44.132 44.132 43.926 0.206 25693 2603 1 8 . 1 1 34 34 LEU H H 34 8.425 8.425 7.554 0.871 25693 2604 1 8 . 1 1 35 35 ARG N N 35 127.474 127.474 124.655 2.819 25693 2605 1 8 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.222 -0.031 25693 2606 1 8 . 1 1 35 35 ARG C C 35 175.720 175.720 175.075 0.645 25693 2607 1 8 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.676 0.628 25693 2608 1 8 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.035 0.773 25693 2609 1 8 . 1 1 35 35 ARG H H 35 8.560 8.560 9.284 -0.724 25693 2610 1 8 . 1 1 36 36 CYS N N 36 122.335 122.335 124.557 -2.222 25693 2611 1 8 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.302 0.547 25693 2612 1 8 . 1 1 36 36 CYS CA C 36 55.839 55.839 58.492 -2.652 25693 2613 1 8 . 1 1 36 36 CYS CB C 36 50.065 50.065 29.460 20.605 25693 2614 1 8 . 1 1 36 36 CYS H H 36 9.179 9.179 9.364 -0.185 25693 2615 1 8 . 1 1 37 37 VAL N N 37 122.327 122.327 125.655 -3.328 25693 2616 1 8 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.336 -0.583 25693 2617 1 8 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.702 0.404 25693 2618 1 8 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.309 0.850 25693 2619 1 8 . 1 1 37 37 VAL H H 37 9.308 9.308 9.513 -0.205 25693 2620 1 8 . 1 1 38 38 ILE N N 38 126.295 126.295 126.471 -0.176 25693 2621 1 8 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.996 -0.148 25693 2622 1 8 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.096 0.384 25693 2623 1 8 . 1 1 38 38 ILE CB C 38 40.891 40.891 39.968 0.923 25693 2624 1 8 . 1 1 38 38 ILE H H 38 9.014 9.014 9.124 -0.110 25693 2625 1 8 . 1 1 39 39 PHE N N 39 124.882 124.882 127.292 -2.410 25693 2626 1 8 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.321 -0.014 25693 2627 1 8 . 1 1 39 39 PHE C C 39 174.855 174.855 175.848 -0.993 25693 2628 1 8 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.354 0.144 25693 2629 1 8 . 1 1 39 39 PHE CB C 39 41.507 41.507 39.956 1.551 25693 2630 1 8 . 1 1 39 39 PHE H H 39 9.700 9.700 9.614 0.086 25693 2631 1 8 . 1 1 40 40 ILE N N 40 124.722 124.722 126.866 -2.144 25693 2632 1 8 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.398 0.324 25693 2633 1 8 . 1 1 40 40 ILE C C 40 173.603 173.603 175.291 -1.688 25693 2634 1 8 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.201 0.535 25693 2635 1 8 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.052 0.859 25693 2636 1 8 . 1 1 40 40 ILE H H 40 9.313 9.313 9.299 0.014 25693 2637 1 8 . 1 1 41 41 THR N N 41 116.571 116.571 118.263 -1.692 25693 2638 1 8 . 1 1 41 41 THR HA H 41 4.988 4.988 4.874 0.114 25693 2639 1 8 . 1 1 41 41 THR C C 41 171.363 171.363 175.257 -3.894 25693 2640 1 8 . 1 1 41 41 THR CA C 41 59.776 59.776 59.688 0.088 25693 2641 1 8 . 1 1 41 41 THR CB C 41 72.930 72.930 71.999 0.931 25693 2642 1 8 . 1 1 41 41 THR H H 41 8.593 8.593 9.105 -0.512 25693 2643 1 8 . 1 1 42 42 LYS N N 42 116.228 116.228 120.838 -4.610 25693 2644 1 8 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.542 -0.135 25693 2645 1 8 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.753 1.747 25693 2646 1 8 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.442 1.891 25693 2647 1 8 . 1 1 42 42 LYS H H 42 8.597 8.597 8.853 -0.256 25693 2648 1 8 . 1 1 43 43 ARG N N 43 113.916 113.916 116.814 -2.898 25693 2649 1 8 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.852 -0.201 25693 2650 1 8 . 1 1 43 43 ARG C C 43 176.160 176.160 175.240 0.920 25693 2651 1 8 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.273 -0.061 25693 2652 1 8 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.166 -0.616 25693 2653 1 8 . 1 1 43 43 ARG H H 43 7.753 7.753 7.389 0.364 25693 2654 1 8 . 1 1 44 44 GLY N N 44 107.712 107.712 106.938 0.774 25693 2655 1 8 . 1 1 44 44 GLY C C 44 163.798 163.798 172.073 -8.275 25693 2656 1 8 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.641 0.482 25693 2657 1 8 . 1 1 44 44 GLY H H 44 7.498 7.498 7.699 -0.201 25693 2658 1 8 . 1 1 45 45 LEU N N 45 120.948 120.948 119.435 1.513 25693 2659 1 8 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.362 0.169 25693 2660 1 8 . 1 1 45 45 LEU C C 45 175.801 175.801 174.645 1.156 25693 2661 1 8 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.558 -0.357 25693 2662 1 8 . 1 1 45 45 LEU CB C 45 47.446 47.446 47.588 -0.142 25693 2663 1 8 . 1 1 45 45 LEU H H 45 8.374 8.374 8.655 -0.281 25693 2664 1 8 . 1 1 46 46 LYS N N 46 124.968 124.968 122.084 2.884 25693 2665 1 8 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.015 0.318 25693 2666 1 8 . 1 1 46 46 LYS C C 46 171.169 171.169 174.225 -3.056 25693 2667 1 8 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.140 0.715 25693 2668 1 8 . 1 1 46 46 LYS CB C 46 36.746 36.746 36.027 0.719 25693 2669 1 8 . 1 1 46 46 LYS H H 46 9.115 9.115 8.907 0.208 25693 2670 1 8 . 1 1 47 47 VAL N N 47 126.006 126.006 127.035 -1.029 25693 2671 1 8 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.318 -0.065 25693 2672 1 8 . 1 1 47 47 VAL C C 47 173.892 173.892 173.418 0.474 25693 2673 1 8 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.696 1.244 25693 2674 1 8 . 1 1 47 47 VAL CB C 47 34.851 34.851 34.782 0.069 25693 2675 1 8 . 1 1 47 47 VAL H H 47 9.221 9.221 8.997 0.224 25693 2676 1 8 . 1 1 48 48 CYS N N 48 123.279 123.279 129.201 -5.922 25693 2677 1 8 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.267 0.773 25693 2678 1 8 . 1 1 48 48 CYS C C 48 172.554 172.554 172.927 -0.373 25693 2679 1 8 . 1 1 48 48 CYS CA C 48 55.181 55.181 57.478 -2.297 25693 2680 1 8 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.687 19.975 25693 2681 1 8 . 1 1 48 48 CYS H H 48 9.201 9.201 9.362 -0.161 25693 2682 1 8 . 1 1 49 49 CYS N N 49 119.872 119.872 128.481 -8.609 25693 2683 1 8 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.390 0.289 25693 2684 1 8 . 1 1 49 49 CYS CA C 49 56.214 56.214 57.628 -1.414 25693 2685 1 8 . 1 1 49 49 CYS CB C 49 48.015 48.015 31.481 16.534 25693 2686 1 8 . 1 1 49 49 CYS H H 49 9.117 9.117 9.420 -0.303 25693 2687 1 8 . 1 1 50 50 ASP N N 50 123.093 123.093 125.250 -2.157 25693 2688 1 8 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.428 -0.266 25693 2689 1 8 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.441 1.428 25693 2690 1 8 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.187 -1.349 25693 2691 1 8 . 1 1 50 50 ASP H H 50 8.837 8.837 9.363 -0.526 25693 2692 1 8 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.736 -0.011 25693 2693 1 8 . 1 1 51 51 PRO C C 51 178.489 178.489 177.173 1.316 25693 2694 1 8 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.243 0.332 25693 2695 1 8 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.839 0.711 25693 2696 1 8 . 1 1 52 52 GLN N N 52 120.594 120.594 114.859 5.735 25693 2697 1 8 . 1 1 52 52 GLN HA H 52 4.368 4.368 3.911 0.457 25693 2698 1 8 . 1 1 52 52 GLN C C 52 175.779 175.779 175.729 0.050 25693 2699 1 8 . 1 1 52 52 GLN CA C 52 56.155 56.155 58.348 -2.193 25693 2700 1 8 . 1 1 52 52 GLN CB C 52 30.069 30.069 27.123 2.946 25693 2701 1 8 . 1 1 52 52 GLN H H 52 8.504 8.504 8.929 -0.425 25693 2702 1 8 . 1 1 53 53 ALA N N 53 124.936 124.936 121.271 3.665 25693 2703 1 8 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.050 0.292 25693 2704 1 8 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.065 0.149 25693 2705 1 8 . 1 1 53 53 ALA CB C 53 19.978 19.978 18.394 1.584 25693 2706 1 8 . 1 1 53 53 ALA H H 53 8.290 8.290 7.827 0.463 25693 2707 1 8 . 1 1 54 54 THR N N 54 112.200 112.200 110.146 2.054 25693 2708 1 8 . 1 1 54 54 THR HA H 54 4.318 4.318 3.992 0.326 25693 2709 1 8 . 1 1 54 54 THR CA C 54 62.594 62.594 62.854 -0.260 25693 2710 1 8 . 1 1 54 54 THR CB C 54 70.341 70.341 68.227 2.114 25693 2711 1 8 . 1 1 54 54 THR H H 54 8.011 8.011 7.862 0.149 25693 2712 1 8 . 1 1 55 55 TRP N N 55 122.937 122.937 120.814 2.123 25693 2713 1 8 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.877 -0.074 25693 2714 1 8 . 1 1 55 55 TRP C C 55 176.602 176.602 175.334 1.268 25693 2715 1 8 . 1 1 55 55 TRP CA C 55 57.651 57.651 58.165 -0.514 25693 2716 1 8 . 1 1 55 55 TRP CB C 55 30.105 30.105 29.008 1.097 25693 2717 1 8 . 1 1 55 55 TRP H H 55 7.979 7.979 8.252 -0.273 25693 2718 1 8 . 1 1 56 56 VAL N N 56 121.829 121.829 115.971 5.858 25693 2719 1 8 . 1 1 56 56 VAL HA H 56 4.031 4.031 3.248 0.783 25693 2720 1 8 . 1 1 56 56 VAL C C 56 175.779 175.779 176.991 -1.212 25693 2721 1 8 . 1 1 56 56 VAL CA C 56 63.060 63.060 63.593 -0.533 25693 2722 1 8 . 1 1 56 56 VAL CB C 56 33.012 33.012 31.320 1.692 25693 2723 1 8 . 1 1 56 56 VAL H H 56 7.817 7.817 7.282 0.535 25693 2724 1 8 . 1 1 57 57 ARG N N 57 123.817 123.817 118.952 4.865 25693 2725 1 8 . 1 1 57 57 ARG HA H 57 4.305 4.305 3.836 0.469 25693 2726 1 8 . 1 1 57 57 ARG C C 57 176.484 176.484 175.016 1.468 25693 2727 1 8 . 1 1 57 57 ARG CA C 57 56.741 56.741 57.693 -0.952 25693 2728 1 8 . 1 1 57 57 ARG CB C 57 31.502 31.502 28.685 2.817 25693 2729 1 8 . 1 1 57 57 ARG H H 57 8.087 8.087 8.207 -0.120 25693 2730 1 8 . 1 1 58 58 ASP N N 58 121.452 121.452 119.325 2.127 25693 2731 1 8 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.865 -0.148 25693 2732 1 8 . 1 1 58 58 ASP C C 58 177.508 177.508 175.677 1.831 25693 2733 1 8 . 1 1 58 58 ASP CA C 58 54.966 54.966 53.551 1.415 25693 2734 1 8 . 1 1 58 58 ASP CB C 58 42.021 42.021 42.523 -0.502 25693 2735 1 8 . 1 1 58 58 ASP H H 58 8.240 8.240 8.175 0.065 25693 2736 1 8 . 1 1 59 59 VAL N N 59 120.104 120.104 124.210 -4.106 25693 2737 1 8 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.262 -0.095 25693 2738 1 8 . 1 1 59 59 VAL C C 59 177.636 177.636 176.155 1.481 25693 2739 1 8 . 1 1 59 59 VAL CA C 59 63.146 63.146 60.876 2.270 25693 2740 1 8 . 1 1 59 59 VAL CB C 59 33.377 33.377 31.814 1.563 25693 2741 1 8 . 1 1 59 59 VAL H H 59 8.059 8.059 8.501 -0.442 25693 2742 1 8 . 1 1 60 60 VAL N N 60 123.394 123.394 119.547 3.847 25693 2743 1 8 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.677 0.466 25693 2744 1 8 . 1 1 60 60 VAL C C 60 177.956 177.956 175.867 2.089 25693 2745 1 8 . 1 1 60 60 VAL CA C 60 63.452 63.452 64.474 -1.022 25693 2746 1 8 . 1 1 60 60 VAL CB C 60 33.012 33.012 31.025 1.987 25693 2747 1 8 . 1 1 60 60 VAL H H 60 8.115 8.115 8.488 -0.373 25693 2748 1 8 . 1 1 61 61 ARG N N 61 124.402 124.402 119.113 5.289 25693 2749 1 8 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.415 0.218 25693 2750 1 8 . 1 1 61 61 ARG C C 61 177.786 177.786 174.617 3.169 25693 2751 1 8 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.469 1.244 25693 2752 1 8 . 1 1 61 61 ARG CB C 61 31.306 31.306 32.390 -1.084 25693 2753 1 8 . 1 1 61 61 ARG H H 61 8.350 8.350 7.842 0.508 25693 2754 1 8 . 1 1 62 62 SER N N 62 121.629 121.629 118.879 2.750 25693 2755 1 8 . 1 1 62 62 SER HA H 62 4.579 4.579 4.608 -0.029 25693 2756 1 8 . 1 1 62 62 SER C C 62 177.687 177.687 174.735 2.952 25693 2757 1 8 . 1 1 62 62 SER CA C 62 56.270 56.270 58.936 -2.666 25693 2758 1 8 . 1 1 62 62 SER CB C 62 70.537 70.537 62.742 7.795 25693 2759 1 8 . 1 1 62 62 SER H H 62 8.253 8.253 8.465 -0.212 25693 2760 1 8 . 1 1 63 63 MET N N 63 121.452 121.452 124.811 -3.359 25693 2761 1 8 . 1 1 63 63 MET HA H 63 4.706 4.706 4.845 -0.139 25693 2762 1 8 . 1 1 63 63 MET C C 63 177.252 177.252 175.721 1.531 25693 2763 1 8 . 1 1 63 63 MET CA C 63 54.861 54.861 53.470 1.391 25693 2764 1 8 . 1 1 63 63 MET CB C 63 31.514 31.514 33.470 -1.956 25693 2765 1 8 . 1 1 63 63 MET H H 63 8.245 8.245 7.893 0.352 25693 2766 1 8 . 1 1 64 64 ASP N N 64 120.811 120.811 121.761 -0.950 25693 2767 1 8 . 1 1 64 64 ASP C C 64 177.786 177.786 175.450 2.336 25693 2768 1 8 . 1 1 64 64 ASP CA C 64 56.468 56.468 55.042 1.425 25693 2769 1 8 . 1 1 64 64 ASP CB C 64 33.377 33.377 41.086 -7.709 25693 2770 1 8 . 1 1 64 64 ASP H H 64 8.251 8.251 8.305 -0.054 25693 2771 1 8 . 1 1 65 65 ARG N N 65 120.563 120.563 123.842 -3.279 25693 2772 1 8 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.533 -0.064 25693 2773 1 8 . 1 1 65 65 ARG C C 65 179.397 179.397 174.406 4.991 25693 2774 1 8 . 1 1 65 65 ARG CA C 65 57.080 57.080 56.026 1.054 25693 2775 1 8 . 1 1 65 65 ARG CB C 65 33.510 33.510 31.673 1.837 25693 2776 1 8 . 1 1 65 65 ARG H H 65 8.145 8.145 8.518 -0.373 25693 2777 1 9 . 1 1 2 2 GLY C C 2 176.333 176.333 173.031 3.302 25693 2778 1 9 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.929 7.952 25693 2779 1 9 . 1 1 3 3 SER N N 3 119.606 119.606 117.192 2.414 25693 2780 1 9 . 1 1 3 3 SER C C 3 171.619 171.619 174.433 -2.814 25693 2781 1 9 . 1 1 3 3 SER CA C 3 62.684 62.684 57.717 4.968 25693 2782 1 9 . 1 1 3 3 SER CB C 3 62.684 62.684 63.863 -1.179 25693 2783 1 9 . 1 1 3 3 SER H H 3 8.031 8.031 8.218 -0.187 25693 2784 1 9 . 1 1 4 4 GLU N N 4 122.937 122.937 126.223 -3.286 25693 2785 1 9 . 1 1 4 4 GLU C C 4 178.452 178.452 176.414 2.038 25693 2786 1 9 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.016 1.371 25693 2787 1 9 . 1 1 4 4 GLU CB C 4 30.575 30.575 30.673 -0.098 25693 2788 1 9 . 1 1 4 4 GLU H H 4 7.979 7.979 8.685 -0.706 25693 2789 1 9 . 1 1 5 5 VAL N N 5 120.522 120.522 122.368 -1.846 25693 2790 1 9 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.276 -0.007 25693 2791 1 9 . 1 1 5 5 VAL CA C 5 62.840 62.840 62.409 0.431 25693 2792 1 9 . 1 1 5 5 VAL CB C 5 33.194 33.194 31.159 2.035 25693 2793 1 9 . 1 1 5 5 VAL H H 5 8.185 8.185 8.417 -0.232 25693 2794 1 9 . 1 1 6 6 SER N N 6 119.109 119.109 123.040 -3.931 25693 2795 1 9 . 1 1 6 6 SER HA H 6 4.560 4.560 4.681 -0.121 25693 2796 1 9 . 1 1 6 6 SER CA C 6 58.826 58.826 57.360 1.466 25693 2797 1 9 . 1 1 6 6 SER CB C 6 64.865 64.865 65.530 -0.665 25693 2798 1 9 . 1 1 6 6 SER H H 6 8.340 8.340 8.278 0.062 25693 2799 1 9 . 1 1 7 7 ASP N N 7 122.786 122.786 123.441 -0.655 25693 2800 1 9 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.823 -0.117 25693 2801 1 9 . 1 1 7 7 ASP C C 7 177.572 177.572 176.205 1.367 25693 2802 1 9 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.248 0.688 25693 2803 1 9 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.867 0.117 25693 2804 1 9 . 1 1 7 7 ASP H H 7 8.347 8.347 8.643 -0.296 25693 2805 1 9 . 1 1 8 8 LYS N N 8 119.939 119.939 126.017 -6.078 25693 2806 1 9 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.315 0.092 25693 2807 1 9 . 1 1 8 8 LYS C C 8 178.323 178.323 175.577 2.746 25693 2808 1 9 . 1 1 8 8 LYS CA C 8 56.844 56.844 57.151 -0.307 25693 2809 1 9 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.036 -1.960 25693 2810 1 9 . 1 1 8 8 LYS H H 8 8.060 8.060 8.520 -0.460 25693 2811 1 9 . 1 1 9 9 ARG N N 9 121.813 121.813 119.259 2.554 25693 2812 1 9 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.622 -0.153 25693 2813 1 9 . 1 1 9 9 ARG C C 9 178.148 178.148 175.256 2.892 25693 2814 1 9 . 1 1 9 9 ARG CA C 9 56.779 56.779 54.807 1.972 25693 2815 1 9 . 1 1 9 9 ARG CB C 9 31.062 31.062 30.387 0.674 25693 2816 1 9 . 1 1 9 9 ARG H H 9 8.352 8.352 8.166 0.186 25693 2817 1 9 . 1 1 10 10 THR N N 10 116.680 116.680 120.045 -3.365 25693 2818 1 9 . 1 1 10 10 THR HA H 10 4.487 4.487 4.535 -0.048 25693 2819 1 9 . 1 1 10 10 THR CA C 10 59.286 59.286 62.474 -3.188 25693 2820 1 9 . 1 1 10 10 THR CB C 10 64.412 64.412 70.058 -5.646 25693 2821 1 9 . 1 1 10 10 THR H H 10 8.263 8.263 8.531 -0.268 25693 2822 1 9 . 1 1 11 11 CYS N N 11 124.443 124.443 124.848 -0.405 25693 2823 1 9 . 1 1 11 11 CYS HA H 11 6.292 6.292 5.139 1.153 25693 2824 1 9 . 1 1 11 11 CYS C C 11 169.873 169.873 173.949 -4.076 25693 2825 1 9 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.676 -2.066 25693 2826 1 9 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.013 14.228 25693 2827 1 9 . 1 1 11 11 CYS H H 11 8.166 8.166 8.795 -0.629 25693 2828 1 9 . 1 1 12 12 VAL N N 12 118.379 118.379 120.084 -1.705 25693 2829 1 9 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.647 0.066 25693 2830 1 9 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.335 0.635 25693 2831 1 9 . 1 1 12 12 VAL CB C 12 35.720 35.720 35.540 0.180 25693 2832 1 9 . 1 1 12 12 VAL H H 12 9.190 9.190 9.216 -0.026 25693 2833 1 9 . 1 1 13 13 SER N N 13 118.231 118.231 119.242 -1.011 25693 2834 1 9 . 1 1 13 13 SER HA H 13 5.457 5.457 5.134 0.323 25693 2835 1 9 . 1 1 13 13 SER CA C 13 57.815 57.815 56.731 1.084 25693 2836 1 9 . 1 1 13 13 SER CB C 13 66.744 66.744 64.462 2.282 25693 2837 1 9 . 1 1 13 13 SER H H 13 8.477 8.477 8.361 0.116 25693 2838 1 9 . 1 1 14 14 LEU N N 14 125.590 125.590 127.789 -2.199 25693 2839 1 9 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.774 0.042 25693 2840 1 9 . 1 1 14 14 LEU C C 14 176.497 176.497 175.687 0.810 25693 2841 1 9 . 1 1 14 14 LEU CA C 14 55.068 55.068 53.997 1.071 25693 2842 1 9 . 1 1 14 14 LEU CB C 14 45.750 45.750 45.822 -0.072 25693 2843 1 9 . 1 1 14 14 LEU H H 14 9.031 9.031 9.287 -0.256 25693 2844 1 9 . 1 1 15 15 THR N N 15 121.083 121.083 115.326 5.757 25693 2845 1 9 . 1 1 15 15 THR HA H 15 4.870 4.870 4.954 -0.084 25693 2846 1 9 . 1 1 15 15 THR C C 15 171.445 171.445 174.231 -2.786 25693 2847 1 9 . 1 1 15 15 THR CA C 15 62.607 62.607 60.944 1.663 25693 2848 1 9 . 1 1 15 15 THR CB C 15 70.127 70.127 69.173 0.954 25693 2849 1 9 . 1 1 15 15 THR H H 15 8.684 8.684 8.436 0.248 25693 2850 1 9 . 1 1 16 16 THR N N 16 117.142 117.142 120.401 -3.259 25693 2851 1 9 . 1 1 16 16 THR HA H 16 4.724 4.724 4.480 0.244 25693 2852 1 9 . 1 1 16 16 THR CA C 16 61.091 61.091 61.359 -0.268 25693 2853 1 9 . 1 1 16 16 THR CB C 16 71.260 71.260 69.940 1.320 25693 2854 1 9 . 1 1 16 16 THR H H 16 8.114 8.114 8.037 0.077 25693 2855 1 9 . 1 1 17 17 GLN N N 17 119.423 119.423 123.481 -4.058 25693 2856 1 9 . 1 1 17 17 GLN HA H 17 4.497 4.497 3.992 0.505 25693 2857 1 9 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.512 -0.951 25693 2858 1 9 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.236 1.608 25693 2859 1 9 . 1 1 17 17 GLN H H 17 8.260 8.260 8.773 -0.513 25693 2860 1 9 . 1 1 18 18 ARG N N 18 119.630 119.630 116.897 2.733 25693 2861 1 9 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.450 0.057 25693 2862 1 9 . 1 1 18 18 ARG C C 18 177.434 177.434 174.909 2.525 25693 2863 1 9 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.754 1.357 25693 2864 1 9 . 1 1 18 18 ARG CB C 18 30.895 30.895 31.102 -0.207 25693 2865 1 9 . 1 1 18 18 ARG H H 18 8.190 8.190 8.474 -0.284 25693 2866 1 9 . 1 1 19 19 LEU N N 19 125.797 125.797 124.652 1.145 25693 2867 1 9 . 1 1 19 19 LEU CA C 19 52.241 52.241 52.460 -0.219 25693 2868 1 9 . 1 1 19 19 LEU CB C 19 43.403 43.403 42.829 0.574 25693 2869 1 9 . 1 1 19 19 LEU H H 19 8.674 8.674 7.863 0.811 25693 2870 1 9 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.486 0.302 25693 2871 1 9 . 1 1 20 20 PRO C C 20 177.352 177.352 176.331 1.021 25693 2872 1 9 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.729 0.417 25693 2873 1 9 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.030 -2.538 25693 2874 1 9 . 1 1 21 21 VAL N N 21 119.308 119.308 118.079 1.229 25693 2875 1 9 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.472 -0.334 25693 2876 1 9 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.136 1.173 25693 2877 1 9 . 1 1 21 21 VAL CB C 21 34.628 34.628 33.621 1.007 25693 2878 1 9 . 1 1 21 21 VAL H H 21 7.850 7.850 7.908 -0.058 25693 2879 1 9 . 1 1 22 22 SER N N 22 121.709 121.709 119.075 2.634 25693 2880 1 9 . 1 1 22 22 SER HA H 22 4.589 4.589 4.574 0.015 25693 2881 1 9 . 1 1 22 22 SER C C 22 170.922 170.922 173.232 -2.310 25693 2882 1 9 . 1 1 22 22 SER CA C 22 59.316 59.316 58.073 1.243 25693 2883 1 9 . 1 1 22 22 SER CB C 22 64.576 64.576 62.336 2.240 25693 2884 1 9 . 1 1 22 22 SER H H 22 8.671 8.671 8.633 0.038 25693 2885 1 9 . 1 1 23 23 ARG N N 23 120.473 120.473 123.825 -3.352 25693 2886 1 9 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.062 0.517 25693 2887 1 9 . 1 1 23 23 ARG C C 23 171.215 171.215 173.765 -2.550 25693 2888 1 9 . 1 1 23 23 ARG CA C 23 55.396 55.396 56.665 -1.269 25693 2889 1 9 . 1 1 23 23 ARG CB C 23 32.391 32.391 30.682 1.709 25693 2890 1 9 . 1 1 23 23 ARG H H 23 7.828 7.828 7.852 -0.024 25693 2891 1 9 . 1 1 24 24 ILE N N 24 120.563 120.563 122.558 -1.995 25693 2892 1 9 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.776 -0.341 25693 2893 1 9 . 1 1 24 24 ILE C C 24 176.100 176.100 176.342 -0.242 25693 2894 1 9 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.911 2.592 25693 2895 1 9 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.718 2.791 25693 2896 1 9 . 1 1 24 24 ILE H H 24 8.085 8.085 8.297 -0.212 25693 2897 1 9 . 1 1 25 25 LYS N N 25 127.474 127.474 127.581 -0.107 25693 2898 1 9 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.724 0.047 25693 2899 1 9 . 1 1 25 25 LYS C C 25 173.336 173.336 174.825 -1.489 25693 2900 1 9 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.557 0.563 25693 2901 1 9 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.632 0.193 25693 2902 1 9 . 1 1 25 25 LYS H H 25 8.526 8.526 8.012 0.514 25693 2903 1 9 . 1 1 26 26 THR N N 26 114.644 114.644 112.589 2.055 25693 2904 1 9 . 1 1 26 26 THR HA H 26 5.512 5.512 5.454 0.058 25693 2905 1 9 . 1 1 26 26 THR C C 26 169.422 169.422 173.844 -4.422 25693 2906 1 9 . 1 1 26 26 THR CA C 26 60.264 60.264 59.302 0.962 25693 2907 1 9 . 1 1 26 26 THR CB C 26 72.098 72.098 70.078 2.020 25693 2908 1 9 . 1 1 26 26 THR H H 26 7.998 7.998 7.971 0.027 25693 2909 1 9 . 1 1 27 27 TYR N N 27 122.745 122.745 125.424 -2.679 25693 2910 1 9 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.702 0.175 25693 2911 1 9 . 1 1 27 27 TYR CA C 27 57.331 57.331 56.826 0.505 25693 2912 1 9 . 1 1 27 27 TYR CB C 27 42.601 42.601 42.182 0.419 25693 2913 1 9 . 1 1 27 27 TYR H H 27 8.848 8.848 8.554 0.294 25693 2914 1 9 . 1 1 28 28 THR N N 28 117.167 117.167 119.202 -2.035 25693 2915 1 9 . 1 1 28 28 THR HA H 28 5.005 5.005 5.323 -0.318 25693 2916 1 9 . 1 1 28 28 THR C C 28 169.027 169.027 173.941 -4.914 25693 2917 1 9 . 1 1 28 28 THR CA C 28 61.921 61.921 61.619 0.302 25693 2918 1 9 . 1 1 28 28 THR CB C 28 70.988 70.988 69.918 1.070 25693 2919 1 9 . 1 1 28 28 THR H H 28 8.532 8.532 8.485 0.047 25693 2920 1 9 . 1 1 29 29 ILE N N 29 124.474 124.474 128.827 -4.353 25693 2921 1 9 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.408 -0.056 25693 2922 1 9 . 1 1 29 29 ILE C C 29 171.747 171.747 174.740 -2.993 25693 2923 1 9 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.517 -0.312 25693 2924 1 9 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.223 1.802 25693 2925 1 9 . 1 1 29 29 ILE H H 29 8.782 8.782 9.273 -0.491 25693 2926 1 9 . 1 1 30 30 THR N N 30 120.157 120.157 119.964 0.193 25693 2927 1 9 . 1 1 30 30 THR HA H 30 5.143 5.143 5.400 -0.257 25693 2928 1 9 . 1 1 30 30 THR C C 30 170.054 170.054 174.475 -4.421 25693 2929 1 9 . 1 1 30 30 THR CA C 30 60.664 60.664 59.925 0.739 25693 2930 1 9 . 1 1 30 30 THR CB C 30 71.397 71.397 69.572 1.825 25693 2931 1 9 . 1 1 30 30 THR H H 30 8.475 8.475 8.669 -0.194 25693 2932 1 9 . 1 1 31 31 GLU N N 31 126.425 126.425 126.603 -0.178 25693 2933 1 9 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.469 0.182 25693 2934 1 9 . 1 1 31 31 GLU C C 31 176.004 176.004 176.641 -0.637 25693 2935 1 9 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.094 0.118 25693 2936 1 9 . 1 1 31 31 GLU CB C 31 31.637 31.637 29.647 1.990 25693 2937 1 9 . 1 1 31 31 GLU H H 31 8.589 8.589 8.377 0.212 25693 2938 1 9 . 1 1 32 32 GLY N N 32 116.534 116.534 114.734 1.800 25693 2939 1 9 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.363 2.329 25693 2940 1 9 . 1 1 32 32 GLY H H 32 8.996 8.996 8.517 0.479 25693 2941 1 9 . 1 1 33 33 SER HA H 33 4.452 4.452 4.071 0.381 25693 2942 1 9 . 1 1 33 33 SER C C 33 173.267 173.267 173.203 0.064 25693 2943 1 9 . 1 1 33 33 SER CA C 33 59.715 59.715 59.203 0.512 25693 2944 1 9 . 1 1 33 33 SER CB C 33 59.715 59.715 63.060 -3.345 25693 2945 1 9 . 1 1 34 34 LEU N N 34 116.305 116.305 120.753 -4.448 25693 2946 1 9 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.753 -0.092 25693 2947 1 9 . 1 1 34 34 LEU C C 34 173.314 173.314 175.108 -1.794 25693 2948 1 9 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.281 1.024 25693 2949 1 9 . 1 1 34 34 LEU CB C 34 44.132 44.132 43.444 0.688 25693 2950 1 9 . 1 1 34 34 LEU H H 34 8.425 8.425 7.491 0.934 25693 2951 1 9 . 1 1 35 35 ARG N N 35 127.474 127.474 126.568 0.906 25693 2952 1 9 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.207 -0.016 25693 2953 1 9 . 1 1 35 35 ARG C C 35 175.720 175.720 175.214 0.506 25693 2954 1 9 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.613 0.691 25693 2955 1 9 . 1 1 35 35 ARG CB C 35 32.808 32.808 31.934 0.874 25693 2956 1 9 . 1 1 35 35 ARG H H 35 8.560 8.560 9.248 -0.688 25693 2957 1 9 . 1 1 36 36 CYS N N 36 122.335 122.335 124.712 -2.377 25693 2958 1 9 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.280 0.569 25693 2959 1 9 . 1 1 36 36 CYS CA C 36 55.839 55.839 58.469 -2.630 25693 2960 1 9 . 1 1 36 36 CYS CB C 36 50.065 50.065 29.578 20.487 25693 2961 1 9 . 1 1 36 36 CYS H H 36 9.179 9.179 9.376 -0.197 25693 2962 1 9 . 1 1 37 37 VAL N N 37 122.327 122.327 124.879 -2.552 25693 2963 1 9 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.191 -0.438 25693 2964 1 9 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.752 0.354 25693 2965 1 9 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.728 0.431 25693 2966 1 9 . 1 1 37 37 VAL H H 37 9.308 9.308 9.404 -0.096 25693 2967 1 9 . 1 1 38 38 ILE N N 38 126.295 126.295 125.849 0.446 25693 2968 1 9 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.779 0.069 25693 2969 1 9 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.355 0.125 25693 2970 1 9 . 1 1 38 38 ILE CB C 38 40.891 40.891 39.931 0.960 25693 2971 1 9 . 1 1 38 38 ILE H H 38 9.014 9.014 9.004 0.010 25693 2972 1 9 . 1 1 39 39 PHE N N 39 124.882 124.882 127.472 -2.590 25693 2973 1 9 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.207 0.100 25693 2974 1 9 . 1 1 39 39 PHE C C 39 174.855 174.855 175.415 -0.560 25693 2975 1 9 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.549 -0.051 25693 2976 1 9 . 1 1 39 39 PHE CB C 39 41.507 41.507 39.946 1.561 25693 2977 1 9 . 1 1 39 39 PHE H H 39 9.700 9.700 9.665 0.035 25693 2978 1 9 . 1 1 40 40 ILE N N 40 124.722 124.722 126.983 -2.261 25693 2979 1 9 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.382 0.340 25693 2980 1 9 . 1 1 40 40 ILE C C 40 173.603 173.603 175.241 -1.638 25693 2981 1 9 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.361 0.375 25693 2982 1 9 . 1 1 40 40 ILE CB C 40 38.911 38.911 37.992 0.919 25693 2983 1 9 . 1 1 40 40 ILE H H 40 9.313 9.313 9.165 0.148 25693 2984 1 9 . 1 1 41 41 THR N N 41 116.571 116.571 118.566 -1.995 25693 2985 1 9 . 1 1 41 41 THR HA H 41 4.988 4.988 4.870 0.118 25693 2986 1 9 . 1 1 41 41 THR C C 41 171.363 171.363 174.988 -3.625 25693 2987 1 9 . 1 1 41 41 THR CA C 41 59.776 59.776 59.679 0.097 25693 2988 1 9 . 1 1 41 41 THR CB C 41 72.930 72.930 71.948 0.982 25693 2989 1 9 . 1 1 41 41 THR H H 41 8.593 8.593 9.082 -0.489 25693 2990 1 9 . 1 1 42 42 LYS N N 42 116.228 116.228 120.640 -4.412 25693 2991 1 9 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.266 0.141 25693 2992 1 9 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.490 2.010 25693 2993 1 9 . 1 1 42 42 LYS CB C 42 33.333 33.333 30.803 2.530 25693 2994 1 9 . 1 1 42 42 LYS H H 42 8.597 8.597 8.851 -0.254 25693 2995 1 9 . 1 1 43 43 ARG N N 43 113.916 113.916 116.370 -2.454 25693 2996 1 9 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.558 0.093 25693 2997 1 9 . 1 1 43 43 ARG C C 43 176.160 176.160 175.213 0.947 25693 2998 1 9 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.487 -0.275 25693 2999 1 9 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.642 -1.092 25693 3000 1 9 . 1 1 43 43 ARG H H 43 7.753 7.753 7.452 0.301 25693 3001 1 9 . 1 1 44 44 GLY N N 44 107.712 107.712 106.894 0.818 25693 3002 1 9 . 1 1 44 44 GLY C C 44 163.798 163.798 172.102 -8.304 25693 3003 1 9 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.334 0.788 25693 3004 1 9 . 1 1 44 44 GLY H H 44 7.498 7.498 7.703 -0.205 25693 3005 1 9 . 1 1 45 45 LEU N N 45 120.948 120.948 120.709 0.239 25693 3006 1 9 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.245 0.286 25693 3007 1 9 . 1 1 45 45 LEU C C 45 175.801 175.801 174.861 0.940 25693 3008 1 9 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.266 -0.065 25693 3009 1 9 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.918 0.528 25693 3010 1 9 . 1 1 45 45 LEU H H 45 8.374 8.374 8.487 -0.113 25693 3011 1 9 . 1 1 46 46 LYS N N 46 124.968 124.968 123.399 1.569 25693 3012 1 9 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.113 0.220 25693 3013 1 9 . 1 1 46 46 LYS C C 46 171.169 171.169 174.766 -3.597 25693 3014 1 9 . 1 1 46 46 LYS CA C 46 55.855 55.855 54.906 0.949 25693 3015 1 9 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.217 1.529 25693 3016 1 9 . 1 1 46 46 LYS H H 46 9.115 9.115 9.330 -0.215 25693 3017 1 9 . 1 1 47 47 VAL N N 47 126.006 126.006 122.188 3.818 25693 3018 1 9 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.340 -0.087 25693 3019 1 9 . 1 1 47 47 VAL C C 47 173.892 173.892 173.816 0.076 25693 3020 1 9 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.849 1.091 25693 3021 1 9 . 1 1 47 47 VAL CB C 47 34.851 34.851 34.094 0.757 25693 3022 1 9 . 1 1 47 47 VAL H H 47 9.221 9.221 9.020 0.201 25693 3023 1 9 . 1 1 48 48 CYS N N 48 123.279 123.279 126.138 -2.859 25693 3024 1 9 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.067 0.973 25693 3025 1 9 . 1 1 48 48 CYS C C 48 172.554 172.554 173.056 -0.502 25693 3026 1 9 . 1 1 48 48 CYS CA C 48 55.181 55.181 57.761 -2.579 25693 3027 1 9 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.468 20.194 25693 3028 1 9 . 1 1 48 48 CYS H H 48 9.201 9.201 9.253 -0.052 25693 3029 1 9 . 1 1 49 49 CYS N N 49 119.872 119.872 128.847 -8.975 25693 3030 1 9 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.315 0.364 25693 3031 1 9 . 1 1 49 49 CYS CA C 49 56.214 56.214 57.802 -1.588 25693 3032 1 9 . 1 1 49 49 CYS CB C 49 48.015 48.015 31.143 16.872 25693 3033 1 9 . 1 1 49 49 CYS H H 49 9.117 9.117 8.518 0.599 25693 3034 1 9 . 1 1 50 50 ASP N N 50 123.093 123.093 125.370 -2.277 25693 3035 1 9 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.232 -0.070 25693 3036 1 9 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.296 1.573 25693 3037 1 9 . 1 1 50 50 ASP CB C 50 42.838 42.838 43.258 -0.420 25693 3038 1 9 . 1 1 50 50 ASP H H 50 8.837 8.837 9.148 -0.311 25693 3039 1 9 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.636 0.089 25693 3040 1 9 . 1 1 51 51 PRO C C 51 178.489 178.489 177.441 1.048 25693 3041 1 9 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.806 -0.231 25693 3042 1 9 . 1 1 51 51 PRO CB C 51 32.550 32.550 32.078 0.471 25693 3043 1 9 . 1 1 52 52 GLN N N 52 120.594 120.594 113.773 6.821 25693 3044 1 9 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.020 0.348 25693 3045 1 9 . 1 1 52 52 GLN C C 52 175.779 175.779 176.322 -0.543 25693 3046 1 9 . 1 1 52 52 GLN CA C 52 56.155 56.155 58.517 -2.362 25693 3047 1 9 . 1 1 52 52 GLN CB C 52 30.069 30.069 27.355 2.714 25693 3048 1 9 . 1 1 52 52 GLN H H 52 8.504 8.504 7.968 0.536 25693 3049 1 9 . 1 1 53 53 ALA N N 53 124.936 124.936 121.646 3.290 25693 3050 1 9 . 1 1 53 53 ALA HA H 53 4.342 4.342 3.925 0.417 25693 3051 1 9 . 1 1 53 53 ALA CA C 53 53.214 53.214 54.691 -1.477 25693 3052 1 9 . 1 1 53 53 ALA CB C 53 19.978 19.978 17.414 2.564 25693 3053 1 9 . 1 1 53 53 ALA H H 53 8.290 8.290 8.506 -0.216 25693 3054 1 9 . 1 1 54 54 THR N N 54 112.200 112.200 112.316 -0.116 25693 3055 1 9 . 1 1 54 54 THR HA H 54 4.318 4.318 4.405 -0.087 25693 3056 1 9 . 1 1 54 54 THR CA C 54 62.594 62.594 62.013 0.581 25693 3057 1 9 . 1 1 54 54 THR CB C 54 70.341 70.341 69.852 0.489 25693 3058 1 9 . 1 1 54 54 THR H H 54 8.011 8.011 7.857 0.154 25693 3059 1 9 . 1 1 55 55 TRP N N 55 122.937 122.937 125.574 -2.637 25693 3060 1 9 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.519 0.284 25693 3061 1 9 . 1 1 55 55 TRP C C 55 176.602 176.602 176.705 -0.103 25693 3062 1 9 . 1 1 55 55 TRP CA C 55 57.651 57.651 57.392 0.260 25693 3063 1 9 . 1 1 55 55 TRP CB C 55 30.105 30.105 28.483 1.622 25693 3064 1 9 . 1 1 55 55 TRP H H 55 7.979 7.979 7.983 -0.004 25693 3065 1 9 . 1 1 56 56 VAL N N 56 121.829 121.829 120.642 1.187 25693 3066 1 9 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.273 -0.242 25693 3067 1 9 . 1 1 56 56 VAL C C 56 175.779 175.779 175.890 -0.111 25693 3068 1 9 . 1 1 56 56 VAL CA C 56 63.060 63.060 62.577 0.483 25693 3069 1 9 . 1 1 56 56 VAL CB C 56 33.012 33.012 32.541 0.471 25693 3070 1 9 . 1 1 56 56 VAL H H 56 7.817 7.817 8.046 -0.229 25693 3071 1 9 . 1 1 57 57 ARG N N 57 123.817 123.817 126.244 -2.427 25693 3072 1 9 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.529 -0.224 25693 3073 1 9 . 1 1 57 57 ARG C C 57 176.484 176.484 175.495 0.989 25693 3074 1 9 . 1 1 57 57 ARG CA C 57 56.741 56.741 55.538 1.203 25693 3075 1 9 . 1 1 57 57 ARG CB C 57 31.502 31.502 31.896 -0.394 25693 3076 1 9 . 1 1 57 57 ARG H H 57 8.087 8.087 8.202 -0.115 25693 3077 1 9 . 1 1 58 58 ASP N N 58 121.452 121.452 121.636 -0.184 25693 3078 1 9 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.514 0.203 25693 3079 1 9 . 1 1 58 58 ASP C C 58 177.508 177.508 177.952 -0.444 25693 3080 1 9 . 1 1 58 58 ASP CA C 58 54.966 54.966 56.271 -1.305 25693 3081 1 9 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.410 0.611 25693 3082 1 9 . 1 1 58 58 ASP H H 58 8.240 8.240 8.564 -0.324 25693 3083 1 9 . 1 1 59 59 VAL N N 59 120.104 120.104 114.012 6.092 25693 3084 1 9 . 1 1 59 59 VAL HA H 59 4.167 4.167 3.666 0.501 25693 3085 1 9 . 1 1 59 59 VAL C C 59 177.636 177.636 175.351 2.285 25693 3086 1 9 . 1 1 59 59 VAL CA C 59 63.146 63.146 64.107 -0.961 25693 3087 1 9 . 1 1 59 59 VAL CB C 59 33.377 33.377 30.968 2.409 25693 3088 1 9 . 1 1 59 59 VAL H H 59 8.059 8.059 8.177 -0.118 25693 3089 1 9 . 1 1 60 60 VAL N N 60 123.394 123.394 120.486 2.908 25693 3090 1 9 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.996 0.147 25693 3091 1 9 . 1 1 60 60 VAL C C 60 177.956 177.956 175.393 2.563 25693 3092 1 9 . 1 1 60 60 VAL CA C 60 63.452 63.452 64.226 -0.774 25693 3093 1 9 . 1 1 60 60 VAL CB C 60 33.012 33.012 31.684 1.328 25693 3094 1 9 . 1 1 60 60 VAL H H 60 8.115 8.115 7.688 0.427 25693 3095 1 9 . 1 1 61 61 ARG N N 61 124.402 124.402 125.739 -1.337 25693 3096 1 9 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.574 0.059 25693 3097 1 9 . 1 1 61 61 ARG C C 61 177.786 177.786 175.622 2.164 25693 3098 1 9 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.038 1.675 25693 3099 1 9 . 1 1 61 61 ARG CB C 61 31.306 31.306 30.564 0.742 25693 3100 1 9 . 1 1 61 61 ARG H H 61 8.350 8.350 8.829 -0.479 25693 3101 1 9 . 1 1 62 62 SER N N 62 121.629 121.629 117.990 3.639 25693 3102 1 9 . 1 1 62 62 SER HA H 62 4.579 4.579 4.464 0.115 25693 3103 1 9 . 1 1 62 62 SER C C 62 177.687 177.687 174.157 3.530 25693 3104 1 9 . 1 1 62 62 SER CA C 62 56.270 56.270 59.018 -2.748 25693 3105 1 9 . 1 1 62 62 SER CB C 62 70.537 70.537 62.072 8.465 25693 3106 1 9 . 1 1 62 62 SER H H 62 8.253 8.253 8.392 -0.139 25693 3107 1 9 . 1 1 63 63 MET N N 63 121.452 121.452 125.143 -3.691 25693 3108 1 9 . 1 1 63 63 MET HA H 63 4.706 4.706 4.545 0.161 25693 3109 1 9 . 1 1 63 63 MET C C 63 177.252 177.252 173.320 3.932 25693 3110 1 9 . 1 1 63 63 MET CA C 63 54.861 54.861 56.308 -1.447 25693 3111 1 9 . 1 1 63 63 MET CB C 63 31.514 31.514 34.173 -2.659 25693 3112 1 9 . 1 1 63 63 MET H H 63 8.245 8.245 8.414 -0.169 25693 3113 1 9 . 1 1 64 64 ASP N N 64 120.811 120.811 122.213 -1.402 25693 3114 1 9 . 1 1 64 64 ASP C C 64 177.786 177.786 174.886 2.900 25693 3115 1 9 . 1 1 64 64 ASP CA C 64 56.468 56.468 52.997 3.471 25693 3116 1 9 . 1 1 64 64 ASP CB C 64 33.377 33.377 41.903 -8.526 25693 3117 1 9 . 1 1 64 64 ASP H H 64 8.251 8.251 8.100 0.151 25693 3118 1 9 . 1 1 65 65 ARG N N 65 120.563 120.563 120.972 -0.409 25693 3119 1 9 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.175 0.294 25693 3120 1 9 . 1 1 65 65 ARG C C 65 179.397 179.397 176.175 3.222 25693 3121 1 9 . 1 1 65 65 ARG CA C 65 57.080 57.080 57.022 0.058 25693 3122 1 9 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.138 3.372 25693 3123 1 9 . 1 1 65 65 ARG H H 65 8.145 8.145 8.549 -0.404 25693 3124 1 10 . 1 1 2 2 GLY C C 2 176.333 176.333 174.157 2.176 25693 3125 1 10 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.823 8.058 25693 3126 1 10 . 1 1 3 3 SER N N 3 119.606 119.606 116.263 3.343 25693 3127 1 10 . 1 1 3 3 SER C C 3 171.619 171.619 174.015 -2.396 25693 3128 1 10 . 1 1 3 3 SER CA C 3 62.684 62.684 57.503 5.181 25693 3129 1 10 . 1 1 3 3 SER CB C 3 62.684 62.684 63.576 -0.892 25693 3130 1 10 . 1 1 3 3 SER H H 3 8.031 8.031 8.045 -0.014 25693 3131 1 10 . 1 1 4 4 GLU N N 4 122.937 122.937 126.779 -3.842 25693 3132 1 10 . 1 1 4 4 GLU C C 4 178.452 178.452 175.467 2.985 25693 3133 1 10 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.196 1.191 25693 3134 1 10 . 1 1 4 4 GLU CB C 4 30.575 30.575 30.393 0.182 25693 3135 1 10 . 1 1 4 4 GLU H H 4 7.979 7.979 8.797 -0.818 25693 3136 1 10 . 1 1 5 5 VAL N N 5 120.522 120.522 122.961 -2.439 25693 3137 1 10 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.407 -0.138 25693 3138 1 10 . 1 1 5 5 VAL CA C 5 62.840 62.840 62.603 0.237 25693 3139 1 10 . 1 1 5 5 VAL CB C 5 33.194 33.194 31.343 1.851 25693 3140 1 10 . 1 1 5 5 VAL H H 5 8.185 8.185 8.622 -0.437 25693 3141 1 10 . 1 1 6 6 SER N N 6 119.109 119.109 119.973 -0.864 25693 3142 1 10 . 1 1 6 6 SER HA H 6 4.560 4.560 4.559 0.001 25693 3143 1 10 . 1 1 6 6 SER CA C 6 58.826 58.826 58.165 0.661 25693 3144 1 10 . 1 1 6 6 SER CB C 6 64.865 64.865 64.013 0.852 25693 3145 1 10 . 1 1 6 6 SER H H 6 8.340 8.340 8.637 -0.297 25693 3146 1 10 . 1 1 7 7 ASP N N 7 122.786 122.786 123.104 -0.318 25693 3147 1 10 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.770 -0.064 25693 3148 1 10 . 1 1 7 7 ASP C C 7 177.572 177.572 176.768 0.804 25693 3149 1 10 . 1 1 7 7 ASP CA C 7 54.936 54.936 53.986 0.950 25693 3150 1 10 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.974 0.010 25693 3151 1 10 . 1 1 7 7 ASP H H 7 8.347 8.347 7.951 0.396 25693 3152 1 10 . 1 1 8 8 LYS N N 8 119.939 119.939 121.941 -2.002 25693 3153 1 10 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.315 0.092 25693 3154 1 10 . 1 1 8 8 LYS C C 8 178.323 178.323 176.971 1.352 25693 3155 1 10 . 1 1 8 8 LYS CA C 8 56.844 56.844 56.330 0.514 25693 3156 1 10 . 1 1 8 8 LYS CB C 8 31.076 31.076 32.926 -1.850 25693 3157 1 10 . 1 1 8 8 LYS H H 8 8.060 8.060 8.455 -0.395 25693 3158 1 10 . 1 1 9 9 ARG N N 9 121.813 121.813 121.193 0.620 25693 3159 1 10 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.556 -0.087 25693 3160 1 10 . 1 1 9 9 ARG C C 9 178.148 178.148 174.712 3.436 25693 3161 1 10 . 1 1 9 9 ARG CA C 9 56.779 56.779 56.092 0.687 25693 3162 1 10 . 1 1 9 9 ARG CB C 9 31.062 31.062 31.585 -0.523 25693 3163 1 10 . 1 1 9 9 ARG H H 9 8.352 8.352 8.823 -0.471 25693 3164 1 10 . 1 1 10 10 THR N N 10 116.680 116.680 119.887 -3.207 25693 3165 1 10 . 1 1 10 10 THR HA H 10 4.487 4.487 4.334 0.153 25693 3166 1 10 . 1 1 10 10 THR CA C 10 59.286 59.286 62.701 -3.415 25693 3167 1 10 . 1 1 10 10 THR CB C 10 64.412 64.412 69.365 -4.953 25693 3168 1 10 . 1 1 10 10 THR H H 10 8.263 8.263 8.374 -0.111 25693 3169 1 10 . 1 1 11 11 CYS N N 11 124.443 124.443 125.039 -0.596 25693 3170 1 10 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.789 1.503 25693 3171 1 10 . 1 1 11 11 CYS C C 11 169.873 169.873 174.250 -4.377 25693 3172 1 10 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.386 -1.776 25693 3173 1 10 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.267 13.974 25693 3174 1 10 . 1 1 11 11 CYS H H 11 8.166 8.166 8.499 -0.333 25693 3175 1 10 . 1 1 12 12 VAL N N 12 118.379 118.379 120.791 -2.412 25693 3176 1 10 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.606 0.107 25693 3177 1 10 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.985 -0.015 25693 3178 1 10 . 1 1 12 12 VAL CB C 12 35.720 35.720 34.711 1.009 25693 3179 1 10 . 1 1 12 12 VAL H H 12 9.190 9.190 9.380 -0.190 25693 3180 1 10 . 1 1 13 13 SER N N 13 118.231 118.231 119.612 -1.381 25693 3181 1 10 . 1 1 13 13 SER HA H 13 5.457 5.457 5.180 0.277 25693 3182 1 10 . 1 1 13 13 SER CA C 13 57.815 57.815 57.099 0.716 25693 3183 1 10 . 1 1 13 13 SER CB C 13 66.744 66.744 65.181 1.563 25693 3184 1 10 . 1 1 13 13 SER H H 13 8.477 8.477 8.258 0.219 25693 3185 1 10 . 1 1 14 14 LEU N N 14 125.590 125.590 125.800 -0.210 25693 3186 1 10 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.777 0.039 25693 3187 1 10 . 1 1 14 14 LEU C C 14 176.497 176.497 176.075 0.422 25693 3188 1 10 . 1 1 14 14 LEU CA C 14 55.068 55.068 53.956 1.112 25693 3189 1 10 . 1 1 14 14 LEU CB C 14 45.750 45.750 45.017 0.733 25693 3190 1 10 . 1 1 14 14 LEU H H 14 9.031 9.031 9.064 -0.033 25693 3191 1 10 . 1 1 15 15 THR N N 15 121.083 121.083 113.882 7.201 25693 3192 1 10 . 1 1 15 15 THR HA H 15 4.870 4.870 4.945 -0.075 25693 3193 1 10 . 1 1 15 15 THR C C 15 171.445 171.445 173.880 -2.435 25693 3194 1 10 . 1 1 15 15 THR CA C 15 62.607 62.607 60.535 2.072 25693 3195 1 10 . 1 1 15 15 THR CB C 15 70.127 70.127 70.124 0.003 25693 3196 1 10 . 1 1 15 15 THR H H 15 8.684 8.684 8.330 0.354 25693 3197 1 10 . 1 1 16 16 THR N N 16 117.142 117.142 117.311 -0.169 25693 3198 1 10 . 1 1 16 16 THR HA H 16 4.724 4.724 4.568 0.156 25693 3199 1 10 . 1 1 16 16 THR CA C 16 61.091 61.091 60.019 1.072 25693 3200 1 10 . 1 1 16 16 THR CB C 16 71.260 71.260 69.937 1.323 25693 3201 1 10 . 1 1 16 16 THR H H 16 8.114 8.114 8.424 -0.310 25693 3202 1 10 . 1 1 17 17 GLN N N 17 119.423 119.423 121.451 -2.028 25693 3203 1 10 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.137 0.360 25693 3204 1 10 . 1 1 17 17 GLN CA C 17 56.561 56.561 56.383 0.178 25693 3205 1 10 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.004 0.840 25693 3206 1 10 . 1 1 17 17 GLN H H 17 8.260 8.260 8.430 -0.170 25693 3207 1 10 . 1 1 18 18 ARG N N 18 119.630 119.630 122.762 -3.132 25693 3208 1 10 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.257 0.250 25693 3209 1 10 . 1 1 18 18 ARG C C 18 177.434 177.434 176.078 1.356 25693 3210 1 10 . 1 1 18 18 ARG CA C 18 57.111 57.111 56.931 0.180 25693 3211 1 10 . 1 1 18 18 ARG CB C 18 30.895 30.895 29.263 1.632 25693 3212 1 10 . 1 1 18 18 ARG H H 18 8.190 8.190 8.631 -0.441 25693 3213 1 10 . 1 1 19 19 LEU N N 19 125.797 125.797 126.794 -0.997 25693 3214 1 10 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.156 1.085 25693 3215 1 10 . 1 1 19 19 LEU CB C 19 43.403 43.403 45.230 -1.827 25693 3216 1 10 . 1 1 19 19 LEU H H 19 8.674 8.674 7.954 0.720 25693 3217 1 10 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.552 0.236 25693 3218 1 10 . 1 1 20 20 PRO C C 20 177.352 177.352 175.525 1.827 25693 3219 1 10 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.785 0.361 25693 3220 1 10 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.932 -2.440 25693 3221 1 10 . 1 1 21 21 VAL N N 21 119.308 119.308 118.044 1.264 25693 3222 1 10 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.452 -0.315 25693 3223 1 10 . 1 1 21 21 VAL CA C 21 61.308 61.308 59.966 1.342 25693 3224 1 10 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.151 0.477 25693 3225 1 10 . 1 1 21 21 VAL H H 21 7.850 7.850 7.602 0.248 25693 3226 1 10 . 1 1 22 22 SER N N 22 121.709 121.709 116.271 5.438 25693 3227 1 10 . 1 1 22 22 SER HA H 22 4.589 4.589 4.367 0.222 25693 3228 1 10 . 1 1 22 22 SER C C 22 170.922 170.922 174.785 -3.863 25693 3229 1 10 . 1 1 22 22 SER CA C 22 59.316 59.316 60.069 -0.753 25693 3230 1 10 . 1 1 22 22 SER CB C 22 64.576 64.576 63.551 1.024 25693 3231 1 10 . 1 1 22 22 SER H H 22 8.671 8.671 8.484 0.187 25693 3232 1 10 . 1 1 23 23 ARG N N 23 120.473 120.473 119.580 0.893 25693 3233 1 10 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.432 0.147 25693 3234 1 10 . 1 1 23 23 ARG C C 23 171.215 171.215 174.616 -3.401 25693 3235 1 10 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.103 0.293 25693 3236 1 10 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.363 0.028 25693 3237 1 10 . 1 1 23 23 ARG H H 23 7.828 7.828 7.789 0.039 25693 3238 1 10 . 1 1 24 24 ILE N N 24 120.563 120.563 124.274 -3.711 25693 3239 1 10 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.649 -0.214 25693 3240 1 10 . 1 1 24 24 ILE C C 24 176.100 176.100 176.131 -0.031 25693 3241 1 10 . 1 1 24 24 ILE CA C 24 62.503 62.503 60.248 2.256 25693 3242 1 10 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.114 3.395 25693 3243 1 10 . 1 1 24 24 ILE H H 24 8.085 8.085 8.470 -0.385 25693 3244 1 10 . 1 1 25 25 LYS N N 25 127.474 127.474 127.605 -0.131 25693 3245 1 10 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.715 0.056 25693 3246 1 10 . 1 1 25 25 LYS C C 25 173.336 173.336 174.917 -1.581 25693 3247 1 10 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.539 0.581 25693 3248 1 10 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.426 0.399 25693 3249 1 10 . 1 1 25 25 LYS H H 25 8.526 8.526 7.840 0.686 25693 3250 1 10 . 1 1 26 26 THR N N 26 114.644 114.644 112.487 2.157 25693 3251 1 10 . 1 1 26 26 THR HA H 26 5.512 5.512 5.413 0.099 25693 3252 1 10 . 1 1 26 26 THR C C 26 169.422 169.422 173.787 -4.365 25693 3253 1 10 . 1 1 26 26 THR CA C 26 60.264 60.264 59.685 0.578 25693 3254 1 10 . 1 1 26 26 THR CB C 26 72.098 72.098 70.377 1.721 25693 3255 1 10 . 1 1 26 26 THR H H 26 7.998 7.998 7.999 -0.001 25693 3256 1 10 . 1 1 27 27 TYR N N 27 122.745 122.745 126.009 -3.264 25693 3257 1 10 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.621 0.256 25693 3258 1 10 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.010 0.321 25693 3259 1 10 . 1 1 27 27 TYR CB C 27 42.601 42.601 40.882 1.719 25693 3260 1 10 . 1 1 27 27 TYR H H 27 8.848 8.848 8.743 0.105 25693 3261 1 10 . 1 1 28 28 THR N N 28 117.167 117.167 120.921 -3.754 25693 3262 1 10 . 1 1 28 28 THR HA H 28 5.005 5.005 5.352 -0.347 25693 3263 1 10 . 1 1 28 28 THR C C 28 169.027 169.027 173.864 -4.837 25693 3264 1 10 . 1 1 28 28 THR CA C 28 61.921 61.921 61.602 0.319 25693 3265 1 10 . 1 1 28 28 THR CB C 28 70.988 70.988 69.724 1.264 25693 3266 1 10 . 1 1 28 28 THR H H 28 8.532 8.532 8.562 -0.030 25693 3267 1 10 . 1 1 29 29 ILE N N 29 124.474 124.474 128.589 -4.115 25693 3268 1 10 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.371 -0.019 25693 3269 1 10 . 1 1 29 29 ILE C C 29 171.747 171.747 175.051 -3.304 25693 3270 1 10 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.524 -0.319 25693 3271 1 10 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.431 1.595 25693 3272 1 10 . 1 1 29 29 ILE H H 29 8.782 8.782 9.141 -0.359 25693 3273 1 10 . 1 1 30 30 THR N N 30 120.157 120.157 118.991 1.166 25693 3274 1 10 . 1 1 30 30 THR HA H 30 5.143 5.143 4.958 0.185 25693 3275 1 10 . 1 1 30 30 THR C C 30 170.054 170.054 173.976 -3.922 25693 3276 1 10 . 1 1 30 30 THR CA C 30 60.664 60.664 60.114 0.550 25693 3277 1 10 . 1 1 30 30 THR CB C 30 71.397 71.397 69.043 2.354 25693 3278 1 10 . 1 1 30 30 THR H H 30 8.475 8.475 8.514 -0.039 25693 3279 1 10 . 1 1 31 31 GLU N N 31 126.425 126.425 124.600 1.825 25693 3280 1 10 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.419 0.232 25693 3281 1 10 . 1 1 31 31 GLU C C 31 176.004 176.004 176.976 -0.972 25693 3282 1 10 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.246 -0.034 25693 3283 1 10 . 1 1 31 31 GLU CB C 31 31.637 31.637 29.391 2.246 25693 3284 1 10 . 1 1 31 31 GLU H H 31 8.589 8.589 8.373 0.216 25693 3285 1 10 . 1 1 32 32 GLY N N 32 116.534 116.534 113.813 2.721 25693 3286 1 10 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.338 2.354 25693 3287 1 10 . 1 1 32 32 GLY H H 32 8.996 8.996 8.601 0.395 25693 3288 1 10 . 1 1 33 33 SER HA H 33 4.452 4.452 4.203 0.249 25693 3289 1 10 . 1 1 33 33 SER C C 33 173.267 173.267 173.477 -0.210 25693 3290 1 10 . 1 1 33 33 SER CA C 33 59.715 59.715 58.374 1.341 25693 3291 1 10 . 1 1 33 33 SER CB C 33 59.715 59.715 63.007 -3.292 25693 3292 1 10 . 1 1 34 34 LEU N N 34 116.305 116.305 119.708 -3.403 25693 3293 1 10 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.527 0.134 25693 3294 1 10 . 1 1 34 34 LEU C C 34 173.314 173.314 174.354 -1.040 25693 3295 1 10 . 1 1 34 34 LEU CA C 34 55.304 55.304 55.282 0.021 25693 3296 1 10 . 1 1 34 34 LEU CB C 34 44.132 44.132 46.070 -1.938 25693 3297 1 10 . 1 1 34 34 LEU H H 34 8.425 8.425 7.843 0.582 25693 3298 1 10 . 1 1 35 35 ARG N N 35 127.474 127.474 124.212 3.262 25693 3299 1 10 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.291 -0.100 25693 3300 1 10 . 1 1 35 35 ARG C C 35 175.720 175.720 174.924 0.796 25693 3301 1 10 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.544 0.760 25693 3302 1 10 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.299 0.509 25693 3303 1 10 . 1 1 35 35 ARG H H 35 8.560 8.560 9.162 -0.602 25693 3304 1 10 . 1 1 36 36 CYS N N 36 122.335 122.335 124.084 -1.749 25693 3305 1 10 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.333 0.515 25693 3306 1 10 . 1 1 36 36 CYS CA C 36 55.839 55.839 58.136 -2.297 25693 3307 1 10 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.092 19.973 25693 3308 1 10 . 1 1 36 36 CYS H H 36 9.179 9.179 9.216 -0.037 25693 3309 1 10 . 1 1 37 37 VAL N N 37 122.327 122.327 124.129 -1.802 25693 3310 1 10 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.158 -0.405 25693 3311 1 10 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.867 0.239 25693 3312 1 10 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.650 0.509 25693 3313 1 10 . 1 1 37 37 VAL H H 37 9.308 9.308 9.459 -0.151 25693 3314 1 10 . 1 1 38 38 ILE N N 38 126.295 126.295 126.197 0.098 25693 3315 1 10 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.971 -0.123 25693 3316 1 10 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.112 0.368 25693 3317 1 10 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.228 0.663 25693 3318 1 10 . 1 1 38 38 ILE H H 38 9.014 9.014 8.827 0.187 25693 3319 1 10 . 1 1 39 39 PHE N N 39 124.882 124.882 127.233 -2.351 25693 3320 1 10 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.297 0.010 25693 3321 1 10 . 1 1 39 39 PHE C C 39 174.855 174.855 175.523 -0.668 25693 3322 1 10 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.509 -0.011 25693 3323 1 10 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.302 1.205 25693 3324 1 10 . 1 1 39 39 PHE H H 39 9.700 9.700 9.654 0.046 25693 3325 1 10 . 1 1 40 40 ILE N N 40 124.722 124.722 126.968 -2.246 25693 3326 1 10 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.368 0.354 25693 3327 1 10 . 1 1 40 40 ILE C C 40 173.603 173.603 175.021 -1.418 25693 3328 1 10 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.357 0.379 25693 3329 1 10 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.034 0.877 25693 3330 1 10 . 1 1 40 40 ILE H H 40 9.313 9.313 9.191 0.122 25693 3331 1 10 . 1 1 41 41 THR N N 41 116.571 116.571 120.048 -3.477 25693 3332 1 10 . 1 1 41 41 THR HA H 41 4.988 4.988 4.820 0.168 25693 3333 1 10 . 1 1 41 41 THR C C 41 171.363 171.363 174.474 -3.111 25693 3334 1 10 . 1 1 41 41 THR CA C 41 59.776 59.776 59.579 0.197 25693 3335 1 10 . 1 1 41 41 THR CB C 41 72.930 72.930 71.958 0.972 25693 3336 1 10 . 1 1 41 41 THR H H 41 8.593 8.593 8.921 -0.328 25693 3337 1 10 . 1 1 42 42 LYS N N 42 116.228 116.228 120.223 -3.995 25693 3338 1 10 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.394 0.013 25693 3339 1 10 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.482 2.018 25693 3340 1 10 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.390 1.943 25693 3341 1 10 . 1 1 42 42 LYS H H 42 8.597 8.597 8.929 -0.332 25693 3342 1 10 . 1 1 43 43 ARG N N 43 113.916 113.916 117.611 -3.695 25693 3343 1 10 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.582 0.069 25693 3344 1 10 . 1 1 43 43 ARG C C 43 176.160 176.160 175.694 0.466 25693 3345 1 10 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.958 -0.746 25693 3346 1 10 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.141 -0.591 25693 3347 1 10 . 1 1 43 43 ARG H H 43 7.753 7.753 7.432 0.321 25693 3348 1 10 . 1 1 44 44 GLY N N 44 107.712 107.712 106.064 1.648 25693 3349 1 10 . 1 1 44 44 GLY C C 44 163.798 163.798 172.078 -8.280 25693 3350 1 10 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.266 0.856 25693 3351 1 10 . 1 1 44 44 GLY H H 44 7.498 7.498 7.683 -0.185 25693 3352 1 10 . 1 1 45 45 LEU N N 45 120.948 120.948 120.494 0.454 25693 3353 1 10 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.409 0.122 25693 3354 1 10 . 1 1 45 45 LEU C C 45 175.801 175.801 174.938 0.863 25693 3355 1 10 . 1 1 45 45 LEU CA C 45 54.201 54.201 53.179 1.022 25693 3356 1 10 . 1 1 45 45 LEU CB C 45 47.446 47.446 45.938 1.508 25693 3357 1 10 . 1 1 45 45 LEU H H 45 8.374 8.374 8.593 -0.219 25693 3358 1 10 . 1 1 46 46 LYS N N 46 124.968 124.968 123.507 1.461 25693 3359 1 10 . 1 1 46 46 LYS HA H 46 5.333 5.333 4.971 0.362 25693 3360 1 10 . 1 1 46 46 LYS C C 46 171.169 171.169 174.092 -2.923 25693 3361 1 10 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.367 0.488 25693 3362 1 10 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.939 0.807 25693 3363 1 10 . 1 1 46 46 LYS H H 46 9.115 9.115 9.016 0.099 25693 3364 1 10 . 1 1 47 47 VAL N N 47 126.006 126.006 127.005 -0.999 25693 3365 1 10 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.290 -0.037 25693 3366 1 10 . 1 1 47 47 VAL C C 47 173.892 173.892 173.157 0.735 25693 3367 1 10 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.778 1.162 25693 3368 1 10 . 1 1 47 47 VAL CB C 47 34.851 34.851 35.144 -0.293 25693 3369 1 10 . 1 1 47 47 VAL H H 47 9.221 9.221 9.212 0.009 25693 3370 1 10 . 1 1 48 48 CYS N N 48 123.279 123.279 128.744 -5.465 25693 3371 1 10 . 1 1 48 48 CYS HA H 48 6.040 6.040 4.918 1.122 25693 3372 1 10 . 1 1 48 48 CYS C C 48 172.554 172.554 172.626 -0.072 25693 3373 1 10 . 1 1 48 48 CYS CA C 48 55.181 55.181 57.922 -2.740 25693 3374 1 10 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.742 19.920 25693 3375 1 10 . 1 1 48 48 CYS H H 48 9.201 9.201 9.269 -0.068 25693 3376 1 10 . 1 1 49 49 CYS N N 49 119.872 119.872 128.165 -8.293 25693 3377 1 10 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.330 0.349 25693 3378 1 10 . 1 1 49 49 CYS CA C 49 56.214 56.214 57.852 -1.638 25693 3379 1 10 . 1 1 49 49 CYS CB C 49 48.015 48.015 30.806 17.209 25693 3380 1 10 . 1 1 49 49 CYS H H 49 9.117 9.117 8.697 0.420 25693 3381 1 10 . 1 1 50 50 ASP N N 50 123.093 123.093 124.995 -1.902 25693 3382 1 10 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.176 -0.014 25693 3383 1 10 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.815 1.054 25693 3384 1 10 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.179 -1.341 25693 3385 1 10 . 1 1 50 50 ASP H H 50 8.837 8.837 9.089 -0.252 25693 3386 1 10 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.551 0.174 25693 3387 1 10 . 1 1 51 51 PRO C C 51 178.489 178.489 176.237 2.252 25693 3388 1 10 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.295 0.280 25693 3389 1 10 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.001 1.549 25693 3390 1 10 . 1 1 52 52 GLN N N 52 120.594 120.594 114.582 6.012 25693 3391 1 10 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.127 0.241 25693 3392 1 10 . 1 1 52 52 GLN C C 52 175.779 175.779 175.207 0.572 25693 3393 1 10 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.634 -0.479 25693 3394 1 10 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.413 3.656 25693 3395 1 10 . 1 1 52 52 GLN H H 52 8.504 8.504 8.012 0.492 25693 3396 1 10 . 1 1 53 53 ALA N N 53 124.936 124.936 123.735 1.201 25693 3397 1 10 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.315 0.027 25693 3398 1 10 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.236 -0.022 25693 3399 1 10 . 1 1 53 53 ALA CB C 53 19.978 19.978 18.300 1.678 25693 3400 1 10 . 1 1 53 53 ALA H H 53 8.290 8.290 9.399 -1.109 25693 3401 1 10 . 1 1 54 54 THR N N 54 112.200 112.200 115.586 -3.386 25693 3402 1 10 . 1 1 54 54 THR HA H 54 4.318 4.318 3.924 0.394 25693 3403 1 10 . 1 1 54 54 THR CA C 54 62.594 62.594 64.909 -2.315 25693 3404 1 10 . 1 1 54 54 THR CB C 54 70.341 70.341 66.922 3.418 25693 3405 1 10 . 1 1 54 54 THR H H 54 8.011 8.011 8.647 -0.636 25693 3406 1 10 . 1 1 55 55 TRP N N 55 122.937 122.937 121.925 1.012 25693 3407 1 10 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.761 0.042 25693 3408 1 10 . 1 1 55 55 TRP C C 55 176.602 176.602 176.555 0.047 25693 3409 1 10 . 1 1 55 55 TRP CA C 55 57.651 57.651 57.303 0.348 25693 3410 1 10 . 1 1 55 55 TRP CB C 55 30.105 30.105 29.125 0.980 25693 3411 1 10 . 1 1 55 55 TRP H H 55 7.979 7.979 7.537 0.442 25693 3412 1 10 . 1 1 56 56 VAL N N 56 121.829 121.829 116.050 5.779 25693 3413 1 10 . 1 1 56 56 VAL HA H 56 4.031 4.031 3.958 0.073 25693 3414 1 10 . 1 1 56 56 VAL C C 56 175.779 175.779 176.401 -0.622 25693 3415 1 10 . 1 1 56 56 VAL CA C 56 63.060 63.060 63.507 -0.446 25693 3416 1 10 . 1 1 56 56 VAL CB C 56 33.012 33.012 31.297 1.715 25693 3417 1 10 . 1 1 56 56 VAL H H 56 7.817 7.817 7.592 0.225 25693 3418 1 10 . 1 1 57 57 ARG N N 57 123.817 123.817 121.124 2.693 25693 3419 1 10 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.128 0.177 25693 3420 1 10 . 1 1 57 57 ARG C C 57 176.484 176.484 176.277 0.207 25693 3421 1 10 . 1 1 57 57 ARG CA C 57 56.741 56.741 58.462 -1.721 25693 3422 1 10 . 1 1 57 57 ARG CB C 57 31.502 31.502 30.767 0.735 25693 3423 1 10 . 1 1 57 57 ARG H H 57 8.087 8.087 7.925 0.162 25693 3424 1 10 . 1 1 58 58 ASP N N 58 121.452 121.452 117.869 3.583 25693 3425 1 10 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.759 -0.042 25693 3426 1 10 . 1 1 58 58 ASP C C 58 177.508 177.508 176.266 1.242 25693 3427 1 10 . 1 1 58 58 ASP CA C 58 54.966 54.966 53.099 1.867 25693 3428 1 10 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.649 0.372 25693 3429 1 10 . 1 1 58 58 ASP H H 58 8.240 8.240 8.180 0.060 25693 3430 1 10 . 1 1 59 59 VAL N N 59 120.104 120.104 122.215 -2.111 25693 3431 1 10 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.463 -0.296 25693 3432 1 10 . 1 1 59 59 VAL C C 59 177.636 177.636 175.384 2.252 25693 3433 1 10 . 1 1 59 59 VAL CA C 59 63.146 63.146 60.849 2.297 25693 3434 1 10 . 1 1 59 59 VAL CB C 59 33.377 33.377 31.377 2.000 25693 3435 1 10 . 1 1 59 59 VAL H H 59 8.059 8.059 8.594 -0.535 25693 3436 1 10 . 1 1 60 60 VAL N N 60 123.394 123.394 119.447 3.947 25693 3437 1 10 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.679 0.464 25693 3438 1 10 . 1 1 60 60 VAL C C 60 177.956 177.956 175.344 2.612 25693 3439 1 10 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.616 0.836 25693 3440 1 10 . 1 1 60 60 VAL CB C 60 33.012 33.012 30.134 2.878 25693 3441 1 10 . 1 1 60 60 VAL H H 60 8.115 8.115 7.708 0.407 25693 3442 1 10 . 1 1 61 61 ARG N N 61 124.402 124.402 128.470 -4.068 25693 3443 1 10 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.263 0.370 25693 3444 1 10 . 1 1 61 61 ARG C C 61 177.786 177.786 175.794 1.992 25693 3445 1 10 . 1 1 61 61 ARG CA C 61 56.713 56.713 56.875 -0.162 25693 3446 1 10 . 1 1 61 61 ARG CB C 61 31.306 31.306 29.629 1.677 25693 3447 1 10 . 1 1 61 61 ARG H H 61 8.350 8.350 8.769 -0.419 25693 3448 1 10 . 1 1 62 62 SER N N 62 121.629 121.629 118.212 3.417 25693 3449 1 10 . 1 1 62 62 SER HA H 62 4.579 4.579 4.527 0.052 25693 3450 1 10 . 1 1 62 62 SER C C 62 177.687 177.687 174.201 3.486 25693 3451 1 10 . 1 1 62 62 SER CA C 62 56.270 56.270 58.519 -2.249 25693 3452 1 10 . 1 1 62 62 SER CB C 62 70.537 70.537 63.665 6.872 25693 3453 1 10 . 1 1 62 62 SER H H 62 8.253 8.253 8.218 0.035 25693 3454 1 10 . 1 1 63 63 MET N N 63 121.452 121.452 117.514 3.938 25693 3455 1 10 . 1 1 63 63 MET HA H 63 4.706 4.706 4.742 -0.036 25693 3456 1 10 . 1 1 63 63 MET C C 63 177.252 177.252 175.221 2.031 25693 3457 1 10 . 1 1 63 63 MET CA C 63 54.861 54.861 54.819 0.042 25693 3458 1 10 . 1 1 63 63 MET CB C 63 31.514 31.514 32.813 -1.299 25693 3459 1 10 . 1 1 63 63 MET H H 63 8.245 8.245 7.823 0.422 25693 3460 1 10 . 1 1 64 64 ASP N N 64 120.811 120.811 123.014 -2.203 25693 3461 1 10 . 1 1 64 64 ASP C C 64 177.786 177.786 175.138 2.648 25693 3462 1 10 . 1 1 64 64 ASP CA C 64 56.468 56.468 54.203 2.265 25693 3463 1 10 . 1 1 64 64 ASP CB C 64 33.377 33.377 40.301 -6.925 25693 3464 1 10 . 1 1 64 64 ASP H H 64 8.251 8.251 8.150 0.101 25693 3465 1 10 . 1 1 65 65 ARG N N 65 120.563 120.563 125.166 -4.603 25693 3466 1 10 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.508 -0.039 25693 3467 1 10 . 1 1 65 65 ARG C C 65 179.397 179.397 174.416 4.981 25693 3468 1 10 . 1 1 65 65 ARG CA C 65 57.080 57.080 56.226 0.854 25693 3469 1 10 . 1 1 65 65 ARG CB C 65 33.510 33.510 32.194 1.316 25693 3470 1 10 . 1 1 65 65 ARG H H 65 8.145 8.145 7.718 0.427 25693 3471 1 11 . 1 1 2 2 GLY C C 2 176.333 176.333 173.421 2.912 25693 3472 1 11 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.509 8.372 25693 3473 1 11 . 1 1 3 3 SER N N 3 119.606 119.606 116.223 3.383 25693 3474 1 11 . 1 1 3 3 SER C C 3 171.619 171.619 173.644 -2.025 25693 3475 1 11 . 1 1 3 3 SER CA C 3 62.684 62.684 57.982 4.702 25693 3476 1 11 . 1 1 3 3 SER CB C 3 62.684 62.684 64.284 -1.601 25693 3477 1 11 . 1 1 3 3 SER H H 3 8.031 8.031 8.078 -0.047 25693 3478 1 11 . 1 1 4 4 GLU N N 4 122.937 122.937 126.928 -3.991 25693 3479 1 11 . 1 1 4 4 GLU C C 4 178.452 178.452 175.985 2.467 25693 3480 1 11 . 1 1 4 4 GLU CA C 4 57.387 57.387 55.424 1.963 25693 3481 1 11 . 1 1 4 4 GLU CB C 4 30.575 30.575 30.375 0.200 25693 3482 1 11 . 1 1 4 4 GLU H H 4 7.979 7.979 8.488 -0.509 25693 3483 1 11 . 1 1 5 5 VAL N N 5 120.522 120.522 118.657 1.865 25693 3484 1 11 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.352 -0.083 25693 3485 1 11 . 1 1 5 5 VAL CA C 5 62.840 62.840 62.551 0.289 25693 3486 1 11 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.521 0.673 25693 3487 1 11 . 1 1 5 5 VAL H H 5 8.185 8.185 8.217 -0.032 25693 3488 1 11 . 1 1 6 6 SER N N 6 119.109 119.109 120.883 -1.774 25693 3489 1 11 . 1 1 6 6 SER HA H 6 4.560 4.560 4.571 -0.011 25693 3490 1 11 . 1 1 6 6 SER CA C 6 58.826 58.826 58.265 0.561 25693 3491 1 11 . 1 1 6 6 SER CB C 6 64.865 64.865 64.053 0.812 25693 3492 1 11 . 1 1 6 6 SER H H 6 8.340 8.340 8.303 0.037 25693 3493 1 11 . 1 1 7 7 ASP N N 7 122.786 122.786 126.240 -3.454 25693 3494 1 11 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.448 0.258 25693 3495 1 11 . 1 1 7 7 ASP C C 7 177.572 177.572 176.102 1.470 25693 3496 1 11 . 1 1 7 7 ASP CA C 7 54.936 54.936 56.036 -1.100 25693 3497 1 11 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.429 0.555 25693 3498 1 11 . 1 1 7 7 ASP H H 7 8.347 8.347 8.906 -0.559 25693 3499 1 11 . 1 1 8 8 LYS N N 8 119.939 119.939 117.180 2.759 25693 3500 1 11 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.600 -0.193 25693 3501 1 11 . 1 1 8 8 LYS C C 8 178.323 178.323 175.099 3.224 25693 3502 1 11 . 1 1 8 8 LYS CA C 8 56.844 56.844 55.173 1.671 25693 3503 1 11 . 1 1 8 8 LYS CB C 8 31.076 31.076 34.601 -3.525 25693 3504 1 11 . 1 1 8 8 LYS H H 8 8.060 8.060 8.073 -0.013 25693 3505 1 11 . 1 1 9 9 ARG N N 9 121.813 121.813 121.389 0.424 25693 3506 1 11 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.269 0.200 25693 3507 1 11 . 1 1 9 9 ARG C C 9 178.148 178.148 176.363 1.785 25693 3508 1 11 . 1 1 9 9 ARG CA C 9 56.779 56.779 56.085 0.694 25693 3509 1 11 . 1 1 9 9 ARG CB C 9 31.062 31.062 29.471 1.591 25693 3510 1 11 . 1 1 9 9 ARG H H 9 8.352 8.352 8.613 -0.261 25693 3511 1 11 . 1 1 10 10 THR N N 10 116.680 116.680 121.768 -5.088 25693 3512 1 11 . 1 1 10 10 THR HA H 10 4.487 4.487 4.410 0.077 25693 3513 1 11 . 1 1 10 10 THR CA C 10 59.286 59.286 62.790 -3.504 25693 3514 1 11 . 1 1 10 10 THR CB C 10 64.412 64.412 68.976 -4.564 25693 3515 1 11 . 1 1 10 10 THR H H 10 8.263 8.263 8.317 -0.054 25693 3516 1 11 . 1 1 11 11 CYS N N 11 124.443 124.443 125.189 -0.746 25693 3517 1 11 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.639 1.653 25693 3518 1 11 . 1 1 11 11 CYS C C 11 169.873 169.873 174.090 -4.217 25693 3519 1 11 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.888 -2.277 25693 3520 1 11 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.429 13.812 25693 3521 1 11 . 1 1 11 11 CYS H H 11 8.166 8.166 8.619 -0.453 25693 3522 1 11 . 1 1 12 12 VAL N N 12 118.379 118.379 124.450 -6.071 25693 3523 1 11 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.299 0.414 25693 3524 1 11 . 1 1 12 12 VAL CA C 12 60.970 60.970 61.816 -0.846 25693 3525 1 11 . 1 1 12 12 VAL CB C 12 35.720 35.720 33.374 2.345 25693 3526 1 11 . 1 1 12 12 VAL H H 12 9.190 9.190 9.102 0.088 25693 3527 1 11 . 1 1 13 13 SER N N 13 118.231 118.231 122.677 -4.446 25693 3528 1 11 . 1 1 13 13 SER HA H 13 5.457 5.457 5.004 0.453 25693 3529 1 11 . 1 1 13 13 SER CA C 13 57.815 57.815 56.937 0.878 25693 3530 1 11 . 1 1 13 13 SER CB C 13 66.744 66.744 63.868 2.876 25693 3531 1 11 . 1 1 13 13 SER H H 13 8.477 8.477 8.590 -0.113 25693 3532 1 11 . 1 1 14 14 LEU N N 14 125.590 125.590 127.943 -2.353 25693 3533 1 11 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.676 0.140 25693 3534 1 11 . 1 1 14 14 LEU C C 14 176.497 176.497 175.949 0.548 25693 3535 1 11 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.078 0.990 25693 3536 1 11 . 1 1 14 14 LEU CB C 14 45.750 45.750 43.638 2.112 25693 3537 1 11 . 1 1 14 14 LEU H H 14 9.031 9.031 8.828 0.203 25693 3538 1 11 . 1 1 15 15 THR N N 15 121.083 121.083 120.737 0.346 25693 3539 1 11 . 1 1 15 15 THR HA H 15 4.870 4.870 4.892 -0.022 25693 3540 1 11 . 1 1 15 15 THR C C 15 171.445 171.445 173.912 -2.467 25693 3541 1 11 . 1 1 15 15 THR CA C 15 62.607 62.607 61.642 0.965 25693 3542 1 11 . 1 1 15 15 THR CB C 15 70.127 70.127 70.035 0.092 25693 3543 1 11 . 1 1 15 15 THR H H 15 8.684 8.684 8.478 0.206 25693 3544 1 11 . 1 1 16 16 THR N N 16 117.142 117.142 118.467 -1.325 25693 3545 1 11 . 1 1 16 16 THR HA H 16 4.724 4.724 4.661 0.063 25693 3546 1 11 . 1 1 16 16 THR CA C 16 61.091 61.091 59.377 1.714 25693 3547 1 11 . 1 1 16 16 THR CB C 16 71.260 71.260 69.837 1.423 25693 3548 1 11 . 1 1 16 16 THR H H 16 8.114 8.114 8.536 -0.422 25693 3549 1 11 . 1 1 17 17 GLN N N 17 119.423 119.423 120.881 -1.458 25693 3550 1 11 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.171 0.326 25693 3551 1 11 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.965 -1.405 25693 3552 1 11 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.907 0.937 25693 3553 1 11 . 1 1 17 17 GLN H H 17 8.260 8.260 8.578 -0.318 25693 3554 1 11 . 1 1 18 18 ARG N N 18 119.630 119.630 119.053 0.577 25693 3555 1 11 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.806 -0.299 25693 3556 1 11 . 1 1 18 18 ARG C C 18 177.434 177.434 174.443 2.991 25693 3557 1 11 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.665 1.446 25693 3558 1 11 . 1 1 18 18 ARG CB C 18 30.895 30.895 31.626 -0.731 25693 3559 1 11 . 1 1 18 18 ARG H H 18 8.190 8.190 8.185 0.005 25693 3560 1 11 . 1 1 19 19 LEU N N 19 125.797 125.797 128.330 -2.533 25693 3561 1 11 . 1 1 19 19 LEU CA C 19 52.241 52.241 52.039 0.202 25693 3562 1 11 . 1 1 19 19 LEU CB C 19 43.403 43.403 43.417 -0.014 25693 3563 1 11 . 1 1 19 19 LEU H H 19 8.674 8.674 8.638 0.036 25693 3564 1 11 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.510 0.278 25693 3565 1 11 . 1 1 20 20 PRO C C 20 177.352 177.352 175.762 1.590 25693 3566 1 11 . 1 1 20 20 PRO CA C 20 63.146 63.146 63.563 -0.417 25693 3567 1 11 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.970 -2.478 25693 3568 1 11 . 1 1 21 21 VAL N N 21 119.308 119.308 117.925 1.383 25693 3569 1 11 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.464 -0.326 25693 3570 1 11 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.338 0.970 25693 3571 1 11 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.324 0.304 25693 3572 1 11 . 1 1 21 21 VAL H H 21 7.850 7.850 7.796 0.054 25693 3573 1 11 . 1 1 22 22 SER N N 22 121.709 121.709 118.004 3.705 25693 3574 1 11 . 1 1 22 22 SER HA H 22 4.589 4.589 4.494 0.095 25693 3575 1 11 . 1 1 22 22 SER C C 22 170.922 170.922 174.835 -3.913 25693 3576 1 11 . 1 1 22 22 SER CA C 22 59.316 59.316 59.773 -0.457 25693 3577 1 11 . 1 1 22 22 SER CB C 22 64.576 64.576 63.508 1.068 25693 3578 1 11 . 1 1 22 22 SER H H 22 8.671 8.671 8.623 0.048 25693 3579 1 11 . 1 1 23 23 ARG N N 23 120.473 120.473 120.504 -0.031 25693 3580 1 11 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.536 0.043 25693 3581 1 11 . 1 1 23 23 ARG C C 23 171.215 171.215 174.347 -3.132 25693 3582 1 11 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.435 -0.039 25693 3583 1 11 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.230 0.161 25693 3584 1 11 . 1 1 23 23 ARG H H 23 7.828 7.828 7.793 0.035 25693 3585 1 11 . 1 1 24 24 ILE N N 24 120.563 120.563 126.422 -5.859 25693 3586 1 11 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.700 -0.265 25693 3587 1 11 . 1 1 24 24 ILE C C 24 176.100 176.100 175.950 0.150 25693 3588 1 11 . 1 1 24 24 ILE CA C 24 62.503 62.503 60.166 2.337 25693 3589 1 11 . 1 1 24 24 ILE CB C 24 39.509 39.509 37.016 2.493 25693 3590 1 11 . 1 1 24 24 ILE H H 24 8.085 8.085 8.512 -0.427 25693 3591 1 11 . 1 1 25 25 LYS N N 25 127.474 127.474 127.786 -0.312 25693 3592 1 11 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.731 0.040 25693 3593 1 11 . 1 1 25 25 LYS C C 25 173.336 173.336 174.981 -1.645 25693 3594 1 11 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.599 0.521 25693 3595 1 11 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.264 0.561 25693 3596 1 11 . 1 1 25 25 LYS H H 25 8.526 8.526 7.962 0.564 25693 3597 1 11 . 1 1 26 26 THR N N 26 114.644 114.644 112.805 1.839 25693 3598 1 11 . 1 1 26 26 THR HA H 26 5.512 5.512 5.507 0.005 25693 3599 1 11 . 1 1 26 26 THR C C 26 169.422 169.422 173.769 -4.347 25693 3600 1 11 . 1 1 26 26 THR CA C 26 60.264 60.264 59.727 0.537 25693 3601 1 11 . 1 1 26 26 THR CB C 26 72.098 72.098 70.438 1.660 25693 3602 1 11 . 1 1 26 26 THR H H 26 7.998 7.998 8.033 -0.035 25693 3603 1 11 . 1 1 27 27 TYR N N 27 122.745 122.745 125.452 -2.707 25693 3604 1 11 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.655 0.222 25693 3605 1 11 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.113 0.218 25693 3606 1 11 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.665 0.936 25693 3607 1 11 . 1 1 27 27 TYR H H 27 8.848 8.848 8.601 0.247 25693 3608 1 11 . 1 1 28 28 THR N N 28 117.167 117.167 114.799 2.368 25693 3609 1 11 . 1 1 28 28 THR HA H 28 5.005 5.005 5.627 -0.622 25693 3610 1 11 . 1 1 28 28 THR C C 28 169.027 169.027 173.993 -4.966 25693 3611 1 11 . 1 1 28 28 THR CA C 28 61.921 61.921 60.246 1.675 25693 3612 1 11 . 1 1 28 28 THR CB C 28 70.988 70.988 70.080 0.908 25693 3613 1 11 . 1 1 28 28 THR H H 28 8.532 8.532 8.348 0.184 25693 3614 1 11 . 1 1 29 29 ILE N N 29 124.474 124.474 126.693 -2.219 25693 3615 1 11 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.339 0.013 25693 3616 1 11 . 1 1 29 29 ILE C C 29 171.747 171.747 175.919 -4.172 25693 3617 1 11 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.684 -0.478 25693 3618 1 11 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.329 1.696 25693 3619 1 11 . 1 1 29 29 ILE H H 29 8.782 8.782 8.863 -0.081 25693 3620 1 11 . 1 1 30 30 THR N N 30 120.157 120.157 116.695 3.462 25693 3621 1 11 . 1 1 30 30 THR HA H 30 5.143 5.143 4.842 0.301 25693 3622 1 11 . 1 1 30 30 THR C C 30 170.054 170.054 174.019 -3.965 25693 3623 1 11 . 1 1 30 30 THR CA C 30 60.664 60.664 59.605 1.058 25693 3624 1 11 . 1 1 30 30 THR CB C 30 71.397 71.397 69.332 2.065 25693 3625 1 11 . 1 1 30 30 THR H H 30 8.475 8.475 8.545 -0.070 25693 3626 1 11 . 1 1 31 31 GLU N N 31 126.425 126.425 122.499 3.926 25693 3627 1 11 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.244 0.407 25693 3628 1 11 . 1 1 31 31 GLU C C 31 176.004 176.004 177.394 -1.390 25693 3629 1 11 . 1 1 31 31 GLU CA C 31 55.212 55.212 56.354 -1.142 25693 3630 1 11 . 1 1 31 31 GLU CB C 31 31.637 31.637 28.018 3.619 25693 3631 1 11 . 1 1 31 31 GLU H H 31 8.589 8.589 8.121 0.468 25693 3632 1 11 . 1 1 32 32 GLY N N 32 116.534 116.534 113.667 2.867 25693 3633 1 11 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.180 2.512 25693 3634 1 11 . 1 1 32 32 GLY H H 32 8.996 8.996 8.052 0.944 25693 3635 1 11 . 1 1 33 33 SER HA H 33 4.452 4.452 3.965 0.487 25693 3636 1 11 . 1 1 33 33 SER C C 33 173.267 173.267 173.223 0.044 25693 3637 1 11 . 1 1 33 33 SER CA C 33 59.715 59.715 59.343 0.372 25693 3638 1 11 . 1 1 33 33 SER CB C 33 59.715 59.715 62.232 -2.517 25693 3639 1 11 . 1 1 34 34 LEU N N 34 116.305 116.305 121.201 -4.896 25693 3640 1 11 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.834 -0.173 25693 3641 1 11 . 1 1 34 34 LEU C C 34 173.314 173.314 174.971 -1.657 25693 3642 1 11 . 1 1 34 34 LEU CA C 34 55.304 55.304 55.149 0.155 25693 3643 1 11 . 1 1 34 34 LEU CB C 34 44.132 44.132 46.545 -2.413 25693 3644 1 11 . 1 1 34 34 LEU H H 34 8.425 8.425 7.806 0.619 25693 3645 1 11 . 1 1 35 35 ARG N N 35 127.474 127.474 123.731 3.743 25693 3646 1 11 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.148 0.043 25693 3647 1 11 . 1 1 35 35 ARG C C 35 175.720 175.720 174.523 1.197 25693 3648 1 11 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.889 0.415 25693 3649 1 11 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.553 0.255 25693 3650 1 11 . 1 1 35 35 ARG H H 35 8.560 8.560 9.079 -0.519 25693 3651 1 11 . 1 1 36 36 CYS N N 36 122.335 122.335 125.430 -3.095 25693 3652 1 11 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.598 0.251 25693 3653 1 11 . 1 1 36 36 CYS CA C 36 55.839 55.839 56.966 -1.127 25693 3654 1 11 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.117 19.948 25693 3655 1 11 . 1 1 36 36 CYS H H 36 9.179 9.179 9.211 -0.032 25693 3656 1 11 . 1 1 37 37 VAL N N 37 122.327 122.327 129.462 -7.135 25693 3657 1 11 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.100 -0.347 25693 3658 1 11 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.855 0.251 25693 3659 1 11 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.207 0.952 25693 3660 1 11 . 1 1 37 37 VAL H H 37 9.308 9.308 9.039 0.269 25693 3661 1 11 . 1 1 38 38 ILE N N 38 126.295 126.295 126.808 -0.513 25693 3662 1 11 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.134 -0.286 25693 3663 1 11 . 1 1 38 38 ILE CA C 38 60.480 60.480 59.972 0.508 25693 3664 1 11 . 1 1 38 38 ILE CB C 38 40.891 40.891 39.996 0.895 25693 3665 1 11 . 1 1 38 38 ILE H H 38 9.014 9.014 8.896 0.118 25693 3666 1 11 . 1 1 39 39 PHE N N 39 124.882 124.882 127.298 -2.416 25693 3667 1 11 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.255 0.052 25693 3668 1 11 . 1 1 39 39 PHE C C 39 174.855 174.855 175.772 -0.917 25693 3669 1 11 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.438 0.060 25693 3670 1 11 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.198 1.309 25693 3671 1 11 . 1 1 39 39 PHE H H 39 9.700 9.700 9.532 0.168 25693 3672 1 11 . 1 1 40 40 ILE N N 40 124.722 124.722 127.188 -2.466 25693 3673 1 11 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.406 0.316 25693 3674 1 11 . 1 1 40 40 ILE C C 40 173.603 173.603 175.057 -1.454 25693 3675 1 11 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.263 0.473 25693 3676 1 11 . 1 1 40 40 ILE CB C 40 38.911 38.911 37.920 0.991 25693 3677 1 11 . 1 1 40 40 ILE H H 40 9.313 9.313 9.153 0.160 25693 3678 1 11 . 1 1 41 41 THR N N 41 116.571 116.571 118.121 -1.550 25693 3679 1 11 . 1 1 41 41 THR HA H 41 4.988 4.988 4.828 0.160 25693 3680 1 11 . 1 1 41 41 THR C C 41 171.363 171.363 175.067 -3.704 25693 3681 1 11 . 1 1 41 41 THR CA C 41 59.776 59.776 59.612 0.164 25693 3682 1 11 . 1 1 41 41 THR CB C 41 72.930 72.930 72.235 0.695 25693 3683 1 11 . 1 1 41 41 THR H H 41 8.593 8.593 8.979 -0.386 25693 3684 1 11 . 1 1 42 42 LYS N N 42 116.228 116.228 121.030 -4.802 25693 3685 1 11 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.578 -0.171 25693 3686 1 11 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.611 1.889 25693 3687 1 11 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.583 1.750 25693 3688 1 11 . 1 1 42 42 LYS H H 42 8.597 8.597 8.789 -0.192 25693 3689 1 11 . 1 1 43 43 ARG N N 43 113.916 113.916 117.802 -3.886 25693 3690 1 11 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.631 0.020 25693 3691 1 11 . 1 1 43 43 ARG C C 43 176.160 176.160 175.206 0.954 25693 3692 1 11 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.400 -0.188 25693 3693 1 11 . 1 1 43 43 ARG CB C 43 31.550 31.550 31.795 -0.245 25693 3694 1 11 . 1 1 43 43 ARG H H 43 7.753 7.753 7.575 0.178 25693 3695 1 11 . 1 1 44 44 GLY N N 44 107.712 107.712 106.433 1.279 25693 3696 1 11 . 1 1 44 44 GLY C C 44 163.798 163.798 171.882 -8.084 25693 3697 1 11 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.502 0.620 25693 3698 1 11 . 1 1 44 44 GLY H H 44 7.498 7.498 7.642 -0.144 25693 3699 1 11 . 1 1 45 45 LEU N N 45 120.948 120.948 120.340 0.608 25693 3700 1 11 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.546 -0.015 25693 3701 1 11 . 1 1 45 45 LEU C C 45 175.801 175.801 175.084 0.717 25693 3702 1 11 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.176 0.025 25693 3703 1 11 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.934 0.512 25693 3704 1 11 . 1 1 45 45 LEU H H 45 8.374 8.374 8.457 -0.083 25693 3705 1 11 . 1 1 46 46 LYS N N 46 124.968 124.968 123.981 0.987 25693 3706 1 11 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.184 0.149 25693 3707 1 11 . 1 1 46 46 LYS C C 46 171.169 171.169 174.980 -3.811 25693 3708 1 11 . 1 1 46 46 LYS CA C 46 55.855 55.855 54.904 0.951 25693 3709 1 11 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.334 1.412 25693 3710 1 11 . 1 1 46 46 LYS H H 46 9.115 9.115 8.983 0.132 25693 3711 1 11 . 1 1 47 47 VAL N N 47 126.006 126.006 122.636 3.370 25693 3712 1 11 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.190 0.063 25693 3713 1 11 . 1 1 47 47 VAL C C 47 173.892 173.892 173.680 0.212 25693 3714 1 11 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.381 1.559 25693 3715 1 11 . 1 1 47 47 VAL CB C 47 34.851 34.851 32.359 2.492 25693 3716 1 11 . 1 1 47 47 VAL H H 47 9.221 9.221 9.085 0.136 25693 3717 1 11 . 1 1 48 48 CYS N N 48 123.279 123.279 127.508 -4.229 25693 3718 1 11 . 1 1 48 48 CYS HA H 48 6.040 6.040 4.960 1.080 25693 3719 1 11 . 1 1 48 48 CYS C C 48 172.554 172.554 174.291 -1.737 25693 3720 1 11 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.095 -2.914 25693 3721 1 11 . 1 1 48 48 CYS CB C 48 48.662 48.662 27.307 21.355 25693 3722 1 11 . 1 1 48 48 CYS H H 48 9.201 9.201 9.206 -0.005 25693 3723 1 11 . 1 1 49 49 CYS N N 49 119.872 119.872 128.083 -8.211 25693 3724 1 11 . 1 1 49 49 CYS HA H 49 5.679 5.679 4.770 0.909 25693 3725 1 11 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.838 -2.624 25693 3726 1 11 . 1 1 49 49 CYS CB C 49 48.015 48.015 27.711 20.304 25693 3727 1 11 . 1 1 49 49 CYS H H 49 9.117 9.117 8.931 0.186 25693 3728 1 11 . 1 1 50 50 ASP N N 50 123.093 123.093 124.825 -1.732 25693 3729 1 11 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.106 0.056 25693 3730 1 11 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.191 1.678 25693 3731 1 11 . 1 1 50 50 ASP CB C 50 42.838 42.838 43.312 -0.474 25693 3732 1 11 . 1 1 50 50 ASP H H 50 8.837 8.837 8.911 -0.074 25693 3733 1 11 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.661 0.064 25693 3734 1 11 . 1 1 51 51 PRO C C 51 178.489 178.489 177.567 0.922 25693 3735 1 11 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.975 -0.400 25693 3736 1 11 . 1 1 51 51 PRO CB C 51 32.550 32.550 32.916 -0.366 25693 3737 1 11 . 1 1 52 52 GLN N N 52 120.594 120.594 115.955 4.639 25693 3738 1 11 . 1 1 52 52 GLN HA H 52 4.368 4.368 3.891 0.477 25693 3739 1 11 . 1 1 52 52 GLN C C 52 175.779 175.779 177.047 -1.268 25693 3740 1 11 . 1 1 52 52 GLN CA C 52 56.155 56.155 58.401 -2.246 25693 3741 1 11 . 1 1 52 52 GLN CB C 52 30.069 30.069 27.264 2.805 25693 3742 1 11 . 1 1 52 52 GLN H H 52 8.504 8.504 8.381 0.123 25693 3743 1 11 . 1 1 53 53 ALA N N 53 124.936 124.936 120.527 4.409 25693 3744 1 11 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.055 0.287 25693 3745 1 11 . 1 1 53 53 ALA CA C 53 53.214 53.214 54.532 -1.318 25693 3746 1 11 . 1 1 53 53 ALA CB C 53 19.978 19.978 17.780 2.198 25693 3747 1 11 . 1 1 53 53 ALA H H 53 8.290 8.290 8.710 -0.420 25693 3748 1 11 . 1 1 54 54 THR N N 54 112.200 112.200 116.364 -4.164 25693 3749 1 11 . 1 1 54 54 THR HA H 54 4.318 4.318 4.533 -0.215 25693 3750 1 11 . 1 1 54 54 THR CA C 54 62.594 62.594 62.056 0.538 25693 3751 1 11 . 1 1 54 54 THR CB C 54 70.341 70.341 68.965 1.377 25693 3752 1 11 . 1 1 54 54 THR H H 54 8.011 8.011 8.409 -0.398 25693 3753 1 11 . 1 1 55 55 TRP N N 55 122.937 122.937 124.722 -1.785 25693 3754 1 11 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.842 -0.039 25693 3755 1 11 . 1 1 55 55 TRP C C 55 176.602 176.602 175.034 1.568 25693 3756 1 11 . 1 1 55 55 TRP CA C 55 57.651 57.651 56.715 0.936 25693 3757 1 11 . 1 1 55 55 TRP CB C 55 30.105 30.105 29.246 0.859 25693 3758 1 11 . 1 1 55 55 TRP H H 55 7.979 7.979 7.712 0.267 25693 3759 1 11 . 1 1 56 56 VAL N N 56 121.829 121.829 121.828 0.001 25693 3760 1 11 . 1 1 56 56 VAL HA H 56 4.031 4.031 3.497 0.534 25693 3761 1 11 . 1 1 56 56 VAL C C 56 175.779 175.779 175.881 -0.102 25693 3762 1 11 . 1 1 56 56 VAL CA C 56 63.060 63.060 63.507 -0.447 25693 3763 1 11 . 1 1 56 56 VAL CB C 56 33.012 33.012 32.155 0.857 25693 3764 1 11 . 1 1 56 56 VAL H H 56 7.817 7.817 7.327 0.490 25693 3765 1 11 . 1 1 57 57 ARG N N 57 123.817 123.817 126.199 -2.382 25693 3766 1 11 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.446 -0.141 25693 3767 1 11 . 1 1 57 57 ARG C C 57 176.484 176.484 175.593 0.891 25693 3768 1 11 . 1 1 57 57 ARG CA C 57 56.741 56.741 56.081 0.660 25693 3769 1 11 . 1 1 57 57 ARG CB C 57 31.502 31.502 31.242 0.260 25693 3770 1 11 . 1 1 57 57 ARG H H 57 8.087 8.087 8.667 -0.580 25693 3771 1 11 . 1 1 58 58 ASP N N 58 121.452 121.452 118.711 2.741 25693 3772 1 11 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.818 -0.101 25693 3773 1 11 . 1 1 58 58 ASP C C 58 177.508 177.508 175.711 1.797 25693 3774 1 11 . 1 1 58 58 ASP CA C 58 54.966 54.966 53.072 1.894 25693 3775 1 11 . 1 1 58 58 ASP CB C 58 42.021 42.021 43.447 -1.426 25693 3776 1 11 . 1 1 58 58 ASP H H 58 8.240 8.240 8.039 0.201 25693 3777 1 11 . 1 1 59 59 VAL N N 59 120.104 120.104 119.089 1.015 25693 3778 1 11 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.222 -0.055 25693 3779 1 11 . 1 1 59 59 VAL C C 59 177.636 177.636 175.579 2.057 25693 3780 1 11 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.164 0.982 25693 3781 1 11 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.404 0.973 25693 3782 1 11 . 1 1 59 59 VAL H H 59 8.059 8.059 8.298 -0.239 25693 3783 1 11 . 1 1 60 60 VAL N N 60 123.394 123.394 119.433 3.961 25693 3784 1 11 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.926 0.217 25693 3785 1 11 . 1 1 60 60 VAL C C 60 177.956 177.956 175.062 2.894 25693 3786 1 11 . 1 1 60 60 VAL CA C 60 63.452 63.452 63.179 0.273 25693 3787 1 11 . 1 1 60 60 VAL CB C 60 33.012 33.012 29.308 3.704 25693 3788 1 11 . 1 1 60 60 VAL H H 60 8.115 8.115 8.340 -0.225 25693 3789 1 11 . 1 1 61 61 ARG N N 61 124.402 124.402 127.255 -2.853 25693 3790 1 11 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.491 0.142 25693 3791 1 11 . 1 1 61 61 ARG C C 61 177.786 177.786 175.860 1.926 25693 3792 1 11 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.703 1.010 25693 3793 1 11 . 1 1 61 61 ARG CB C 61 31.306 31.306 28.904 2.402 25693 3794 1 11 . 1 1 61 61 ARG H H 61 8.350 8.350 8.509 -0.159 25693 3795 1 11 . 1 1 62 62 SER N N 62 121.629 121.629 117.776 3.853 25693 3796 1 11 . 1 1 62 62 SER HA H 62 4.579 4.579 4.502 0.077 25693 3797 1 11 . 1 1 62 62 SER C C 62 177.687 177.687 174.114 3.573 25693 3798 1 11 . 1 1 62 62 SER CA C 62 56.270 56.270 57.977 -1.707 25693 3799 1 11 . 1 1 62 62 SER CB C 62 70.537 70.537 64.539 5.998 25693 3800 1 11 . 1 1 62 62 SER H H 62 8.253 8.253 8.634 -0.381 25693 3801 1 11 . 1 1 63 63 MET N N 63 121.452 121.452 122.588 -1.136 25693 3802 1 11 . 1 1 63 63 MET HA H 63 4.706 4.706 4.262 0.444 25693 3803 1 11 . 1 1 63 63 MET C C 63 177.252 177.252 173.655 3.597 25693 3804 1 11 . 1 1 63 63 MET CA C 63 54.861 54.861 56.158 -1.298 25693 3805 1 11 . 1 1 63 63 MET CB C 63 31.514 31.514 31.739 -0.225 25693 3806 1 11 . 1 1 63 63 MET H H 63 8.245 8.245 8.251 -0.006 25693 3807 1 11 . 1 1 64 64 ASP N N 64 120.811 120.811 124.780 -3.969 25693 3808 1 11 . 1 1 64 64 ASP C C 64 177.786 177.786 175.365 2.421 25693 3809 1 11 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.770 2.699 25693 3810 1 11 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.537 -9.160 25693 3811 1 11 . 1 1 64 64 ASP H H 64 8.251 8.251 8.392 -0.141 25693 3812 1 11 . 1 1 65 65 ARG N N 65 120.563 120.563 122.274 -1.711 25693 3813 1 11 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.770 -0.301 25693 3814 1 11 . 1 1 65 65 ARG C C 65 179.397 179.397 175.742 3.655 25693 3815 1 11 . 1 1 65 65 ARG CA C 65 57.080 57.080 55.699 1.381 25693 3816 1 11 . 1 1 65 65 ARG CB C 65 33.510 33.510 32.728 0.782 25693 3817 1 11 . 1 1 65 65 ARG H H 65 8.145 8.145 8.543 -0.398 25693 3818 1 12 . 1 1 2 2 GLY C C 2 176.333 176.333 173.675 2.658 25693 3819 1 12 . 1 1 2 2 GLY CA C 2 52.881 52.881 45.141 7.740 25693 3820 1 12 . 1 1 3 3 SER N N 3 119.606 119.606 117.232 2.374 25693 3821 1 12 . 1 1 3 3 SER C C 3 171.619 171.619 173.922 -2.303 25693 3822 1 12 . 1 1 3 3 SER CA C 3 62.684 62.684 57.984 4.700 25693 3823 1 12 . 1 1 3 3 SER CB C 3 62.684 62.684 63.640 -0.956 25693 3824 1 12 . 1 1 3 3 SER H H 3 8.031 8.031 8.046 -0.015 25693 3825 1 12 . 1 1 4 4 GLU N N 4 122.937 122.937 127.152 -4.215 25693 3826 1 12 . 1 1 4 4 GLU C C 4 178.452 178.452 176.227 2.225 25693 3827 1 12 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.044 1.343 25693 3828 1 12 . 1 1 4 4 GLU CB C 4 30.575 30.575 28.958 1.617 25693 3829 1 12 . 1 1 4 4 GLU H H 4 7.979 7.979 8.702 -0.723 25693 3830 1 12 . 1 1 5 5 VAL N N 5 120.522 120.522 120.133 0.389 25693 3831 1 12 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.373 -0.104 25693 3832 1 12 . 1 1 5 5 VAL CA C 5 62.840 62.840 60.783 2.057 25693 3833 1 12 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.791 0.403 25693 3834 1 12 . 1 1 5 5 VAL H H 5 8.185 8.185 7.797 0.388 25693 3835 1 12 . 1 1 6 6 SER N N 6 119.109 119.109 117.397 1.712 25693 3836 1 12 . 1 1 6 6 SER HA H 6 4.560 4.560 4.641 -0.081 25693 3837 1 12 . 1 1 6 6 SER CA C 6 58.826 58.826 58.446 0.380 25693 3838 1 12 . 1 1 6 6 SER CB C 6 64.865 64.865 63.694 1.171 25693 3839 1 12 . 1 1 6 6 SER H H 6 8.340 8.340 8.219 0.121 25693 3840 1 12 . 1 1 7 7 ASP N N 7 122.786 122.786 121.916 0.870 25693 3841 1 12 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.673 0.033 25693 3842 1 12 . 1 1 7 7 ASP C C 7 177.572 177.572 175.432 2.140 25693 3843 1 12 . 1 1 7 7 ASP CA C 7 54.936 54.936 53.364 1.572 25693 3844 1 12 . 1 1 7 7 ASP CB C 7 41.984 41.984 42.979 -0.995 25693 3845 1 12 . 1 1 7 7 ASP H H 7 8.347 8.347 8.423 -0.076 25693 3846 1 12 . 1 1 8 8 LYS N N 8 119.939 119.939 122.542 -2.603 25693 3847 1 12 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.196 0.211 25693 3848 1 12 . 1 1 8 8 LYS C C 8 178.323 178.323 176.665 1.658 25693 3849 1 12 . 1 1 8 8 LYS CA C 8 56.844 56.844 56.601 0.243 25693 3850 1 12 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.019 -1.943 25693 3851 1 12 . 1 1 8 8 LYS H H 8 8.060 8.060 8.372 -0.312 25693 3852 1 12 . 1 1 9 9 ARG N N 9 121.813 121.813 124.238 -2.425 25693 3853 1 12 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.156 0.313 25693 3854 1 12 . 1 1 9 9 ARG C C 9 178.148 178.148 175.996 2.152 25693 3855 1 12 . 1 1 9 9 ARG CA C 9 56.779 56.779 57.058 -0.279 25693 3856 1 12 . 1 1 9 9 ARG CB C 9 31.062 31.062 30.383 0.679 25693 3857 1 12 . 1 1 9 9 ARG H H 9 8.352 8.352 8.337 0.015 25693 3858 1 12 . 1 1 10 10 THR N N 10 116.680 116.680 119.252 -2.572 25693 3859 1 12 . 1 1 10 10 THR HA H 10 4.487 4.487 4.453 0.034 25693 3860 1 12 . 1 1 10 10 THR CA C 10 59.286 59.286 61.788 -2.502 25693 3861 1 12 . 1 1 10 10 THR CB C 10 64.412 64.412 68.965 -4.553 25693 3862 1 12 . 1 1 10 10 THR H H 10 8.263 8.263 8.327 -0.064 25693 3863 1 12 . 1 1 11 11 CYS N N 11 124.443 124.443 125.748 -1.305 25693 3864 1 12 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.917 1.375 25693 3865 1 12 . 1 1 11 11 CYS C C 11 169.873 169.873 174.205 -4.332 25693 3866 1 12 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.611 -2.001 25693 3867 1 12 . 1 1 11 11 CYS CB C 11 44.241 44.241 29.596 14.645 25693 3868 1 12 . 1 1 11 11 CYS H H 11 8.166 8.166 8.641 -0.475 25693 3869 1 12 . 1 1 12 12 VAL N N 12 118.379 118.379 120.267 -1.888 25693 3870 1 12 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.631 0.082 25693 3871 1 12 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.523 0.447 25693 3872 1 12 . 1 1 12 12 VAL CB C 12 35.720 35.720 35.207 0.513 25693 3873 1 12 . 1 1 12 12 VAL H H 12 9.190 9.190 9.134 0.056 25693 3874 1 12 . 1 1 13 13 SER N N 13 118.231 118.231 117.733 0.498 25693 3875 1 12 . 1 1 13 13 SER HA H 13 5.457 5.457 5.223 0.234 25693 3876 1 12 . 1 1 13 13 SER CA C 13 57.815 57.815 56.968 0.847 25693 3877 1 12 . 1 1 13 13 SER CB C 13 66.744 66.744 64.898 1.846 25693 3878 1 12 . 1 1 13 13 SER H H 13 8.477 8.477 8.181 0.296 25693 3879 1 12 . 1 1 14 14 LEU N N 14 125.590 125.590 126.536 -0.946 25693 3880 1 12 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.756 0.060 25693 3881 1 12 . 1 1 14 14 LEU C C 14 176.497 176.497 176.422 0.075 25693 3882 1 12 . 1 1 14 14 LEU CA C 14 55.068 55.068 53.833 1.235 25693 3883 1 12 . 1 1 14 14 LEU CB C 14 45.750 45.750 44.301 1.449 25693 3884 1 12 . 1 1 14 14 LEU H H 14 9.031 9.031 9.251 -0.220 25693 3885 1 12 . 1 1 15 15 THR N N 15 121.083 121.083 115.285 5.798 25693 3886 1 12 . 1 1 15 15 THR HA H 15 4.870 4.870 4.811 0.059 25693 3887 1 12 . 1 1 15 15 THR C C 15 171.445 171.445 174.081 -2.636 25693 3888 1 12 . 1 1 15 15 THR CA C 15 62.607 62.607 60.853 1.754 25693 3889 1 12 . 1 1 15 15 THR CB C 15 70.127 70.127 69.751 0.375 25693 3890 1 12 . 1 1 15 15 THR H H 15 8.684 8.684 8.394 0.290 25693 3891 1 12 . 1 1 16 16 THR N N 16 117.142 117.142 117.406 -0.264 25693 3892 1 12 . 1 1 16 16 THR HA H 16 4.724 4.724 4.538 0.186 25693 3893 1 12 . 1 1 16 16 THR CA C 16 61.091 61.091 60.146 0.945 25693 3894 1 12 . 1 1 16 16 THR CB C 16 71.260 71.260 69.709 1.551 25693 3895 1 12 . 1 1 16 16 THR H H 16 8.114 8.114 8.425 -0.311 25693 3896 1 12 . 1 1 17 17 GLN N N 17 119.423 119.423 121.335 -1.912 25693 3897 1 12 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.164 0.333 25693 3898 1 12 . 1 1 17 17 GLN CA C 17 56.561 56.561 56.652 -0.091 25693 3899 1 12 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.086 0.758 25693 3900 1 12 . 1 1 17 17 GLN H H 17 8.260 8.260 8.403 -0.143 25693 3901 1 12 . 1 1 18 18 ARG N N 18 119.630 119.630 121.989 -2.359 25693 3902 1 12 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.362 0.145 25693 3903 1 12 . 1 1 18 18 ARG C C 18 177.434 177.434 175.126 2.308 25693 3904 1 12 . 1 1 18 18 ARG CA C 18 57.111 57.111 56.146 0.965 25693 3905 1 12 . 1 1 18 18 ARG CB C 18 30.895 30.895 29.655 1.240 25693 3906 1 12 . 1 1 18 18 ARG H H 18 8.190 8.190 8.585 -0.395 25693 3907 1 12 . 1 1 19 19 LEU N N 19 125.797 125.797 127.454 -1.657 25693 3908 1 12 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.283 0.958 25693 3909 1 12 . 1 1 19 19 LEU CB C 19 43.403 43.403 44.250 -0.847 25693 3910 1 12 . 1 1 19 19 LEU H H 19 8.674 8.674 8.038 0.636 25693 3911 1 12 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.470 0.318 25693 3912 1 12 . 1 1 20 20 PRO C C 20 177.352 177.352 175.831 1.521 25693 3913 1 12 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.803 0.343 25693 3914 1 12 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.910 -2.417 25693 3915 1 12 . 1 1 21 21 VAL N N 21 119.308 119.308 117.958 1.350 25693 3916 1 12 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.497 -0.359 25693 3917 1 12 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.960 0.348 25693 3918 1 12 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.334 0.294 25693 3919 1 12 . 1 1 21 21 VAL H H 21 7.850 7.850 8.035 -0.185 25693 3920 1 12 . 1 1 22 22 SER N N 22 121.709 121.709 122.512 -0.803 25693 3921 1 12 . 1 1 22 22 SER HA H 22 4.589 4.589 4.488 0.101 25693 3922 1 12 . 1 1 22 22 SER C C 22 170.922 170.922 173.452 -2.530 25693 3923 1 12 . 1 1 22 22 SER CA C 22 59.316 59.316 58.451 0.865 25693 3924 1 12 . 1 1 22 22 SER CB C 22 64.576 64.576 63.062 1.514 25693 3925 1 12 . 1 1 22 22 SER H H 22 8.671 8.671 8.694 -0.023 25693 3926 1 12 . 1 1 23 23 ARG N N 23 120.473 120.473 124.476 -4.003 25693 3927 1 12 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.056 0.523 25693 3928 1 12 . 1 1 23 23 ARG C C 23 171.215 171.215 174.663 -3.448 25693 3929 1 12 . 1 1 23 23 ARG CA C 23 55.396 55.396 56.807 -1.411 25693 3930 1 12 . 1 1 23 23 ARG CB C 23 32.391 32.391 30.175 2.216 25693 3931 1 12 . 1 1 23 23 ARG H H 23 7.828 7.828 7.950 -0.122 25693 3932 1 12 . 1 1 24 24 ILE N N 24 120.563 120.563 122.855 -2.292 25693 3933 1 12 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.527 -0.092 25693 3934 1 12 . 1 1 24 24 ILE C C 24 176.100 176.100 176.760 -0.660 25693 3935 1 12 . 1 1 24 24 ILE CA C 24 62.503 62.503 60.596 1.907 25693 3936 1 12 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.416 3.093 25693 3937 1 12 . 1 1 24 24 ILE H H 24 8.085 8.085 8.463 -0.378 25693 3938 1 12 . 1 1 25 25 LYS N N 25 127.474 127.474 128.610 -1.136 25693 3939 1 12 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.755 0.016 25693 3940 1 12 . 1 1 25 25 LYS C C 25 173.336 173.336 175.246 -1.910 25693 3941 1 12 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.797 0.323 25693 3942 1 12 . 1 1 25 25 LYS CB C 25 35.825 35.825 34.672 1.153 25693 3943 1 12 . 1 1 25 25 LYS H H 25 8.526 8.526 8.275 0.251 25693 3944 1 12 . 1 1 26 26 THR N N 26 114.644 114.644 112.576 2.068 25693 3945 1 12 . 1 1 26 26 THR HA H 26 5.512 5.512 5.579 -0.067 25693 3946 1 12 . 1 1 26 26 THR C C 26 169.422 169.422 173.696 -4.274 25693 3947 1 12 . 1 1 26 26 THR CA C 26 60.264 60.264 60.078 0.186 25693 3948 1 12 . 1 1 26 26 THR CB C 26 72.098 72.098 70.400 1.698 25693 3949 1 12 . 1 1 26 26 THR H H 26 7.998 7.998 8.067 -0.069 25693 3950 1 12 . 1 1 27 27 TYR N N 27 122.745 122.745 125.853 -3.108 25693 3951 1 12 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.644 0.233 25693 3952 1 12 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.153 0.178 25693 3953 1 12 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.178 1.423 25693 3954 1 12 . 1 1 27 27 TYR H H 27 8.848 8.848 8.877 -0.029 25693 3955 1 12 . 1 1 28 28 THR N N 28 117.167 117.167 119.849 -2.682 25693 3956 1 12 . 1 1 28 28 THR HA H 28 5.005 5.005 5.301 -0.296 25693 3957 1 12 . 1 1 28 28 THR C C 28 169.027 169.027 173.794 -4.767 25693 3958 1 12 . 1 1 28 28 THR CA C 28 61.921 61.921 61.442 0.479 25693 3959 1 12 . 1 1 28 28 THR CB C 28 70.988 70.988 69.964 1.024 25693 3960 1 12 . 1 1 28 28 THR H H 28 8.532 8.532 8.468 0.064 25693 3961 1 12 . 1 1 29 29 ILE N N 29 124.474 124.474 128.320 -3.846 25693 3962 1 12 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.314 0.038 25693 3963 1 12 . 1 1 29 29 ILE C C 29 171.747 171.747 175.157 -3.410 25693 3964 1 12 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.476 -0.271 25693 3965 1 12 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.535 1.490 25693 3966 1 12 . 1 1 29 29 ILE H H 29 8.782 8.782 9.125 -0.343 25693 3967 1 12 . 1 1 30 30 THR N N 30 120.157 120.157 119.350 0.807 25693 3968 1 12 . 1 1 30 30 THR HA H 30 5.143 5.143 5.193 -0.050 25693 3969 1 12 . 1 1 30 30 THR C C 30 170.054 170.054 174.320 -4.266 25693 3970 1 12 . 1 1 30 30 THR CA C 30 60.664 60.664 60.028 0.636 25693 3971 1 12 . 1 1 30 30 THR CB C 30 71.397 71.397 69.056 2.341 25693 3972 1 12 . 1 1 30 30 THR H H 30 8.475 8.475 8.600 -0.125 25693 3973 1 12 . 1 1 31 31 GLU N N 31 126.425 126.425 125.389 1.036 25693 3974 1 12 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.521 0.130 25693 3975 1 12 . 1 1 31 31 GLU C C 31 176.004 176.004 176.623 -0.619 25693 3976 1 12 . 1 1 31 31 GLU CA C 31 55.212 55.212 54.706 0.506 25693 3977 1 12 . 1 1 31 31 GLU CB C 31 31.637 31.637 29.150 2.487 25693 3978 1 12 . 1 1 31 31 GLU H H 31 8.589 8.589 8.198 0.391 25693 3979 1 12 . 1 1 32 32 GLY N N 32 116.534 116.534 113.975 2.559 25693 3980 1 12 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.573 2.119 25693 3981 1 12 . 1 1 32 32 GLY H H 32 8.996 8.996 8.575 0.421 25693 3982 1 12 . 1 1 33 33 SER HA H 33 4.452 4.452 4.048 0.404 25693 3983 1 12 . 1 1 33 33 SER C C 33 173.267 173.267 173.201 0.066 25693 3984 1 12 . 1 1 33 33 SER CA C 33 59.715 59.715 59.793 -0.078 25693 3985 1 12 . 1 1 33 33 SER CB C 33 59.715 59.715 62.914 -3.199 25693 3986 1 12 . 1 1 34 34 LEU N N 34 116.305 116.305 120.986 -4.681 25693 3987 1 12 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.549 0.112 25693 3988 1 12 . 1 1 34 34 LEU C C 34 173.314 173.314 174.902 -1.588 25693 3989 1 12 . 1 1 34 34 LEU CA C 34 55.304 55.304 53.905 1.399 25693 3990 1 12 . 1 1 34 34 LEU CB C 34 44.132 44.132 43.931 0.201 25693 3991 1 12 . 1 1 34 34 LEU H H 34 8.425 8.425 7.623 0.802 25693 3992 1 12 . 1 1 35 35 ARG N N 35 127.474 127.474 125.695 1.779 25693 3993 1 12 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.420 -0.229 25693 3994 1 12 . 1 1 35 35 ARG C C 35 175.720 175.720 174.680 1.040 25693 3995 1 12 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.498 0.806 25693 3996 1 12 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.987 -0.180 25693 3997 1 12 . 1 1 35 35 ARG H H 35 8.560 8.560 9.260 -0.700 25693 3998 1 12 . 1 1 36 36 CYS N N 36 122.335 122.335 122.604 -0.269 25693 3999 1 12 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.544 0.305 25693 4000 1 12 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.702 -1.863 25693 4001 1 12 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.887 19.178 25693 4002 1 12 . 1 1 36 36 CYS H H 36 9.179 9.179 9.026 0.153 25693 4003 1 12 . 1 1 37 37 VAL N N 37 122.327 122.327 128.490 -6.163 25693 4004 1 12 . 1 1 37 37 VAL HA H 37 4.753 4.753 4.998 -0.245 25693 4005 1 12 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.902 0.204 25693 4006 1 12 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.335 0.824 25693 4007 1 12 . 1 1 37 37 VAL H H 37 9.308 9.308 9.012 0.296 25693 4008 1 12 . 1 1 38 38 ILE N N 38 126.295 126.295 126.476 -0.181 25693 4009 1 12 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.106 -0.258 25693 4010 1 12 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.014 0.466 25693 4011 1 12 . 1 1 38 38 ILE CB C 38 40.891 40.891 39.916 0.975 25693 4012 1 12 . 1 1 38 38 ILE H H 38 9.014 9.014 8.956 0.058 25693 4013 1 12 . 1 1 39 39 PHE N N 39 124.882 124.882 127.186 -2.304 25693 4014 1 12 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.238 0.069 25693 4015 1 12 . 1 1 39 39 PHE C C 39 174.855 174.855 175.616 -0.761 25693 4016 1 12 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.334 0.164 25693 4017 1 12 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.164 1.343 25693 4018 1 12 . 1 1 39 39 PHE H H 39 9.700 9.700 9.663 0.037 25693 4019 1 12 . 1 1 40 40 ILE N N 40 124.722 124.722 126.844 -2.122 25693 4020 1 12 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.427 0.295 25693 4021 1 12 . 1 1 40 40 ILE C C 40 173.603 173.603 175.541 -1.938 25693 4022 1 12 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.278 0.458 25693 4023 1 12 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.151 0.760 25693 4024 1 12 . 1 1 40 40 ILE H H 40 9.313 9.313 9.286 0.027 25693 4025 1 12 . 1 1 41 41 THR N N 41 116.571 116.571 118.531 -1.960 25693 4026 1 12 . 1 1 41 41 THR HA H 41 4.988 4.988 4.798 0.190 25693 4027 1 12 . 1 1 41 41 THR C C 41 171.363 171.363 175.361 -3.998 25693 4028 1 12 . 1 1 41 41 THR CA C 41 59.776 59.776 59.731 0.045 25693 4029 1 12 . 1 1 41 41 THR CB C 41 72.930 72.930 71.724 1.206 25693 4030 1 12 . 1 1 41 41 THR H H 41 8.593 8.593 9.133 -0.540 25693 4031 1 12 . 1 1 42 42 LYS N N 42 116.228 116.228 121.279 -5.051 25693 4032 1 12 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.203 0.204 25693 4033 1 12 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.951 1.549 25693 4034 1 12 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.242 2.091 25693 4035 1 12 . 1 1 42 42 LYS H H 42 8.597 8.597 8.818 -0.221 25693 4036 1 12 . 1 1 43 43 ARG N N 43 113.916 113.916 116.316 -2.400 25693 4037 1 12 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.618 0.033 25693 4038 1 12 . 1 1 43 43 ARG C C 43 176.160 176.160 175.006 1.154 25693 4039 1 12 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.383 -0.171 25693 4040 1 12 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.532 -0.982 25693 4041 1 12 . 1 1 43 43 ARG H H 43 7.753 7.753 7.453 0.300 25693 4042 1 12 . 1 1 44 44 GLY N N 44 107.712 107.712 106.874 0.838 25693 4043 1 12 . 1 1 44 44 GLY C C 44 163.798 163.798 171.855 -8.057 25693 4044 1 12 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.823 0.299 25693 4045 1 12 . 1 1 44 44 GLY H H 44 7.498 7.498 7.737 -0.239 25693 4046 1 12 . 1 1 45 45 LEU N N 45 120.948 120.948 120.348 0.600 25693 4047 1 12 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.382 0.149 25693 4048 1 12 . 1 1 45 45 LEU C C 45 175.801 175.801 175.166 0.635 25693 4049 1 12 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.001 0.200 25693 4050 1 12 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.548 0.898 25693 4051 1 12 . 1 1 45 45 LEU H H 45 8.374 8.374 8.988 -0.614 25693 4052 1 12 . 1 1 46 46 LYS N N 46 124.968 124.968 124.506 0.462 25693 4053 1 12 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.375 -0.042 25693 4054 1 12 . 1 1 46 46 LYS C C 46 171.169 171.169 175.108 -3.939 25693 4055 1 12 . 1 1 46 46 LYS CA C 46 55.855 55.855 54.792 1.063 25693 4056 1 12 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.066 1.680 25693 4057 1 12 . 1 1 46 46 LYS H H 46 9.115 9.115 9.347 -0.232 25693 4058 1 12 . 1 1 47 47 VAL N N 47 126.006 126.006 121.757 4.249 25693 4059 1 12 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.378 -0.125 25693 4060 1 12 . 1 1 47 47 VAL C C 47 173.892 173.892 173.892 0.000 25693 4061 1 12 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.862 1.078 25693 4062 1 12 . 1 1 47 47 VAL CB C 47 34.851 34.851 34.485 0.366 25693 4063 1 12 . 1 1 47 47 VAL H H 47 9.221 9.221 8.987 0.234 25693 4064 1 12 . 1 1 48 48 CYS N N 48 123.279 123.279 125.922 -2.643 25693 4065 1 12 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.042 0.998 25693 4066 1 12 . 1 1 48 48 CYS C C 48 172.554 172.554 174.305 -1.751 25693 4067 1 12 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.528 -3.347 25693 4068 1 12 . 1 1 48 48 CYS CB C 48 48.662 48.662 27.823 20.839 25693 4069 1 12 . 1 1 48 48 CYS H H 48 9.201 9.201 8.850 0.351 25693 4070 1 12 . 1 1 49 49 CYS N N 49 119.872 119.872 128.197 -8.325 25693 4071 1 12 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.302 0.377 25693 4072 1 12 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.729 -2.515 25693 4073 1 12 . 1 1 49 49 CYS CB C 49 48.015 48.015 27.761 20.254 25693 4074 1 12 . 1 1 49 49 CYS H H 49 9.117 9.117 8.847 0.270 25693 4075 1 12 . 1 1 50 50 ASP N N 50 123.093 123.093 124.642 -1.549 25693 4076 1 12 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.150 0.012 25693 4077 1 12 . 1 1 50 50 ASP CA C 50 52.869 52.869 52.161 0.708 25693 4078 1 12 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.639 -1.802 25693 4079 1 12 . 1 1 50 50 ASP H H 50 8.837 8.837 9.325 -0.488 25693 4080 1 12 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.657 0.068 25693 4081 1 12 . 1 1 51 51 PRO C C 51 178.489 178.489 176.202 2.287 25693 4082 1 12 . 1 1 51 51 PRO CA C 51 63.575 63.575 62.848 0.727 25693 4083 1 12 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.183 1.367 25693 4084 1 12 . 1 1 52 52 GLN N N 52 120.594 120.594 112.458 8.136 25693 4085 1 12 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.122 0.246 25693 4086 1 12 . 1 1 52 52 GLN C C 52 175.779 175.779 176.178 -0.399 25693 4087 1 12 . 1 1 52 52 GLN CA C 52 56.155 56.155 57.195 -1.040 25693 4088 1 12 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.205 3.864 25693 4089 1 12 . 1 1 52 52 GLN H H 52 8.504 8.504 8.281 0.223 25693 4090 1 12 . 1 1 53 53 ALA N N 53 124.936 124.936 122.417 2.519 25693 4091 1 12 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.379 -0.037 25693 4092 1 12 . 1 1 53 53 ALA CA C 53 53.214 53.214 54.706 -1.492 25693 4093 1 12 . 1 1 53 53 ALA CB C 53 19.978 19.978 18.832 1.146 25693 4094 1 12 . 1 1 53 53 ALA H H 53 8.290 8.290 8.496 -0.206 25693 4095 1 12 . 1 1 54 54 THR N N 54 112.200 112.200 112.682 -0.482 25693 4096 1 12 . 1 1 54 54 THR HA H 54 4.318 4.318 4.374 -0.056 25693 4097 1 12 . 1 1 54 54 THR CA C 54 62.594 62.594 63.000 -0.406 25693 4098 1 12 . 1 1 54 54 THR CB C 54 70.341 70.341 69.047 1.294 25693 4099 1 12 . 1 1 54 54 THR H H 54 8.011 8.011 8.608 -0.597 25693 4100 1 12 . 1 1 55 55 TRP N N 55 122.937 122.937 122.014 0.923 25693 4101 1 12 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.734 0.069 25693 4102 1 12 . 1 1 55 55 TRP C C 55 176.602 176.602 176.202 0.400 25693 4103 1 12 . 1 1 55 55 TRP CA C 55 57.651 57.651 57.991 -0.340 25693 4104 1 12 . 1 1 55 55 TRP CB C 55 30.105 30.105 30.996 -0.891 25693 4105 1 12 . 1 1 55 55 TRP H H 55 7.979 7.979 7.353 0.626 25693 4106 1 12 . 1 1 56 56 VAL N N 56 121.829 121.829 119.941 1.888 25693 4107 1 12 . 1 1 56 56 VAL HA H 56 4.031 4.031 3.824 0.207 25693 4108 1 12 . 1 1 56 56 VAL C C 56 175.779 175.779 175.666 0.113 25693 4109 1 12 . 1 1 56 56 VAL CA C 56 63.060 63.060 63.294 -0.234 25693 4110 1 12 . 1 1 56 56 VAL CB C 56 33.012 33.012 30.290 2.722 25693 4111 1 12 . 1 1 56 56 VAL H H 56 7.817 7.817 8.320 -0.503 25693 4112 1 12 . 1 1 57 57 ARG N N 57 123.817 123.817 125.473 -1.656 25693 4113 1 12 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.050 0.255 25693 4114 1 12 . 1 1 57 57 ARG C C 57 176.484 176.484 174.500 1.984 25693 4115 1 12 . 1 1 57 57 ARG CA C 57 56.741 56.741 56.693 0.049 25693 4116 1 12 . 1 1 57 57 ARG CB C 57 31.502 31.502 30.053 1.448 25693 4117 1 12 . 1 1 57 57 ARG H H 57 8.087 8.087 8.711 -0.624 25693 4118 1 12 . 1 1 58 58 ASP N N 58 121.452 121.452 121.898 -0.446 25693 4119 1 12 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.942 -0.225 25693 4120 1 12 . 1 1 58 58 ASP C C 58 177.508 177.508 176.173 1.335 25693 4121 1 12 . 1 1 58 58 ASP CA C 58 54.966 54.966 53.339 1.627 25693 4122 1 12 . 1 1 58 58 ASP CB C 58 42.021 42.021 43.295 -1.274 25693 4123 1 12 . 1 1 58 58 ASP H H 58 8.240 8.240 8.463 -0.223 25693 4124 1 12 . 1 1 59 59 VAL N N 59 120.104 120.104 121.838 -1.734 25693 4125 1 12 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.238 -0.071 25693 4126 1 12 . 1 1 59 59 VAL C C 59 177.636 177.636 175.765 1.871 25693 4127 1 12 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.675 0.471 25693 4128 1 12 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.504 0.873 25693 4129 1 12 . 1 1 59 59 VAL H H 59 8.059 8.059 8.485 -0.426 25693 4130 1 12 . 1 1 60 60 VAL N N 60 123.394 123.394 121.998 1.396 25693 4131 1 12 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.970 0.173 25693 4132 1 12 . 1 1 60 60 VAL C C 60 177.956 177.956 174.895 3.061 25693 4133 1 12 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.235 1.217 25693 4134 1 12 . 1 1 60 60 VAL CB C 60 33.012 33.012 31.045 1.967 25693 4135 1 12 . 1 1 60 60 VAL H H 60 8.115 8.115 8.102 0.013 25693 4136 1 12 . 1 1 61 61 ARG N N 61 124.402 124.402 128.023 -3.621 25693 4137 1 12 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.413 0.220 25693 4138 1 12 . 1 1 61 61 ARG C C 61 177.786 177.786 176.411 1.375 25693 4139 1 12 . 1 1 61 61 ARG CA C 61 56.713 56.713 54.835 1.878 25693 4140 1 12 . 1 1 61 61 ARG CB C 61 31.306 31.306 31.806 -0.500 25693 4141 1 12 . 1 1 61 61 ARG H H 61 8.350 8.350 8.076 0.274 25693 4142 1 12 . 1 1 62 62 SER N N 62 121.629 121.629 119.993 1.636 25693 4143 1 12 . 1 1 62 62 SER HA H 62 4.579 4.579 4.337 0.242 25693 4144 1 12 . 1 1 62 62 SER C C 62 177.687 177.687 174.775 2.912 25693 4145 1 12 . 1 1 62 62 SER CA C 62 56.270 56.270 59.529 -3.259 25693 4146 1 12 . 1 1 62 62 SER CB C 62 70.537 70.537 62.727 7.810 25693 4147 1 12 . 1 1 62 62 SER H H 62 8.253 8.253 8.683 -0.430 25693 4148 1 12 . 1 1 63 63 MET N N 63 121.452 121.452 124.675 -3.223 25693 4149 1 12 . 1 1 63 63 MET HA H 63 4.706 4.706 4.618 0.088 25693 4150 1 12 . 1 1 63 63 MET C C 63 177.252 177.252 175.980 1.272 25693 4151 1 12 . 1 1 63 63 MET CA C 63 54.861 54.861 55.351 -0.490 25693 4152 1 12 . 1 1 63 63 MET CB C 63 31.514 31.514 32.818 -1.304 25693 4153 1 12 . 1 1 63 63 MET H H 63 8.245 8.245 8.271 -0.026 25693 4154 1 12 . 1 1 64 64 ASP N N 64 120.811 120.811 121.368 -0.557 25693 4155 1 12 . 1 1 64 64 ASP C C 64 177.786 177.786 176.392 1.394 25693 4156 1 12 . 1 1 64 64 ASP CA C 64 56.468 56.468 54.868 1.599 25693 4157 1 12 . 1 1 64 64 ASP CB C 64 33.377 33.377 40.612 -7.235 25693 4158 1 12 . 1 1 64 64 ASP H H 64 8.251 8.251 8.333 -0.082 25693 4159 1 12 . 1 1 65 65 ARG N N 65 120.563 120.563 119.483 1.080 25693 4160 1 12 . 1 1 65 65 ARG HA H 65 4.469 4.469 3.923 0.546 25693 4161 1 12 . 1 1 65 65 ARG C C 65 179.397 179.397 175.681 3.716 25693 4162 1 12 . 1 1 65 65 ARG CA C 65 57.080 57.080 56.330 0.750 25693 4163 1 12 . 1 1 65 65 ARG CB C 65 33.510 33.510 28.593 4.917 25693 4164 1 12 . 1 1 65 65 ARG H H 65 8.145 8.145 8.401 -0.256 25693 4165 1 13 . 1 1 2 2 GLY C C 2 176.333 176.333 173.310 3.023 25693 4166 1 13 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.846 8.035 25693 4167 1 13 . 1 1 3 3 SER N N 3 119.606 119.606 115.472 4.134 25693 4168 1 13 . 1 1 3 3 SER C C 3 171.619 171.619 173.704 -2.085 25693 4169 1 13 . 1 1 3 3 SER CA C 3 62.684 62.684 56.874 5.810 25693 4170 1 13 . 1 1 3 3 SER CB C 3 62.684 62.684 65.173 -2.489 25693 4171 1 13 . 1 1 3 3 SER H H 3 8.031 8.031 7.552 0.479 25693 4172 1 13 . 1 1 4 4 GLU N N 4 122.937 122.937 127.671 -4.734 25693 4173 1 13 . 1 1 4 4 GLU C C 4 178.452 178.452 175.740 2.712 25693 4174 1 13 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.651 0.736 25693 4175 1 13 . 1 1 4 4 GLU CB C 4 30.575 30.575 29.025 1.550 25693 4176 1 13 . 1 1 4 4 GLU H H 4 7.979 7.979 8.716 -0.737 25693 4177 1 13 . 1 1 5 5 VAL N N 5 120.522 120.522 127.358 -6.836 25693 4178 1 13 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.082 0.187 25693 4179 1 13 . 1 1 5 5 VAL CA C 5 62.840 62.840 64.030 -1.190 25693 4180 1 13 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.852 0.342 25693 4181 1 13 . 1 1 5 5 VAL H H 5 8.185 8.185 9.035 -0.850 25693 4182 1 13 . 1 1 6 6 SER N N 6 119.109 119.109 111.463 7.646 25693 4183 1 13 . 1 1 6 6 SER HA H 6 4.560 4.560 4.589 -0.029 25693 4184 1 13 . 1 1 6 6 SER CA C 6 58.826 58.826 57.927 0.899 25693 4185 1 13 . 1 1 6 6 SER CB C 6 64.865 64.865 64.288 0.577 25693 4186 1 13 . 1 1 6 6 SER H H 6 8.340 8.340 7.998 0.342 25693 4187 1 13 . 1 1 7 7 ASP N N 7 122.786 122.786 120.866 1.920 25693 4188 1 13 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.807 -0.101 25693 4189 1 13 . 1 1 7 7 ASP C C 7 177.572 177.572 175.088 2.484 25693 4190 1 13 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.098 0.838 25693 4191 1 13 . 1 1 7 7 ASP CB C 7 41.984 41.984 42.044 -0.060 25693 4192 1 13 . 1 1 7 7 ASP H H 7 8.347 8.347 7.824 0.523 25693 4193 1 13 . 1 1 8 8 LYS N N 8 119.939 119.939 120.035 -0.096 25693 4194 1 13 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.839 -0.432 25693 4195 1 13 . 1 1 8 8 LYS C C 8 178.323 178.323 175.397 2.926 25693 4196 1 13 . 1 1 8 8 LYS CA C 8 56.844 56.844 55.923 0.921 25693 4197 1 13 . 1 1 8 8 LYS CB C 8 31.076 31.076 35.378 -4.302 25693 4198 1 13 . 1 1 8 8 LYS H H 8 8.060 8.060 8.640 -0.580 25693 4199 1 13 . 1 1 9 9 ARG N N 9 121.813 121.813 124.897 -3.084 25693 4200 1 13 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.229 0.240 25693 4201 1 13 . 1 1 9 9 ARG C C 9 178.148 178.148 175.319 2.829 25693 4202 1 13 . 1 1 9 9 ARG CA C 9 56.779 56.779 56.324 0.455 25693 4203 1 13 . 1 1 9 9 ARG CB C 9 31.062 31.062 29.005 2.057 25693 4204 1 13 . 1 1 9 9 ARG H H 9 8.352 8.352 8.707 -0.355 25693 4205 1 13 . 1 1 10 10 THR N N 10 116.680 116.680 122.000 -5.320 25693 4206 1 13 . 1 1 10 10 THR HA H 10 4.487 4.487 4.435 0.052 25693 4207 1 13 . 1 1 10 10 THR CA C 10 59.286 59.286 62.573 -3.287 25693 4208 1 13 . 1 1 10 10 THR CB C 10 64.412 64.412 69.583 -5.171 25693 4209 1 13 . 1 1 10 10 THR H H 10 8.263 8.263 7.959 0.304 25693 4210 1 13 . 1 1 11 11 CYS N N 11 124.443 124.443 125.334 -0.891 25693 4211 1 13 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.756 1.536 25693 4212 1 13 . 1 1 11 11 CYS C C 11 169.873 169.873 174.002 -4.129 25693 4213 1 13 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.787 -2.177 25693 4214 1 13 . 1 1 11 11 CYS CB C 11 44.241 44.241 29.800 14.441 25693 4215 1 13 . 1 1 11 11 CYS H H 11 8.166 8.166 8.708 -0.542 25693 4216 1 13 . 1 1 12 12 VAL N N 12 118.379 118.379 120.772 -2.393 25693 4217 1 13 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.662 0.051 25693 4218 1 13 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.626 0.344 25693 4219 1 13 . 1 1 12 12 VAL CB C 12 35.720 35.720 35.000 0.720 25693 4220 1 13 . 1 1 12 12 VAL H H 12 9.190 9.190 9.236 -0.046 25693 4221 1 13 . 1 1 13 13 SER N N 13 118.231 118.231 119.875 -1.644 25693 4222 1 13 . 1 1 13 13 SER HA H 13 5.457 5.457 5.218 0.239 25693 4223 1 13 . 1 1 13 13 SER CA C 13 57.815 57.815 56.708 1.107 25693 4224 1 13 . 1 1 13 13 SER CB C 13 66.744 66.744 64.382 2.362 25693 4225 1 13 . 1 1 13 13 SER H H 13 8.477 8.477 8.349 0.128 25693 4226 1 13 . 1 1 14 14 LEU N N 14 125.590 125.590 126.937 -1.347 25693 4227 1 13 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.717 0.099 25693 4228 1 13 . 1 1 14 14 LEU C C 14 176.497 176.497 176.061 0.436 25693 4229 1 13 . 1 1 14 14 LEU CA C 14 55.068 55.068 53.959 1.109 25693 4230 1 13 . 1 1 14 14 LEU CB C 14 45.750 45.750 44.515 1.235 25693 4231 1 13 . 1 1 14 14 LEU H H 14 9.031 9.031 9.218 -0.187 25693 4232 1 13 . 1 1 15 15 THR N N 15 121.083 121.083 116.631 4.452 25693 4233 1 13 . 1 1 15 15 THR HA H 15 4.870 4.870 4.831 0.039 25693 4234 1 13 . 1 1 15 15 THR C C 15 171.445 171.445 174.196 -2.751 25693 4235 1 13 . 1 1 15 15 THR CA C 15 62.607 62.607 61.108 1.499 25693 4236 1 13 . 1 1 15 15 THR CB C 15 70.127 70.127 69.070 1.057 25693 4237 1 13 . 1 1 15 15 THR H H 15 8.684 8.684 8.588 0.096 25693 4238 1 13 . 1 1 16 16 THR N N 16 117.142 117.142 119.751 -2.609 25693 4239 1 13 . 1 1 16 16 THR HA H 16 4.724 4.724 4.510 0.214 25693 4240 1 13 . 1 1 16 16 THR CA C 16 61.091 61.091 61.465 -0.374 25693 4241 1 13 . 1 1 16 16 THR CB C 16 71.260 71.260 70.217 1.043 25693 4242 1 13 . 1 1 16 16 THR H H 16 8.114 8.114 8.199 -0.085 25693 4243 1 13 . 1 1 17 17 GLN N N 17 119.423 119.423 122.057 -2.634 25693 4244 1 13 . 1 1 17 17 GLN HA H 17 4.497 4.497 3.900 0.597 25693 4245 1 13 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.062 -0.501 25693 4246 1 13 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.843 1.001 25693 4247 1 13 . 1 1 17 17 GLN H H 17 8.260 8.260 8.669 -0.409 25693 4248 1 13 . 1 1 18 18 ARG N N 18 119.630 119.630 119.233 0.397 25693 4249 1 13 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.808 -0.301 25693 4250 1 13 . 1 1 18 18 ARG C C 18 177.434 177.434 175.477 1.957 25693 4251 1 13 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.444 1.667 25693 4252 1 13 . 1 1 18 18 ARG CB C 18 30.895 30.895 30.888 0.007 25693 4253 1 13 . 1 1 18 18 ARG H H 18 8.190 8.190 8.446 -0.256 25693 4254 1 13 . 1 1 19 19 LEU N N 19 125.797 125.797 121.030 4.767 25693 4255 1 13 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.447 0.794 25693 4256 1 13 . 1 1 19 19 LEU CB C 19 43.403 43.403 43.482 -0.079 25693 4257 1 13 . 1 1 19 19 LEU H H 19 8.674 8.674 8.065 0.609 25693 4258 1 13 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.396 0.392 25693 4259 1 13 . 1 1 20 20 PRO C C 20 177.352 177.352 176.400 0.952 25693 4260 1 13 . 1 1 20 20 PRO CA C 20 63.146 63.146 63.143 0.003 25693 4261 1 13 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.912 -2.420 25693 4262 1 13 . 1 1 21 21 VAL N N 21 119.308 119.308 118.483 0.825 25693 4263 1 13 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.580 -0.442 25693 4264 1 13 . 1 1 21 21 VAL CA C 21 61.308 61.308 61.170 0.138 25693 4265 1 13 . 1 1 21 21 VAL CB C 21 34.628 34.628 33.789 0.839 25693 4266 1 13 . 1 1 21 21 VAL H H 21 7.850 7.850 7.968 -0.118 25693 4267 1 13 . 1 1 22 22 SER N N 22 121.709 121.709 116.973 4.736 25693 4268 1 13 . 1 1 22 22 SER HA H 22 4.589 4.589 4.546 0.043 25693 4269 1 13 . 1 1 22 22 SER C C 22 170.922 170.922 173.952 -3.030 25693 4270 1 13 . 1 1 22 22 SER CA C 22 59.316 59.316 59.523 -0.207 25693 4271 1 13 . 1 1 22 22 SER CB C 22 64.576 64.576 63.557 1.019 25693 4272 1 13 . 1 1 22 22 SER H H 22 8.671 8.671 8.615 0.056 25693 4273 1 13 . 1 1 23 23 ARG N N 23 120.473 120.473 119.977 0.496 25693 4274 1 13 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.512 0.067 25693 4275 1 13 . 1 1 23 23 ARG C C 23 171.215 171.215 173.638 -2.423 25693 4276 1 13 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.762 -0.366 25693 4277 1 13 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.122 0.269 25693 4278 1 13 . 1 1 23 23 ARG H H 23 7.828 7.828 7.609 0.219 25693 4279 1 13 . 1 1 24 24 ILE N N 24 120.563 120.563 124.265 -3.702 25693 4280 1 13 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.810 -0.375 25693 4281 1 13 . 1 1 24 24 ILE C C 24 176.100 176.100 176.173 -0.073 25693 4282 1 13 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.225 3.278 25693 4283 1 13 . 1 1 24 24 ILE CB C 24 39.509 39.509 37.171 2.338 25693 4284 1 13 . 1 1 24 24 ILE H H 24 8.085 8.085 8.441 -0.356 25693 4285 1 13 . 1 1 25 25 LYS N N 25 127.474 127.474 128.250 -0.776 25693 4286 1 13 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.593 0.178 25693 4287 1 13 . 1 1 25 25 LYS C C 25 173.336 173.336 174.652 -1.316 25693 4288 1 13 . 1 1 25 25 LYS CA C 25 55.120 55.120 53.998 1.122 25693 4289 1 13 . 1 1 25 25 LYS CB C 25 35.825 35.825 34.944 0.881 25693 4290 1 13 . 1 1 25 25 LYS H H 25 8.526 8.526 8.229 0.297 25693 4291 1 13 . 1 1 26 26 THR N N 26 114.644 114.644 111.848 2.796 25693 4292 1 13 . 1 1 26 26 THR HA H 26 5.512 5.512 5.423 0.089 25693 4293 1 13 . 1 1 26 26 THR C C 26 169.422 169.422 173.713 -4.291 25693 4294 1 13 . 1 1 26 26 THR CA C 26 60.264 60.264 59.838 0.426 25693 4295 1 13 . 1 1 26 26 THR CB C 26 72.098 72.098 70.283 1.815 25693 4296 1 13 . 1 1 26 26 THR H H 26 7.998 7.998 7.899 0.099 25693 4297 1 13 . 1 1 27 27 TYR N N 27 122.745 122.745 125.186 -2.441 25693 4298 1 13 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.644 0.233 25693 4299 1 13 . 1 1 27 27 TYR CA C 27 57.331 57.331 56.991 0.340 25693 4300 1 13 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.241 1.360 25693 4301 1 13 . 1 1 27 27 TYR H H 27 8.848 8.848 8.393 0.455 25693 4302 1 13 . 1 1 28 28 THR N N 28 117.167 117.167 115.595 1.572 25693 4303 1 13 . 1 1 28 28 THR HA H 28 5.005 5.005 5.485 -0.480 25693 4304 1 13 . 1 1 28 28 THR C C 28 169.027 169.027 174.068 -5.041 25693 4305 1 13 . 1 1 28 28 THR CA C 28 61.921 61.921 60.404 1.517 25693 4306 1 13 . 1 1 28 28 THR CB C 28 70.988 70.988 69.856 1.132 25693 4307 1 13 . 1 1 28 28 THR H H 28 8.532 8.532 8.442 0.090 25693 4308 1 13 . 1 1 29 29 ILE N N 29 124.474 124.474 127.014 -2.540 25693 4309 1 13 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.358 -0.006 25693 4310 1 13 . 1 1 29 29 ILE C C 29 171.747 171.747 175.227 -3.480 25693 4311 1 13 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.637 -0.432 25693 4312 1 13 . 1 1 29 29 ILE CB C 29 42.025 42.025 39.905 2.120 25693 4313 1 13 . 1 1 29 29 ILE H H 29 8.782 8.782 8.905 -0.123 25693 4314 1 13 . 1 1 30 30 THR N N 30 120.157 120.157 118.206 1.951 25693 4315 1 13 . 1 1 30 30 THR HA H 30 5.143 5.143 5.382 -0.239 25693 4316 1 13 . 1 1 30 30 THR C C 30 170.054 170.054 173.779 -3.725 25693 4317 1 13 . 1 1 30 30 THR CA C 30 60.664 60.664 59.916 0.748 25693 4318 1 13 . 1 1 30 30 THR CB C 30 71.397 71.397 69.420 1.977 25693 4319 1 13 . 1 1 30 30 THR H H 30 8.475 8.475 8.557 -0.082 25693 4320 1 13 . 1 1 31 31 GLU N N 31 126.425 126.425 124.159 2.266 25693 4321 1 13 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.483 0.168 25693 4322 1 13 . 1 1 31 31 GLU C C 31 176.004 176.004 176.161 -0.157 25693 4323 1 13 . 1 1 31 31 GLU CA C 31 55.212 55.212 56.308 -1.096 25693 4324 1 13 . 1 1 31 31 GLU CB C 31 31.637 31.637 30.379 1.258 25693 4325 1 13 . 1 1 31 31 GLU H H 31 8.589 8.589 8.220 0.369 25693 4326 1 13 . 1 1 32 32 GLY N N 32 116.534 116.534 113.874 2.660 25693 4327 1 13 . 1 1 32 32 GLY CA C 32 47.692 47.692 44.897 2.795 25693 4328 1 13 . 1 1 32 32 GLY H H 32 8.996 8.996 8.616 0.380 25693 4329 1 13 . 1 1 33 33 SER HA H 33 4.452 4.452 4.114 0.338 25693 4330 1 13 . 1 1 33 33 SER C C 33 173.267 173.267 172.884 0.383 25693 4331 1 13 . 1 1 33 33 SER CA C 33 59.715 59.715 58.842 0.873 25693 4332 1 13 . 1 1 33 33 SER CB C 33 59.715 59.715 63.091 -3.376 25693 4333 1 13 . 1 1 34 34 LEU N N 34 116.305 116.305 119.339 -3.034 25693 4334 1 13 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.597 0.064 25693 4335 1 13 . 1 1 34 34 LEU C C 34 173.314 173.314 174.386 -1.072 25693 4336 1 13 . 1 1 34 34 LEU CA C 34 55.304 55.304 55.107 0.197 25693 4337 1 13 . 1 1 34 34 LEU CB C 34 44.132 44.132 44.993 -0.861 25693 4338 1 13 . 1 1 34 34 LEU H H 34 8.425 8.425 7.759 0.666 25693 4339 1 13 . 1 1 35 35 ARG N N 35 127.474 127.474 124.284 3.190 25693 4340 1 13 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.515 -0.324 25693 4341 1 13 . 1 1 35 35 ARG C C 35 175.720 175.720 174.416 1.304 25693 4342 1 13 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.343 0.961 25693 4343 1 13 . 1 1 35 35 ARG CB C 35 32.808 32.808 33.782 -0.974 25693 4344 1 13 . 1 1 35 35 ARG H H 35 8.560 8.560 8.591 -0.031 25693 4345 1 13 . 1 1 36 36 CYS N N 36 122.335 122.335 121.669 0.666 25693 4346 1 13 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.656 0.193 25693 4347 1 13 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.332 -1.493 25693 4348 1 13 . 1 1 36 36 CYS CB C 36 50.065 50.065 31.032 19.033 25693 4349 1 13 . 1 1 36 36 CYS H H 36 9.179 9.179 9.026 0.153 25693 4350 1 13 . 1 1 37 37 VAL N N 37 122.327 122.327 127.452 -5.125 25693 4351 1 13 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.152 -0.399 25693 4352 1 13 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.712 0.394 25693 4353 1 13 . 1 1 37 37 VAL CB C 37 35.159 35.159 35.176 -0.017 25693 4354 1 13 . 1 1 37 37 VAL H H 37 9.308 9.308 9.054 0.254 25693 4355 1 13 . 1 1 38 38 ILE N N 38 126.295 126.295 125.675 0.620 25693 4356 1 13 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.228 -0.380 25693 4357 1 13 . 1 1 38 38 ILE CA C 38 60.480 60.480 59.898 0.582 25693 4358 1 13 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.607 0.284 25693 4359 1 13 . 1 1 38 38 ILE H H 38 9.014 9.014 8.639 0.375 25693 4360 1 13 . 1 1 39 39 PHE N N 39 124.882 124.882 127.220 -2.338 25693 4361 1 13 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.216 0.091 25693 4362 1 13 . 1 1 39 39 PHE C C 39 174.855 174.855 175.753 -0.898 25693 4363 1 13 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.450 0.048 25693 4364 1 13 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.003 1.504 25693 4365 1 13 . 1 1 39 39 PHE H H 39 9.700 9.700 9.527 0.173 25693 4366 1 13 . 1 1 40 40 ILE N N 40 124.722 124.722 126.771 -2.049 25693 4367 1 13 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.490 0.232 25693 4368 1 13 . 1 1 40 40 ILE C C 40 173.603 173.603 175.527 -1.924 25693 4369 1 13 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.122 0.614 25693 4370 1 13 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.132 0.779 25693 4371 1 13 . 1 1 40 40 ILE H H 40 9.313 9.313 8.642 0.671 25693 4372 1 13 . 1 1 41 41 THR N N 41 116.571 116.571 119.966 -3.395 25693 4373 1 13 . 1 1 41 41 THR HA H 41 4.988 4.988 4.784 0.204 25693 4374 1 13 . 1 1 41 41 THR C C 41 171.363 171.363 175.038 -3.675 25693 4375 1 13 . 1 1 41 41 THR CA C 41 59.776 59.776 59.867 -0.091 25693 4376 1 13 . 1 1 41 41 THR CB C 41 72.930 72.930 71.258 1.672 25693 4377 1 13 . 1 1 41 41 THR H H 41 8.593 8.593 9.226 -0.633 25693 4378 1 13 . 1 1 42 42 LYS N N 42 116.228 116.228 118.240 -2.012 25693 4379 1 13 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.592 -0.185 25693 4380 1 13 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.461 2.039 25693 4381 1 13 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.886 1.448 25693 4382 1 13 . 1 1 42 42 LYS H H 42 8.597 8.597 8.734 -0.137 25693 4383 1 13 . 1 1 43 43 ARG N N 43 113.916 113.916 117.577 -3.661 25693 4384 1 13 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.800 -0.149 25693 4385 1 13 . 1 1 43 43 ARG C C 43 176.160 176.160 175.164 0.996 25693 4386 1 13 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.547 -0.335 25693 4387 1 13 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.484 -0.934 25693 4388 1 13 . 1 1 43 43 ARG H H 43 7.753 7.753 7.530 0.223 25693 4389 1 13 . 1 1 44 44 GLY N N 44 107.712 107.712 106.610 1.102 25693 4390 1 13 . 1 1 44 44 GLY C C 44 163.798 163.798 172.064 -8.266 25693 4391 1 13 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.306 0.816 25693 4392 1 13 . 1 1 44 44 GLY H H 44 7.498 7.498 7.503 -0.005 25693 4393 1 13 . 1 1 45 45 LEU N N 45 120.948 120.948 119.523 1.425 25693 4394 1 13 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.540 -0.009 25693 4395 1 13 . 1 1 45 45 LEU C C 45 175.801 175.801 174.991 0.810 25693 4396 1 13 . 1 1 45 45 LEU CA C 45 54.201 54.201 53.957 0.244 25693 4397 1 13 . 1 1 45 45 LEU CB C 45 47.446 47.446 47.301 0.145 25693 4398 1 13 . 1 1 45 45 LEU H H 45 8.374 8.374 8.703 -0.329 25693 4399 1 13 . 1 1 46 46 LYS N N 46 124.968 124.968 122.410 2.558 25693 4400 1 13 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.083 0.250 25693 4401 1 13 . 1 1 46 46 LYS C C 46 171.169 171.169 174.429 -3.260 25693 4402 1 13 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.262 0.593 25693 4403 1 13 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.582 1.164 25693 4404 1 13 . 1 1 46 46 LYS H H 46 9.115 9.115 9.032 0.083 25693 4405 1 13 . 1 1 47 47 VAL N N 47 126.006 126.006 127.090 -1.084 25693 4406 1 13 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.069 0.184 25693 4407 1 13 . 1 1 47 47 VAL C C 47 173.892 173.892 173.164 0.728 25693 4408 1 13 . 1 1 47 47 VAL CA C 47 60.940 60.940 60.020 0.920 25693 4409 1 13 . 1 1 47 47 VAL CB C 47 34.851 34.851 34.767 0.084 25693 4410 1 13 . 1 1 47 47 VAL H H 47 9.221 9.221 9.272 -0.051 25693 4411 1 13 . 1 1 48 48 CYS N N 48 123.279 123.279 128.836 -5.557 25693 4412 1 13 . 1 1 48 48 CYS HA H 48 6.040 6.040 4.995 1.045 25693 4413 1 13 . 1 1 48 48 CYS C C 48 172.554 172.554 173.968 -1.414 25693 4414 1 13 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.016 -2.835 25693 4415 1 13 . 1 1 48 48 CYS CB C 48 48.662 48.662 27.511 21.151 25693 4416 1 13 . 1 1 48 48 CYS H H 48 9.201 9.201 9.142 0.059 25693 4417 1 13 . 1 1 49 49 CYS N N 49 119.872 119.872 128.054 -8.182 25693 4418 1 13 . 1 1 49 49 CYS HA H 49 5.679 5.679 4.939 0.740 25693 4419 1 13 . 1 1 49 49 CYS CA C 49 56.214 56.214 59.270 -3.056 25693 4420 1 13 . 1 1 49 49 CYS CB C 49 48.015 48.015 27.748 20.267 25693 4421 1 13 . 1 1 49 49 CYS H H 49 9.117 9.117 8.902 0.215 25693 4422 1 13 . 1 1 50 50 ASP N N 50 123.093 123.093 125.307 -2.214 25693 4423 1 13 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.154 0.008 25693 4424 1 13 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.285 1.585 25693 4425 1 13 . 1 1 50 50 ASP CB C 50 42.838 42.838 42.815 0.023 25693 4426 1 13 . 1 1 50 50 ASP H H 50 8.837 8.837 9.225 -0.388 25693 4427 1 13 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.600 0.125 25693 4428 1 13 . 1 1 51 51 PRO C C 51 178.489 178.489 176.764 1.725 25693 4429 1 13 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.840 -0.265 25693 4430 1 13 . 1 1 51 51 PRO CB C 51 32.550 32.550 32.612 -0.062 25693 4431 1 13 . 1 1 52 52 GLN N N 52 120.594 120.594 113.885 6.709 25693 4432 1 13 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.151 0.217 25693 4433 1 13 . 1 1 52 52 GLN C C 52 175.779 175.779 177.042 -1.263 25693 4434 1 13 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.820 -0.665 25693 4435 1 13 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.527 3.542 25693 4436 1 13 . 1 1 52 52 GLN H H 52 8.504 8.504 8.451 0.053 25693 4437 1 13 . 1 1 53 53 ALA N N 53 124.936 124.936 121.083 3.853 25693 4438 1 13 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.098 0.244 25693 4439 1 13 . 1 1 53 53 ALA CA C 53 53.214 53.214 55.123 -1.909 25693 4440 1 13 . 1 1 53 53 ALA CB C 53 19.978 19.978 19.005 0.974 25693 4441 1 13 . 1 1 53 53 ALA H H 53 8.290 8.290 8.101 0.189 25693 4442 1 13 . 1 1 54 54 THR N N 54 112.200 112.200 106.483 5.717 25693 4443 1 13 . 1 1 54 54 THR HA H 54 4.318 4.318 4.227 0.091 25693 4444 1 13 . 1 1 54 54 THR CA C 54 62.594 62.594 60.826 1.768 25693 4445 1 13 . 1 1 54 54 THR CB C 54 70.341 70.341 68.473 1.868 25693 4446 1 13 . 1 1 54 54 THR H H 54 8.011 8.011 8.124 -0.113 25693 4447 1 13 . 1 1 55 55 TRP N N 55 122.937 122.937 120.988 1.949 25693 4448 1 13 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.852 -0.049 25693 4449 1 13 . 1 1 55 55 TRP C C 55 176.602 176.602 175.296 1.306 25693 4450 1 13 . 1 1 55 55 TRP CA C 55 57.651 57.651 56.238 1.413 25693 4451 1 13 . 1 1 55 55 TRP CB C 55 30.105 30.105 30.351 -0.246 25693 4452 1 13 . 1 1 55 55 TRP H H 55 7.979 7.979 7.402 0.577 25693 4453 1 13 . 1 1 56 56 VAL N N 56 121.829 121.829 121.742 0.087 25693 4454 1 13 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.047 -0.016 25693 4455 1 13 . 1 1 56 56 VAL C C 56 175.779 175.779 175.839 -0.060 25693 4456 1 13 . 1 1 56 56 VAL CA C 56 63.060 63.060 63.004 0.056 25693 4457 1 13 . 1 1 56 56 VAL CB C 56 33.012 33.012 31.734 1.278 25693 4458 1 13 . 1 1 56 56 VAL H H 56 7.817 7.817 7.971 -0.154 25693 4459 1 13 . 1 1 57 57 ARG N N 57 123.817 123.817 128.587 -4.770 25693 4460 1 13 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.667 -0.362 25693 4461 1 13 . 1 1 57 57 ARG C C 57 176.484 176.484 175.749 0.735 25693 4462 1 13 . 1 1 57 57 ARG CA C 57 56.741 56.741 54.886 1.855 25693 4463 1 13 . 1 1 57 57 ARG CB C 57 31.502 31.502 31.647 -0.145 25693 4464 1 13 . 1 1 57 57 ARG H H 57 8.087 8.087 8.205 -0.118 25693 4465 1 13 . 1 1 58 58 ASP N N 58 121.452 121.452 120.125 1.327 25693 4466 1 13 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.588 0.129 25693 4467 1 13 . 1 1 58 58 ASP C C 58 177.508 177.508 177.448 0.060 25693 4468 1 13 . 1 1 58 58 ASP CA C 58 54.966 54.966 56.491 -1.525 25693 4469 1 13 . 1 1 58 58 ASP CB C 58 42.021 42.021 40.962 1.059 25693 4470 1 13 . 1 1 58 58 ASP H H 58 8.240 8.240 8.441 -0.201 25693 4471 1 13 . 1 1 59 59 VAL N N 59 120.104 120.104 120.474 -0.370 25693 4472 1 13 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.014 0.153 25693 4473 1 13 . 1 1 59 59 VAL C C 59 177.636 177.636 175.484 2.152 25693 4474 1 13 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.597 0.548 25693 4475 1 13 . 1 1 59 59 VAL CB C 59 33.377 33.377 29.618 3.759 25693 4476 1 13 . 1 1 59 59 VAL H H 59 8.059 8.059 8.159 -0.100 25693 4477 1 13 . 1 1 60 60 VAL N N 60 123.394 123.394 122.205 1.189 25693 4478 1 13 . 1 1 60 60 VAL HA H 60 4.143 4.143 4.355 -0.212 25693 4479 1 13 . 1 1 60 60 VAL C C 60 177.956 177.956 176.293 1.663 25693 4480 1 13 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.166 1.286 25693 4481 1 13 . 1 1 60 60 VAL CB C 60 33.012 33.012 34.397 -1.385 25693 4482 1 13 . 1 1 60 60 VAL H H 60 8.115 8.115 8.142 -0.027 25693 4483 1 13 . 1 1 61 61 ARG N N 61 124.402 124.402 123.956 0.446 25693 4484 1 13 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.514 0.119 25693 4485 1 13 . 1 1 61 61 ARG C C 61 177.786 177.786 174.985 2.801 25693 4486 1 13 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.109 1.604 25693 4487 1 13 . 1 1 61 61 ARG CB C 61 31.306 31.306 28.286 3.020 25693 4488 1 13 . 1 1 61 61 ARG H H 61 8.350 8.350 7.835 0.515 25693 4489 1 13 . 1 1 62 62 SER N N 62 121.629 121.629 116.431 5.198 25693 4490 1 13 . 1 1 62 62 SER HA H 62 4.579 4.579 4.604 -0.025 25693 4491 1 13 . 1 1 62 62 SER C C 62 177.687 177.687 172.717 4.970 25693 4492 1 13 . 1 1 62 62 SER CA C 62 56.270 56.270 58.943 -2.673 25693 4493 1 13 . 1 1 62 62 SER CB C 62 70.537 70.537 64.383 6.154 25693 4494 1 13 . 1 1 62 62 SER H H 62 8.253 8.253 8.000 0.253 25693 4495 1 13 . 1 1 63 63 MET N N 63 121.452 121.452 123.915 -2.463 25693 4496 1 13 . 1 1 63 63 MET HA H 63 4.706 4.706 4.794 -0.088 25693 4497 1 13 . 1 1 63 63 MET C C 63 177.252 177.252 175.067 2.185 25693 4498 1 13 . 1 1 63 63 MET CA C 63 54.861 54.861 54.715 0.146 25693 4499 1 13 . 1 1 63 63 MET CB C 63 31.514 31.514 34.451 -2.937 25693 4500 1 13 . 1 1 63 63 MET H H 63 8.245 8.245 8.270 -0.025 25693 4501 1 13 . 1 1 64 64 ASP N N 64 120.811 120.811 124.872 -4.061 25693 4502 1 13 . 1 1 64 64 ASP C C 64 177.786 177.786 175.372 2.414 25693 4503 1 13 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.689 2.779 25693 4504 1 13 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.744 -9.367 25693 4505 1 13 . 1 1 64 64 ASP H H 64 8.251 8.251 8.574 -0.323 25693 4506 1 13 . 1 1 65 65 ARG N N 65 120.563 120.563 120.700 -0.137 25693 4507 1 13 . 1 1 65 65 ARG HA H 65 4.469 4.469 5.221 -0.752 25693 4508 1 13 . 1 1 65 65 ARG C C 65 179.397 179.397 176.508 2.889 25693 4509 1 13 . 1 1 65 65 ARG CA C 65 57.080 57.080 55.283 1.796 25693 4510 1 13 . 1 1 65 65 ARG CB C 65 33.510 33.510 31.907 1.603 25693 4511 1 13 . 1 1 65 65 ARG H H 65 8.145 8.145 8.445 -0.300 25693 4512 1 14 . 1 1 2 2 GLY C C 2 176.333 176.333 173.081 3.252 25693 4513 1 14 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.464 8.417 25693 4514 1 14 . 1 1 3 3 SER N N 3 119.606 119.606 117.800 1.806 25693 4515 1 14 . 1 1 3 3 SER C C 3 171.619 171.619 173.733 -2.114 25693 4516 1 14 . 1 1 3 3 SER CA C 3 62.684 62.684 58.704 3.980 25693 4517 1 14 . 1 1 3 3 SER CB C 3 62.684 62.684 63.347 -0.663 25693 4518 1 14 . 1 1 3 3 SER H H 3 8.031 8.031 8.415 -0.384 25693 4519 1 14 . 1 1 4 4 GLU N N 4 122.937 122.937 125.975 -3.038 25693 4520 1 14 . 1 1 4 4 GLU C C 4 178.452 178.452 175.622 2.830 25693 4521 1 14 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.582 0.805 25693 4522 1 14 . 1 1 4 4 GLU CB C 4 30.575 30.575 31.313 -0.738 25693 4523 1 14 . 1 1 4 4 GLU H H 4 7.979 7.979 8.548 -0.569 25693 4524 1 14 . 1 1 5 5 VAL N N 5 120.522 120.522 125.367 -4.845 25693 4525 1 14 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.176 0.093 25693 4526 1 14 . 1 1 5 5 VAL CA C 5 62.840 62.840 62.891 -0.051 25693 4527 1 14 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.068 1.126 25693 4528 1 14 . 1 1 5 5 VAL H H 5 8.185 8.185 8.421 -0.236 25693 4529 1 14 . 1 1 6 6 SER N N 6 119.109 119.109 114.010 5.099 25693 4530 1 14 . 1 1 6 6 SER HA H 6 4.560 4.560 4.262 0.298 25693 4531 1 14 . 1 1 6 6 SER CA C 6 58.826 58.826 58.687 0.139 25693 4532 1 14 . 1 1 6 6 SER CB C 6 64.865 64.865 63.396 1.469 25693 4533 1 14 . 1 1 6 6 SER H H 6 8.340 8.340 7.803 0.537 25693 4534 1 14 . 1 1 7 7 ASP N N 7 122.786 122.786 122.101 0.685 25693 4535 1 14 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.783 -0.077 25693 4536 1 14 . 1 1 7 7 ASP C C 7 177.572 177.572 175.245 2.327 25693 4537 1 14 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.132 0.804 25693 4538 1 14 . 1 1 7 7 ASP CB C 7 41.984 41.984 40.999 0.985 25693 4539 1 14 . 1 1 7 7 ASP H H 7 8.347 8.347 8.390 -0.043 25693 4540 1 14 . 1 1 8 8 LYS N N 8 119.939 119.939 122.309 -2.370 25693 4541 1 14 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.600 -0.193 25693 4542 1 14 . 1 1 8 8 LYS C C 8 178.323 178.323 176.136 2.187 25693 4543 1 14 . 1 1 8 8 LYS CA C 8 56.844 56.844 55.306 1.538 25693 4544 1 14 . 1 1 8 8 LYS CB C 8 31.076 31.076 34.824 -3.748 25693 4545 1 14 . 1 1 8 8 LYS H H 8 8.060 8.060 8.339 -0.279 25693 4546 1 14 . 1 1 9 9 ARG N N 9 121.813 121.813 127.696 -5.883 25693 4547 1 14 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.490 -0.021 25693 4548 1 14 . 1 1 9 9 ARG C C 9 178.148 178.148 175.490 2.658 25693 4549 1 14 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.769 1.010 25693 4550 1 14 . 1 1 9 9 ARG CB C 9 31.062 31.062 29.368 1.694 25693 4551 1 14 . 1 1 9 9 ARG H H 9 8.352 8.352 8.674 -0.322 25693 4552 1 14 . 1 1 10 10 THR N N 10 116.680 116.680 120.516 -3.836 25693 4553 1 14 . 1 1 10 10 THR HA H 10 4.487 4.487 4.563 -0.076 25693 4554 1 14 . 1 1 10 10 THR CA C 10 59.286 59.286 62.103 -2.817 25693 4555 1 14 . 1 1 10 10 THR CB C 10 64.412 64.412 70.670 -6.258 25693 4556 1 14 . 1 1 10 10 THR H H 10 8.263 8.263 7.749 0.514 25693 4557 1 14 . 1 1 11 11 CYS N N 11 124.443 124.443 124.677 -0.234 25693 4558 1 14 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.736 1.556 25693 4559 1 14 . 1 1 11 11 CYS C C 11 169.873 169.873 173.934 -4.061 25693 4560 1 14 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.924 -2.314 25693 4561 1 14 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.338 13.903 25693 4562 1 14 . 1 1 11 11 CYS H H 11 8.166 8.166 8.773 -0.607 25693 4563 1 14 . 1 1 12 12 VAL N N 12 118.379 118.379 121.171 -2.792 25693 4564 1 14 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.657 0.056 25693 4565 1 14 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.811 0.159 25693 4566 1 14 . 1 1 12 12 VAL CB C 12 35.720 35.720 33.494 2.226 25693 4567 1 14 . 1 1 12 12 VAL H H 12 9.190 9.190 8.996 0.194 25693 4568 1 14 . 1 1 13 13 SER N N 13 118.231 118.231 120.763 -2.532 25693 4569 1 14 . 1 1 13 13 SER HA H 13 5.457 5.457 5.156 0.301 25693 4570 1 14 . 1 1 13 13 SER CA C 13 57.815 57.815 57.075 0.740 25693 4571 1 14 . 1 1 13 13 SER CB C 13 66.744 66.744 65.837 0.907 25693 4572 1 14 . 1 1 13 13 SER H H 13 8.477 8.477 8.330 0.147 25693 4573 1 14 . 1 1 14 14 LEU N N 14 125.590 125.590 123.804 1.786 25693 4574 1 14 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.837 -0.021 25693 4575 1 14 . 1 1 14 14 LEU C C 14 176.497 176.497 175.534 0.963 25693 4576 1 14 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.361 0.707 25693 4577 1 14 . 1 1 14 14 LEU CB C 14 45.750 45.750 46.132 -0.382 25693 4578 1 14 . 1 1 14 14 LEU H H 14 9.031 9.031 9.091 -0.060 25693 4579 1 14 . 1 1 15 15 THR N N 15 121.083 121.083 117.392 3.691 25693 4580 1 14 . 1 1 15 15 THR HA H 15 4.870 4.870 4.759 0.111 25693 4581 1 14 . 1 1 15 15 THR C C 15 171.445 171.445 173.484 -2.039 25693 4582 1 14 . 1 1 15 15 THR CA C 15 62.607 62.607 61.803 0.804 25693 4583 1 14 . 1 1 15 15 THR CB C 15 70.127 70.127 70.022 0.105 25693 4584 1 14 . 1 1 15 15 THR H H 15 8.684 8.684 8.462 0.222 25693 4585 1 14 . 1 1 16 16 THR N N 16 117.142 117.142 117.542 -0.400 25693 4586 1 14 . 1 1 16 16 THR HA H 16 4.724 4.724 4.578 0.146 25693 4587 1 14 . 1 1 16 16 THR CA C 16 61.091 61.091 59.996 1.095 25693 4588 1 14 . 1 1 16 16 THR CB C 16 71.260 71.260 69.845 1.415 25693 4589 1 14 . 1 1 16 16 THR H H 16 8.114 8.114 8.555 -0.441 25693 4590 1 14 . 1 1 17 17 GLN N N 17 119.423 119.423 121.734 -2.311 25693 4591 1 14 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.135 0.362 25693 4592 1 14 . 1 1 17 17 GLN CA C 17 56.561 56.561 56.840 -0.279 25693 4593 1 14 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.373 0.470 25693 4594 1 14 . 1 1 17 17 GLN H H 17 8.260 8.260 8.512 -0.252 25693 4595 1 14 . 1 1 18 18 ARG N N 18 119.630 119.630 124.366 -4.736 25693 4596 1 14 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.231 0.276 25693 4597 1 14 . 1 1 18 18 ARG C C 18 177.434 177.434 175.938 1.496 25693 4598 1 14 . 1 1 18 18 ARG CA C 18 57.111 57.111 56.444 0.667 25693 4599 1 14 . 1 1 18 18 ARG CB C 18 30.895 30.895 29.377 1.518 25693 4600 1 14 . 1 1 18 18 ARG H H 18 8.190 8.190 8.518 -0.328 25693 4601 1 14 . 1 1 19 19 LEU N N 19 125.797 125.797 128.218 -2.421 25693 4602 1 14 . 1 1 19 19 LEU CA C 19 52.241 52.241 50.928 1.313 25693 4603 1 14 . 1 1 19 19 LEU CB C 19 43.403 43.403 44.497 -1.094 25693 4604 1 14 . 1 1 19 19 LEU H H 19 8.674 8.674 8.233 0.441 25693 4605 1 14 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.532 0.256 25693 4606 1 14 . 1 1 20 20 PRO C C 20 177.352 177.352 175.646 1.706 25693 4607 1 14 . 1 1 20 20 PRO CA C 20 63.146 63.146 63.549 -0.403 25693 4608 1 14 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.853 -2.361 25693 4609 1 14 . 1 1 21 21 VAL N N 21 119.308 119.308 117.841 1.467 25693 4610 1 14 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.532 -0.394 25693 4611 1 14 . 1 1 21 21 VAL CA C 21 61.308 61.308 59.903 1.405 25693 4612 1 14 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.985 -0.357 25693 4613 1 14 . 1 1 21 21 VAL H H 21 7.850 7.850 7.855 -0.005 25693 4614 1 14 . 1 1 22 22 SER N N 22 121.709 121.709 121.242 0.467 25693 4615 1 14 . 1 1 22 22 SER HA H 22 4.589 4.589 4.667 -0.078 25693 4616 1 14 . 1 1 22 22 SER C C 22 170.922 170.922 173.447 -2.525 25693 4617 1 14 . 1 1 22 22 SER CA C 22 59.316 59.316 58.061 1.255 25693 4618 1 14 . 1 1 22 22 SER CB C 22 64.576 64.576 62.266 2.310 25693 4619 1 14 . 1 1 22 22 SER H H 22 8.671 8.671 8.753 -0.082 25693 4620 1 14 . 1 1 23 23 ARG N N 23 120.473 120.473 122.264 -1.791 25693 4621 1 14 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.023 0.556 25693 4622 1 14 . 1 1 23 23 ARG C C 23 171.215 171.215 174.407 -3.192 25693 4623 1 14 . 1 1 23 23 ARG CA C 23 55.396 55.396 56.786 -1.390 25693 4624 1 14 . 1 1 23 23 ARG CB C 23 32.391 32.391 30.229 2.162 25693 4625 1 14 . 1 1 23 23 ARG H H 23 7.828 7.828 7.888 -0.060 25693 4626 1 14 . 1 1 24 24 ILE N N 24 120.563 120.563 120.810 -0.247 25693 4627 1 14 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.639 -0.204 25693 4628 1 14 . 1 1 24 24 ILE C C 24 176.100 176.100 176.771 -0.671 25693 4629 1 14 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.931 2.572 25693 4630 1 14 . 1 1 24 24 ILE CB C 24 39.509 39.509 37.289 2.220 25693 4631 1 14 . 1 1 24 24 ILE H H 24 8.085 8.085 8.224 -0.139 25693 4632 1 14 . 1 1 25 25 LYS N N 25 127.474 127.474 127.412 0.062 25693 4633 1 14 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.737 0.034 25693 4634 1 14 . 1 1 25 25 LYS C C 25 173.336 173.336 174.809 -1.473 25693 4635 1 14 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.726 0.394 25693 4636 1 14 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.723 0.102 25693 4637 1 14 . 1 1 25 25 LYS H H 25 8.526 8.526 8.121 0.405 25693 4638 1 14 . 1 1 26 26 THR N N 26 114.644 114.644 112.830 1.814 25693 4639 1 14 . 1 1 26 26 THR HA H 26 5.512 5.512 5.360 0.152 25693 4640 1 14 . 1 1 26 26 THR C C 26 169.422 169.422 174.016 -4.594 25693 4641 1 14 . 1 1 26 26 THR CA C 26 60.264 60.264 59.888 0.376 25693 4642 1 14 . 1 1 26 26 THR CB C 26 72.098 72.098 70.570 1.528 25693 4643 1 14 . 1 1 26 26 THR H H 26 7.998 7.998 8.118 -0.120 25693 4644 1 14 . 1 1 27 27 TYR N N 27 122.745 122.745 125.450 -2.705 25693 4645 1 14 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.636 0.241 25693 4646 1 14 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.325 0.006 25693 4647 1 14 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.570 1.031 25693 4648 1 14 . 1 1 27 27 TYR H H 27 8.848 8.848 8.596 0.252 25693 4649 1 14 . 1 1 28 28 THR N N 28 117.167 117.167 119.091 -1.924 25693 4650 1 14 . 1 1 28 28 THR HA H 28 5.005 5.005 5.474 -0.469 25693 4651 1 14 . 1 1 28 28 THR C C 28 169.027 169.027 173.746 -4.719 25693 4652 1 14 . 1 1 28 28 THR CA C 28 61.921 61.921 61.163 0.758 25693 4653 1 14 . 1 1 28 28 THR CB C 28 70.988 70.988 70.231 0.757 25693 4654 1 14 . 1 1 28 28 THR H H 28 8.532 8.532 8.390 0.142 25693 4655 1 14 . 1 1 29 29 ILE N N 29 124.474 124.474 127.930 -3.456 25693 4656 1 14 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.385 -0.033 25693 4657 1 14 . 1 1 29 29 ILE C C 29 171.747 171.747 175.199 -3.452 25693 4658 1 14 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.203 0.002 25693 4659 1 14 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.318 1.707 25693 4660 1 14 . 1 1 29 29 ILE H H 29 8.782 8.782 9.139 -0.357 25693 4661 1 14 . 1 1 30 30 THR N N 30 120.157 120.157 117.962 2.195 25693 4662 1 14 . 1 1 30 30 THR HA H 30 5.143 5.143 5.120 0.023 25693 4663 1 14 . 1 1 30 30 THR C C 30 170.054 170.054 174.050 -3.996 25693 4664 1 14 . 1 1 30 30 THR CA C 30 60.664 60.664 60.395 0.269 25693 4665 1 14 . 1 1 30 30 THR CB C 30 71.397 71.397 69.301 2.096 25693 4666 1 14 . 1 1 30 30 THR H H 30 8.475 8.475 8.478 -0.003 25693 4667 1 14 . 1 1 31 31 GLU N N 31 126.425 126.425 126.549 -0.124 25693 4668 1 14 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.526 0.125 25693 4669 1 14 . 1 1 31 31 GLU C C 31 176.004 176.004 176.816 -0.812 25693 4670 1 14 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.386 -0.173 25693 4671 1 14 . 1 1 31 31 GLU CB C 31 31.637 31.637 30.252 1.385 25693 4672 1 14 . 1 1 31 31 GLU H H 31 8.589 8.589 8.649 -0.060 25693 4673 1 14 . 1 1 32 32 GLY N N 32 116.534 116.534 116.256 0.278 25693 4674 1 14 . 1 1 32 32 GLY CA C 32 47.692 47.692 46.769 0.923 25693 4675 1 14 . 1 1 32 32 GLY H H 32 8.996 8.996 8.827 0.169 25693 4676 1 14 . 1 1 33 33 SER HA H 33 4.452 4.452 4.726 -0.274 25693 4677 1 14 . 1 1 33 33 SER C C 33 173.267 173.267 173.119 0.148 25693 4678 1 14 . 1 1 33 33 SER CA C 33 59.715 59.715 57.957 1.758 25693 4679 1 14 . 1 1 33 33 SER CB C 33 59.715 59.715 64.379 -4.663 25693 4680 1 14 . 1 1 34 34 LEU N N 34 116.305 116.305 124.026 -7.721 25693 4681 1 14 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.836 -0.175 25693 4682 1 14 . 1 1 34 34 LEU C C 34 173.314 173.314 174.585 -1.271 25693 4683 1 14 . 1 1 34 34 LEU CA C 34 55.304 55.304 53.859 1.445 25693 4684 1 14 . 1 1 34 34 LEU CB C 34 44.132 44.132 44.103 0.029 25693 4685 1 14 . 1 1 34 34 LEU H H 34 8.425 8.425 8.077 0.348 25693 4686 1 14 . 1 1 35 35 ARG N N 35 127.474 127.474 125.069 2.405 25693 4687 1 14 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.456 -0.265 25693 4688 1 14 . 1 1 35 35 ARG C C 35 175.720 175.720 174.616 1.104 25693 4689 1 14 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.335 0.969 25693 4690 1 14 . 1 1 35 35 ARG CB C 35 32.808 32.808 33.322 -0.514 25693 4691 1 14 . 1 1 35 35 ARG H H 35 8.560 8.560 9.156 -0.596 25693 4692 1 14 . 1 1 36 36 CYS N N 36 122.335 122.335 121.554 0.781 25693 4693 1 14 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.526 0.323 25693 4694 1 14 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.344 -1.505 25693 4695 1 14 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.767 19.298 25693 4696 1 14 . 1 1 36 36 CYS H H 36 9.179 9.179 9.028 0.151 25693 4697 1 14 . 1 1 37 37 VAL N N 37 122.327 122.327 128.153 -5.826 25693 4698 1 14 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.359 -0.606 25693 4699 1 14 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.515 0.591 25693 4700 1 14 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.844 0.315 25693 4701 1 14 . 1 1 37 37 VAL H H 37 9.308 9.308 9.203 0.105 25693 4702 1 14 . 1 1 38 38 ILE N N 38 126.295 126.295 127.132 -0.837 25693 4703 1 14 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.182 -0.334 25693 4704 1 14 . 1 1 38 38 ILE CA C 38 60.480 60.480 59.869 0.611 25693 4705 1 14 . 1 1 38 38 ILE CB C 38 40.891 40.891 39.858 1.033 25693 4706 1 14 . 1 1 38 38 ILE H H 38 9.014 9.014 8.970 0.044 25693 4707 1 14 . 1 1 39 39 PHE N N 39 124.882 124.882 127.605 -2.723 25693 4708 1 14 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.356 -0.049 25693 4709 1 14 . 1 1 39 39 PHE C C 39 174.855 174.855 175.750 -0.895 25693 4710 1 14 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.422 0.076 25693 4711 1 14 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.047 1.460 25693 4712 1 14 . 1 1 39 39 PHE H H 39 9.700 9.700 9.529 0.171 25693 4713 1 14 . 1 1 40 40 ILE N N 40 124.722 124.722 126.558 -1.836 25693 4714 1 14 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.463 0.259 25693 4715 1 14 . 1 1 40 40 ILE C C 40 173.603 173.603 175.187 -1.584 25693 4716 1 14 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.076 0.660 25693 4717 1 14 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.278 0.633 25693 4718 1 14 . 1 1 40 40 ILE H H 40 9.313 9.313 9.025 0.288 25693 4719 1 14 . 1 1 41 41 THR N N 41 116.571 116.571 118.193 -1.622 25693 4720 1 14 . 1 1 41 41 THR HA H 41 4.988 4.988 4.900 0.088 25693 4721 1 14 . 1 1 41 41 THR C C 41 171.363 171.363 175.015 -3.652 25693 4722 1 14 . 1 1 41 41 THR CA C 41 59.776 59.776 59.731 0.045 25693 4723 1 14 . 1 1 41 41 THR CB C 41 72.930 72.930 72.125 0.805 25693 4724 1 14 . 1 1 41 41 THR H H 41 8.593 8.593 8.963 -0.370 25693 4725 1 14 . 1 1 42 42 LYS N N 42 116.228 116.228 121.930 -5.702 25693 4726 1 14 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.489 -0.082 25693 4727 1 14 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.728 1.772 25693 4728 1 14 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.238 2.095 25693 4729 1 14 . 1 1 42 42 LYS H H 42 8.597 8.597 8.844 -0.247 25693 4730 1 14 . 1 1 43 43 ARG N N 43 113.916 113.916 116.564 -2.648 25693 4731 1 14 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.531 0.120 25693 4732 1 14 . 1 1 43 43 ARG C C 43 176.160 176.160 175.561 0.599 25693 4733 1 14 . 1 1 43 43 ARG CA C 43 55.212 55.212 56.155 -0.943 25693 4734 1 14 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.705 -1.155 25693 4735 1 14 . 1 1 43 43 ARG H H 43 7.753 7.753 7.442 0.311 25693 4736 1 14 . 1 1 44 44 GLY N N 44 107.712 107.712 105.459 2.253 25693 4737 1 14 . 1 1 44 44 GLY C C 44 163.798 163.798 171.961 -8.163 25693 4738 1 14 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.557 0.565 25693 4739 1 14 . 1 1 44 44 GLY H H 44 7.498 7.498 7.633 -0.135 25693 4740 1 14 . 1 1 45 45 LEU N N 45 120.948 120.948 120.208 0.740 25693 4741 1 14 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.331 0.200 25693 4742 1 14 . 1 1 45 45 LEU C C 45 175.801 175.801 174.851 0.950 25693 4743 1 14 . 1 1 45 45 LEU CA C 45 54.201 54.201 53.682 0.519 25693 4744 1 14 . 1 1 45 45 LEU CB C 45 47.446 47.446 47.040 0.406 25693 4745 1 14 . 1 1 45 45 LEU H H 45 8.374 8.374 8.883 -0.509 25693 4746 1 14 . 1 1 46 46 LYS N N 46 124.968 124.968 123.463 1.505 25693 4747 1 14 . 1 1 46 46 LYS HA H 46 5.333 5.333 4.966 0.367 25693 4748 1 14 . 1 1 46 46 LYS C C 46 171.169 171.169 174.156 -2.987 25693 4749 1 14 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.383 0.472 25693 4750 1 14 . 1 1 46 46 LYS CB C 46 36.746 36.746 36.323 0.423 25693 4751 1 14 . 1 1 46 46 LYS H H 46 9.115 9.115 8.968 0.147 25693 4752 1 14 . 1 1 47 47 VAL N N 47 126.006 126.006 126.850 -0.844 25693 4753 1 14 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.127 0.126 25693 4754 1 14 . 1 1 47 47 VAL C C 47 173.892 173.892 173.127 0.765 25693 4755 1 14 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.923 1.017 25693 4756 1 14 . 1 1 47 47 VAL CB C 47 34.851 34.851 34.805 0.046 25693 4757 1 14 . 1 1 47 47 VAL H H 47 9.221 9.221 9.066 0.155 25693 4758 1 14 . 1 1 48 48 CYS N N 48 123.279 123.279 128.653 -5.374 25693 4759 1 14 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.019 1.021 25693 4760 1 14 . 1 1 48 48 CYS C C 48 172.554 172.554 173.785 -1.231 25693 4761 1 14 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.123 -2.942 25693 4762 1 14 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.205 20.457 25693 4763 1 14 . 1 1 48 48 CYS H H 48 9.201 9.201 9.242 -0.041 25693 4764 1 14 . 1 1 49 49 CYS N N 49 119.872 119.872 128.478 -8.606 25693 4765 1 14 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.199 0.480 25693 4766 1 14 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.582 -2.368 25693 4767 1 14 . 1 1 49 49 CYS CB C 49 48.015 48.015 28.103 19.912 25693 4768 1 14 . 1 1 49 49 CYS H H 49 9.117 9.117 9.040 0.077 25693 4769 1 14 . 1 1 50 50 ASP N N 50 123.093 123.093 123.958 -0.865 25693 4770 1 14 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.220 -0.058 25693 4771 1 14 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.481 1.388 25693 4772 1 14 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.549 -1.711 25693 4773 1 14 . 1 1 50 50 ASP H H 50 8.837 8.837 9.253 -0.416 25693 4774 1 14 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.702 0.023 25693 4775 1 14 . 1 1 51 51 PRO C C 51 178.489 178.489 176.146 2.343 25693 4776 1 14 . 1 1 51 51 PRO CA C 51 63.575 63.575 62.896 0.679 25693 4777 1 14 . 1 1 51 51 PRO CB C 51 32.550 32.550 30.387 2.163 25693 4778 1 14 . 1 1 52 52 GLN N N 52 120.594 120.594 113.008 7.586 25693 4779 1 14 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.038 0.330 25693 4780 1 14 . 1 1 52 52 GLN C C 52 175.779 175.779 174.869 0.910 25693 4781 1 14 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.962 -0.807 25693 4782 1 14 . 1 1 52 52 GLN CB C 52 30.069 30.069 25.620 4.449 25693 4783 1 14 . 1 1 52 52 GLN H H 52 8.504 8.504 8.190 0.314 25693 4784 1 14 . 1 1 53 53 ALA N N 53 124.936 124.936 119.567 5.369 25693 4785 1 14 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.658 -0.316 25693 4786 1 14 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.104 0.110 25693 4787 1 14 . 1 1 53 53 ALA CB C 53 19.978 19.978 20.820 -0.842 25693 4788 1 14 . 1 1 53 53 ALA H H 53 8.290 8.290 9.272 -0.982 25693 4789 1 14 . 1 1 54 54 THR N N 54 112.200 112.200 113.286 -1.086 25693 4790 1 14 . 1 1 54 54 THR HA H 54 4.318 4.318 4.272 0.046 25693 4791 1 14 . 1 1 54 54 THR CA C 54 62.594 62.594 64.169 -1.575 25693 4792 1 14 . 1 1 54 54 THR CB C 54 70.341 70.341 69.729 0.612 25693 4793 1 14 . 1 1 54 54 THR H H 54 8.011 8.011 8.433 -0.422 25693 4794 1 14 . 1 1 55 55 TRP N N 55 122.937 122.937 121.425 1.512 25693 4795 1 14 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.569 0.234 25693 4796 1 14 . 1 1 55 55 TRP C C 55 176.602 176.602 175.733 0.869 25693 4797 1 14 . 1 1 55 55 TRP CA C 55 57.651 57.651 58.684 -1.033 25693 4798 1 14 . 1 1 55 55 TRP CB C 55 30.105 30.105 30.265 -0.160 25693 4799 1 14 . 1 1 55 55 TRP H H 55 7.979 7.979 8.004 -0.025 25693 4800 1 14 . 1 1 56 56 VAL N N 56 121.829 121.829 115.885 5.944 25693 4801 1 14 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.284 -0.253 25693 4802 1 14 . 1 1 56 56 VAL C C 56 175.779 175.779 173.755 2.024 25693 4803 1 14 . 1 1 56 56 VAL CA C 56 63.060 63.060 61.557 1.502 25693 4804 1 14 . 1 1 56 56 VAL CB C 56 33.012 33.012 33.826 -0.814 25693 4805 1 14 . 1 1 56 56 VAL H H 56 7.817 7.817 7.617 0.200 25693 4806 1 14 . 1 1 57 57 ARG N N 57 123.817 123.817 125.999 -2.182 25693 4807 1 14 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.497 -0.192 25693 4808 1 14 . 1 1 57 57 ARG C C 57 176.484 176.484 174.634 1.850 25693 4809 1 14 . 1 1 57 57 ARG CA C 57 56.741 56.741 56.202 0.539 25693 4810 1 14 . 1 1 57 57 ARG CB C 57 31.502 31.502 31.843 -0.341 25693 4811 1 14 . 1 1 57 57 ARG H H 57 8.087 8.087 8.518 -0.431 25693 4812 1 14 . 1 1 58 58 ASP N N 58 121.452 121.452 117.005 4.447 25693 4813 1 14 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.699 0.018 25693 4814 1 14 . 1 1 58 58 ASP C C 58 177.508 177.508 174.279 3.229 25693 4815 1 14 . 1 1 58 58 ASP CA C 58 54.966 54.966 54.009 0.957 25693 4816 1 14 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.703 0.318 25693 4817 1 14 . 1 1 58 58 ASP H H 58 8.240 8.240 7.746 0.494 25693 4818 1 14 . 1 1 59 59 VAL N N 59 120.104 120.104 120.885 -0.781 25693 4819 1 14 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.134 0.033 25693 4820 1 14 . 1 1 59 59 VAL C C 59 177.636 177.636 174.555 3.081 25693 4821 1 14 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.871 0.275 25693 4822 1 14 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.793 0.584 25693 4823 1 14 . 1 1 59 59 VAL H H 59 8.059 8.059 8.062 -0.003 25693 4824 1 14 . 1 1 60 60 VAL N N 60 123.394 123.394 124.436 -1.042 25693 4825 1 14 . 1 1 60 60 VAL HA H 60 4.143 4.143 4.267 -0.124 25693 4826 1 14 . 1 1 60 60 VAL C C 60 177.956 177.956 174.629 3.327 25693 4827 1 14 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.339 1.113 25693 4828 1 14 . 1 1 60 60 VAL CB C 60 33.012 33.012 31.042 1.970 25693 4829 1 14 . 1 1 60 60 VAL H H 60 8.115 8.115 7.952 0.163 25693 4830 1 14 . 1 1 61 61 ARG N N 61 124.402 124.402 128.379 -3.977 25693 4831 1 14 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.699 -0.066 25693 4832 1 14 . 1 1 61 61 ARG C C 61 177.786 177.786 175.486 2.300 25693 4833 1 14 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.623 1.090 25693 4834 1 14 . 1 1 61 61 ARG CB C 61 31.306 31.306 31.378 -0.072 25693 4835 1 14 . 1 1 61 61 ARG H H 61 8.350 8.350 8.378 -0.028 25693 4836 1 14 . 1 1 62 62 SER N N 62 121.629 121.629 118.997 2.632 25693 4837 1 14 . 1 1 62 62 SER HA H 62 4.579 4.579 4.615 -0.036 25693 4838 1 14 . 1 1 62 62 SER C C 62 177.687 177.687 173.817 3.870 25693 4839 1 14 . 1 1 62 62 SER CA C 62 56.270 56.270 57.828 -1.558 25693 4840 1 14 . 1 1 62 62 SER CB C 62 70.537 70.537 64.663 5.874 25693 4841 1 14 . 1 1 62 62 SER H H 62 8.253 8.253 8.506 -0.253 25693 4842 1 14 . 1 1 63 63 MET N N 63 121.452 121.452 125.594 -4.142 25693 4843 1 14 . 1 1 63 63 MET HA H 63 4.706 4.706 4.413 0.293 25693 4844 1 14 . 1 1 63 63 MET C C 63 177.252 177.252 175.688 1.564 25693 4845 1 14 . 1 1 63 63 MET CA C 63 54.861 54.861 55.393 -0.532 25693 4846 1 14 . 1 1 63 63 MET CB C 63 31.514 31.514 32.752 -1.238 25693 4847 1 14 . 1 1 63 63 MET H H 63 8.245 8.245 8.461 -0.216 25693 4848 1 14 . 1 1 64 64 ASP N N 64 120.811 120.811 125.604 -4.793 25693 4849 1 14 . 1 1 64 64 ASP C C 64 177.786 177.786 175.995 1.791 25693 4850 1 14 . 1 1 64 64 ASP CA C 64 56.468 56.468 54.108 2.360 25693 4851 1 14 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.224 -8.847 25693 4852 1 14 . 1 1 64 64 ASP H H 64 8.251 8.251 8.674 -0.423 25693 4853 1 14 . 1 1 65 65 ARG N N 65 120.563 120.563 126.258 -5.695 25693 4854 1 14 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.229 0.240 25693 4855 1 14 . 1 1 65 65 ARG C C 65 179.397 179.397 176.397 3.000 25693 4856 1 14 . 1 1 65 65 ARG CA C 65 57.080 57.080 57.547 -0.467 25693 4857 1 14 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.892 2.618 25693 4858 1 14 . 1 1 65 65 ARG H H 65 8.145 8.145 8.835 -0.690 25693 4859 1 15 . 1 1 2 2 GLY C C 2 176.333 176.333 174.306 2.027 25693 4860 1 15 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.661 8.220 25693 4861 1 15 . 1 1 3 3 SER N N 3 119.606 119.606 115.658 3.948 25693 4862 1 15 . 1 1 3 3 SER C C 3 171.619 171.619 175.610 -3.991 25693 4863 1 15 . 1 1 3 3 SER CA C 3 62.684 62.684 60.061 2.623 25693 4864 1 15 . 1 1 3 3 SER CB C 3 62.684 62.684 63.941 -1.257 25693 4865 1 15 . 1 1 3 3 SER H H 3 8.031 8.031 8.678 -0.647 25693 4866 1 15 . 1 1 4 4 GLU N N 4 122.937 122.937 119.935 3.002 25693 4867 1 15 . 1 1 4 4 GLU C C 4 178.452 178.452 175.932 2.520 25693 4868 1 15 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.630 0.757 25693 4869 1 15 . 1 1 4 4 GLU CB C 4 30.575 30.575 30.823 -0.248 25693 4870 1 15 . 1 1 4 4 GLU H H 4 7.979 7.979 8.198 -0.219 25693 4871 1 15 . 1 1 5 5 VAL N N 5 120.522 120.522 117.089 3.433 25693 4872 1 15 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.476 -0.207 25693 4873 1 15 . 1 1 5 5 VAL CA C 5 62.840 62.840 61.906 0.934 25693 4874 1 15 . 1 1 5 5 VAL CB C 5 33.194 33.194 31.811 1.383 25693 4875 1 15 . 1 1 5 5 VAL H H 5 8.185 8.185 8.015 0.170 25693 4876 1 15 . 1 1 6 6 SER N N 6 119.109 119.109 120.774 -1.665 25693 4877 1 15 . 1 1 6 6 SER HA H 6 4.560 4.560 4.382 0.178 25693 4878 1 15 . 1 1 6 6 SER CA C 6 58.826 58.826 59.281 -0.455 25693 4879 1 15 . 1 1 6 6 SER CB C 6 64.865 64.865 64.056 0.809 25693 4880 1 15 . 1 1 6 6 SER H H 6 8.340 8.340 8.742 -0.402 25693 4881 1 15 . 1 1 7 7 ASP N N 7 122.786 122.786 122.270 0.516 25693 4882 1 15 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.636 0.070 25693 4883 1 15 . 1 1 7 7 ASP C C 7 177.572 177.572 175.237 2.335 25693 4884 1 15 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.131 0.805 25693 4885 1 15 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.805 0.179 25693 4886 1 15 . 1 1 7 7 ASP H H 7 8.347 8.347 8.184 0.163 25693 4887 1 15 . 1 1 8 8 LYS N N 8 119.939 119.939 123.353 -3.414 25693 4888 1 15 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.338 0.069 25693 4889 1 15 . 1 1 8 8 LYS C C 8 178.323 178.323 176.613 1.710 25693 4890 1 15 . 1 1 8 8 LYS CA C 8 56.844 56.844 55.699 1.145 25693 4891 1 15 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.738 -2.662 25693 4892 1 15 . 1 1 8 8 LYS H H 8 8.060 8.060 8.488 -0.428 25693 4893 1 15 . 1 1 9 9 ARG N N 9 121.813 121.813 125.568 -3.755 25693 4894 1 15 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.318 0.151 25693 4895 1 15 . 1 1 9 9 ARG C C 9 178.148 178.148 175.583 2.565 25693 4896 1 15 . 1 1 9 9 ARG CA C 9 56.779 56.779 56.723 0.056 25693 4897 1 15 . 1 1 9 9 ARG CB C 9 31.062 31.062 28.779 2.283 25693 4898 1 15 . 1 1 9 9 ARG H H 9 8.352 8.352 8.610 -0.258 25693 4899 1 15 . 1 1 10 10 THR N N 10 116.680 116.680 120.875 -4.195 25693 4900 1 15 . 1 1 10 10 THR HA H 10 4.487 4.487 4.559 -0.072 25693 4901 1 15 . 1 1 10 10 THR CA C 10 59.286 59.286 61.622 -2.336 25693 4902 1 15 . 1 1 10 10 THR CB C 10 64.412 64.412 71.514 -7.102 25693 4903 1 15 . 1 1 10 10 THR H H 10 8.263 8.263 8.060 0.203 25693 4904 1 15 . 1 1 11 11 CYS N N 11 124.443 124.443 121.575 2.868 25693 4905 1 15 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.722 1.570 25693 4906 1 15 . 1 1 11 11 CYS C C 11 169.873 169.873 174.093 -4.220 25693 4907 1 15 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.923 -2.313 25693 4908 1 15 . 1 1 11 11 CYS CB C 11 44.241 44.241 29.878 14.363 25693 4909 1 15 . 1 1 11 11 CYS H H 11 8.166 8.166 8.548 -0.382 25693 4910 1 15 . 1 1 12 12 VAL N N 12 118.379 118.379 121.628 -3.249 25693 4911 1 15 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.603 0.110 25693 4912 1 15 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.899 0.071 25693 4913 1 15 . 1 1 12 12 VAL CB C 12 35.720 35.720 34.106 1.614 25693 4914 1 15 . 1 1 12 12 VAL H H 12 9.190 9.190 9.199 -0.009 25693 4915 1 15 . 1 1 13 13 SER N N 13 118.231 118.231 120.515 -2.284 25693 4916 1 15 . 1 1 13 13 SER HA H 13 5.457 5.457 5.194 0.263 25693 4917 1 15 . 1 1 13 13 SER CA C 13 57.815 57.815 57.411 0.404 25693 4918 1 15 . 1 1 13 13 SER CB C 13 66.744 66.744 65.516 1.228 25693 4919 1 15 . 1 1 13 13 SER H H 13 8.477 8.477 8.415 0.062 25693 4920 1 15 . 1 1 14 14 LEU N N 14 125.590 125.590 126.459 -0.869 25693 4921 1 15 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.720 0.096 25693 4922 1 15 . 1 1 14 14 LEU C C 14 176.497 176.497 175.473 1.024 25693 4923 1 15 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.259 0.809 25693 4924 1 15 . 1 1 14 14 LEU CB C 14 45.750 45.750 45.400 0.350 25693 4925 1 15 . 1 1 14 14 LEU H H 14 9.031 9.031 9.087 -0.056 25693 4926 1 15 . 1 1 15 15 THR N N 15 121.083 121.083 118.020 3.063 25693 4927 1 15 . 1 1 15 15 THR HA H 15 4.870 4.870 4.800 0.070 25693 4928 1 15 . 1 1 15 15 THR C C 15 171.445 171.445 173.754 -2.309 25693 4929 1 15 . 1 1 15 15 THR CA C 15 62.607 62.607 61.674 0.933 25693 4930 1 15 . 1 1 15 15 THR CB C 15 70.127 70.127 70.243 -0.116 25693 4931 1 15 . 1 1 15 15 THR H H 15 8.684 8.684 8.460 0.224 25693 4932 1 15 . 1 1 16 16 THR N N 16 117.142 117.142 119.753 -2.611 25693 4933 1 15 . 1 1 16 16 THR HA H 16 4.724 4.724 4.616 0.108 25693 4934 1 15 . 1 1 16 16 THR CA C 16 61.091 61.091 59.133 1.958 25693 4935 1 15 . 1 1 16 16 THR CB C 16 71.260 71.260 70.146 1.114 25693 4936 1 15 . 1 1 16 16 THR H H 16 8.114 8.114 8.741 -0.627 25693 4937 1 15 . 1 1 17 17 GLN N N 17 119.423 119.423 121.112 -1.689 25693 4938 1 15 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.088 0.409 25693 4939 1 15 . 1 1 17 17 GLN CA C 17 56.561 56.561 58.269 -1.708 25693 4940 1 15 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.823 1.021 25693 4941 1 15 . 1 1 17 17 GLN H H 17 8.260 8.260 8.746 -0.486 25693 4942 1 15 . 1 1 18 18 ARG N N 18 119.630 119.630 116.056 3.574 25693 4943 1 15 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.484 0.023 25693 4944 1 15 . 1 1 18 18 ARG C C 18 177.434 177.434 174.267 3.167 25693 4945 1 15 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.591 1.520 25693 4946 1 15 . 1 1 18 18 ARG CB C 18 30.895 30.895 31.081 -0.186 25693 4947 1 15 . 1 1 18 18 ARG H H 18 8.190 8.190 8.146 0.044 25693 4948 1 15 . 1 1 19 19 LEU N N 19 125.797 125.797 124.897 0.900 25693 4949 1 15 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.546 0.695 25693 4950 1 15 . 1 1 19 19 LEU CB C 19 43.403 43.403 43.365 0.038 25693 4951 1 15 . 1 1 19 19 LEU H H 19 8.674 8.674 8.297 0.377 25693 4952 1 15 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.500 0.288 25693 4953 1 15 . 1 1 20 20 PRO C C 20 177.352 177.352 176.062 1.290 25693 4954 1 15 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.801 0.345 25693 4955 1 15 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.109 -2.617 25693 4956 1 15 . 1 1 21 21 VAL N N 21 119.308 119.308 117.695 1.613 25693 4957 1 15 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.451 -0.313 25693 4958 1 15 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.296 1.012 25693 4959 1 15 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.758 -0.130 25693 4960 1 15 . 1 1 21 21 VAL H H 21 7.850 7.850 7.815 0.035 25693 4961 1 15 . 1 1 22 22 SER N N 22 121.709 121.709 116.701 5.008 25693 4962 1 15 . 1 1 22 22 SER HA H 22 4.589 4.589 4.466 0.123 25693 4963 1 15 . 1 1 22 22 SER C C 22 170.922 170.922 174.468 -3.546 25693 4964 1 15 . 1 1 22 22 SER CA C 22 59.316 59.316 59.465 -0.149 25693 4965 1 15 . 1 1 22 22 SER CB C 22 64.576 64.576 63.611 0.965 25693 4966 1 15 . 1 1 22 22 SER H H 22 8.671 8.671 8.530 0.141 25693 4967 1 15 . 1 1 23 23 ARG N N 23 120.473 120.473 120.284 0.189 25693 4968 1 15 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.503 0.076 25693 4969 1 15 . 1 1 23 23 ARG C C 23 171.215 171.215 174.738 -3.523 25693 4970 1 15 . 1 1 23 23 ARG CA C 23 55.396 55.396 54.450 0.946 25693 4971 1 15 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.267 0.124 25693 4972 1 15 . 1 1 23 23 ARG H H 23 7.828 7.828 7.782 0.046 25693 4973 1 15 . 1 1 24 24 ILE N N 24 120.563 120.563 122.763 -2.200 25693 4974 1 15 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.632 -0.197 25693 4975 1 15 . 1 1 24 24 ILE C C 24 176.100 176.100 176.544 -0.444 25693 4976 1 15 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.715 2.788 25693 4977 1 15 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.667 2.842 25693 4978 1 15 . 1 1 24 24 ILE H H 24 8.085 8.085 8.480 -0.395 25693 4979 1 15 . 1 1 25 25 LYS N N 25 127.474 127.474 128.453 -0.979 25693 4980 1 15 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.768 0.003 25693 4981 1 15 . 1 1 25 25 LYS C C 25 173.336 173.336 174.847 -1.511 25693 4982 1 15 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.544 0.576 25693 4983 1 15 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.199 0.626 25693 4984 1 15 . 1 1 25 25 LYS H H 25 8.526 8.526 8.250 0.276 25693 4985 1 15 . 1 1 26 26 THR N N 26 114.644 114.644 111.911 2.733 25693 4986 1 15 . 1 1 26 26 THR HA H 26 5.512 5.512 5.483 0.029 25693 4987 1 15 . 1 1 26 26 THR C C 26 169.422 169.422 173.902 -4.480 25693 4988 1 15 . 1 1 26 26 THR CA C 26 60.264 60.264 60.272 -0.008 25693 4989 1 15 . 1 1 26 26 THR CB C 26 72.098 72.098 70.694 1.404 25693 4990 1 15 . 1 1 26 26 THR H H 26 7.998 7.998 8.019 -0.021 25693 4991 1 15 . 1 1 27 27 TYR N N 27 122.745 122.745 125.592 -2.847 25693 4992 1 15 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.677 0.200 25693 4993 1 15 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.308 0.023 25693 4994 1 15 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.597 1.004 25693 4995 1 15 . 1 1 27 27 TYR H H 27 8.848 8.848 8.531 0.317 25693 4996 1 15 . 1 1 28 28 THR N N 28 117.167 117.167 119.504 -2.337 25693 4997 1 15 . 1 1 28 28 THR HA H 28 5.005 5.005 5.535 -0.530 25693 4998 1 15 . 1 1 28 28 THR C C 28 169.027 169.027 173.881 -4.854 25693 4999 1 15 . 1 1 28 28 THR CA C 28 61.921 61.921 61.270 0.651 25693 5000 1 15 . 1 1 28 28 THR CB C 28 70.988 70.988 70.102 0.886 25693 5001 1 15 . 1 1 28 28 THR H H 28 8.532 8.532 8.506 0.026 25693 5002 1 15 . 1 1 29 29 ILE N N 29 124.474 124.474 128.266 -3.792 25693 5003 1 15 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.357 -0.005 25693 5004 1 15 . 1 1 29 29 ILE C C 29 171.747 171.747 175.054 -3.307 25693 5005 1 15 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.416 -0.211 25693 5006 1 15 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.819 1.206 25693 5007 1 15 . 1 1 29 29 ILE H H 29 8.782 8.782 9.066 -0.284 25693 5008 1 15 . 1 1 30 30 THR N N 30 120.157 120.157 119.090 1.067 25693 5009 1 15 . 1 1 30 30 THR HA H 30 5.143 5.143 5.074 0.069 25693 5010 1 15 . 1 1 30 30 THR C C 30 170.054 170.054 173.745 -3.691 25693 5011 1 15 . 1 1 30 30 THR CA C 30 60.664 60.664 60.168 0.496 25693 5012 1 15 . 1 1 30 30 THR CB C 30 71.397 71.397 69.344 2.053 25693 5013 1 15 . 1 1 30 30 THR H H 30 8.475 8.475 8.575 -0.100 25693 5014 1 15 . 1 1 31 31 GLU N N 31 126.425 126.425 125.142 1.283 25693 5015 1 15 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.473 0.178 25693 5016 1 15 . 1 1 31 31 GLU C C 31 176.004 176.004 177.030 -1.026 25693 5017 1 15 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.496 -0.284 25693 5018 1 15 . 1 1 31 31 GLU CB C 31 31.637 31.637 30.104 1.533 25693 5019 1 15 . 1 1 31 31 GLU H H 31 8.589 8.589 8.093 0.496 25693 5020 1 15 . 1 1 32 32 GLY N N 32 116.534 116.534 114.195 2.339 25693 5021 1 15 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.357 2.335 25693 5022 1 15 . 1 1 32 32 GLY H H 32 8.996 8.996 8.675 0.321 25693 5023 1 15 . 1 1 33 33 SER HA H 33 4.452 4.452 4.049 0.403 25693 5024 1 15 . 1 1 33 33 SER C C 33 173.267 173.267 173.171 0.096 25693 5025 1 15 . 1 1 33 33 SER CA C 33 59.715 59.715 58.779 0.936 25693 5026 1 15 . 1 1 33 33 SER CB C 33 59.715 59.715 62.945 -3.230 25693 5027 1 15 . 1 1 34 34 LEU N N 34 116.305 116.305 120.503 -4.198 25693 5028 1 15 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.814 -0.153 25693 5029 1 15 . 1 1 34 34 LEU C C 34 173.314 173.314 174.570 -1.256 25693 5030 1 15 . 1 1 34 34 LEU CA C 34 55.304 55.304 55.201 0.103 25693 5031 1 15 . 1 1 34 34 LEU CB C 34 44.132 44.132 45.673 -1.541 25693 5032 1 15 . 1 1 34 34 LEU H H 34 8.425 8.425 7.893 0.532 25693 5033 1 15 . 1 1 35 35 ARG N N 35 127.474 127.474 123.610 3.864 25693 5034 1 15 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.374 -0.183 25693 5035 1 15 . 1 1 35 35 ARG C C 35 175.720 175.720 174.660 1.060 25693 5036 1 15 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.588 0.716 25693 5037 1 15 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.409 0.399 25693 5038 1 15 . 1 1 35 35 ARG H H 35 8.560 8.560 9.252 -0.692 25693 5039 1 15 . 1 1 36 36 CYS N N 36 122.335 122.335 124.925 -2.590 25693 5040 1 15 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.632 0.217 25693 5041 1 15 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.019 -1.180 25693 5042 1 15 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.401 19.664 25693 5043 1 15 . 1 1 36 36 CYS H H 36 9.179 9.179 9.242 -0.063 25693 5044 1 15 . 1 1 37 37 VAL N N 37 122.327 122.327 128.412 -6.085 25693 5045 1 15 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.073 -0.320 25693 5046 1 15 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.873 0.233 25693 5047 1 15 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.463 0.696 25693 5048 1 15 . 1 1 37 37 VAL H H 37 9.308 9.308 9.157 0.151 25693 5049 1 15 . 1 1 38 38 ILE N N 38 126.295 126.295 126.435 -0.140 25693 5050 1 15 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.955 -0.107 25693 5051 1 15 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.149 0.331 25693 5052 1 15 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.016 0.875 25693 5053 1 15 . 1 1 38 38 ILE H H 38 9.014 9.014 8.943 0.071 25693 5054 1 15 . 1 1 39 39 PHE N N 39 124.882 124.882 127.583 -2.701 25693 5055 1 15 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.174 0.133 25693 5056 1 15 . 1 1 39 39 PHE C C 39 174.855 174.855 175.432 -0.577 25693 5057 1 15 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.661 -0.163 25693 5058 1 15 . 1 1 39 39 PHE CB C 39 41.507 41.507 39.917 1.590 25693 5059 1 15 . 1 1 39 39 PHE H H 39 9.700 9.700 9.659 0.041 25693 5060 1 15 . 1 1 40 40 ILE N N 40 124.722 124.722 127.035 -2.313 25693 5061 1 15 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.408 0.314 25693 5062 1 15 . 1 1 40 40 ILE C C 40 173.603 173.603 175.170 -1.567 25693 5063 1 15 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.197 0.540 25693 5064 1 15 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.051 0.860 25693 5065 1 15 . 1 1 40 40 ILE H H 40 9.313 9.313 9.141 0.172 25693 5066 1 15 . 1 1 41 41 THR N N 41 116.571 116.571 118.368 -1.797 25693 5067 1 15 . 1 1 41 41 THR HA H 41 4.988 4.988 4.805 0.183 25693 5068 1 15 . 1 1 41 41 THR C C 41 171.363 171.363 175.130 -3.767 25693 5069 1 15 . 1 1 41 41 THR CA C 41 59.776 59.776 59.578 0.198 25693 5070 1 15 . 1 1 41 41 THR CB C 41 72.930 72.930 71.936 0.994 25693 5071 1 15 . 1 1 41 41 THR H H 41 8.593 8.593 9.009 -0.416 25693 5072 1 15 . 1 1 42 42 LYS N N 42 116.228 116.228 120.961 -4.733 25693 5073 1 15 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.474 -0.067 25693 5074 1 15 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.415 2.085 25693 5075 1 15 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.001 2.332 25693 5076 1 15 . 1 1 42 42 LYS H H 42 8.597 8.597 8.792 -0.195 25693 5077 1 15 . 1 1 43 43 ARG N N 43 113.916 113.916 116.519 -2.603 25693 5078 1 15 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.555 0.096 25693 5079 1 15 . 1 1 43 43 ARG C C 43 176.160 176.160 175.299 0.861 25693 5080 1 15 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.629 -0.417 25693 5081 1 15 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.709 -1.159 25693 5082 1 15 . 1 1 43 43 ARG H H 43 7.753 7.753 7.547 0.206 25693 5083 1 15 . 1 1 44 44 GLY N N 44 107.712 107.712 106.038 1.674 25693 5084 1 15 . 1 1 44 44 GLY C C 44 163.798 163.798 171.813 -8.015 25693 5085 1 15 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.773 0.349 25693 5086 1 15 . 1 1 44 44 GLY H H 44 7.498 7.498 7.625 -0.127 25693 5087 1 15 . 1 1 45 45 LEU N N 45 120.948 120.948 120.280 0.668 25693 5088 1 15 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.311 0.220 25693 5089 1 15 . 1 1 45 45 LEU C C 45 175.801 175.801 174.898 0.903 25693 5090 1 15 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.283 -0.082 25693 5091 1 15 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.894 0.552 25693 5092 1 15 . 1 1 45 45 LEU H H 45 8.374 8.374 8.659 -0.285 25693 5093 1 15 . 1 1 46 46 LYS N N 46 124.968 124.968 124.419 0.549 25693 5094 1 15 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.000 0.333 25693 5095 1 15 . 1 1 46 46 LYS C C 46 171.169 171.169 174.126 -2.957 25693 5096 1 15 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.326 0.529 25693 5097 1 15 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.691 1.055 25693 5098 1 15 . 1 1 46 46 LYS H H 46 9.115 9.115 9.203 -0.088 25693 5099 1 15 . 1 1 47 47 VAL N N 47 126.006 126.006 126.725 -0.719 25693 5100 1 15 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.198 0.055 25693 5101 1 15 . 1 1 47 47 VAL C C 47 173.892 173.892 173.126 0.766 25693 5102 1 15 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.762 1.178 25693 5103 1 15 . 1 1 47 47 VAL CB C 47 34.851 34.851 35.411 -0.560 25693 5104 1 15 . 1 1 47 47 VAL H H 47 9.221 9.221 9.135 0.086 25693 5105 1 15 . 1 1 48 48 CYS N N 48 123.279 123.279 128.231 -4.952 25693 5106 1 15 . 1 1 48 48 CYS HA H 48 6.040 6.040 4.993 1.047 25693 5107 1 15 . 1 1 48 48 CYS C C 48 172.554 172.554 173.738 -1.184 25693 5108 1 15 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.216 -3.035 25693 5109 1 15 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.026 20.636 25693 5110 1 15 . 1 1 48 48 CYS H H 48 9.201 9.201 9.012 0.189 25693 5111 1 15 . 1 1 49 49 CYS N N 49 119.872 119.872 128.347 -8.475 25693 5112 1 15 . 1 1 49 49 CYS HA H 49 5.679 5.679 4.930 0.749 25693 5113 1 15 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.863 -2.649 25693 5114 1 15 . 1 1 49 49 CYS CB C 49 48.015 48.015 28.246 19.769 25693 5115 1 15 . 1 1 49 49 CYS H H 49 9.117 9.117 8.920 0.197 25693 5116 1 15 . 1 1 50 50 ASP N N 50 123.093 123.093 123.583 -0.490 25693 5117 1 15 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.205 -0.043 25693 5118 1 15 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.083 1.786 25693 5119 1 15 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.162 -1.324 25693 5120 1 15 . 1 1 50 50 ASP H H 50 8.837 8.837 9.049 -0.212 25693 5121 1 15 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.532 0.193 25693 5122 1 15 . 1 1 51 51 PRO C C 51 178.489 178.489 176.271 2.218 25693 5123 1 15 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.469 0.105 25693 5124 1 15 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.793 0.757 25693 5125 1 15 . 1 1 52 52 GLN N N 52 120.594 120.594 113.908 6.686 25693 5126 1 15 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.165 0.203 25693 5127 1 15 . 1 1 52 52 GLN C C 52 175.779 175.779 175.357 0.422 25693 5128 1 15 . 1 1 52 52 GLN CA C 52 56.155 56.155 57.143 -0.988 25693 5129 1 15 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.332 3.737 25693 5130 1 15 . 1 1 52 52 GLN H H 52 8.504 8.504 8.331 0.173 25693 5131 1 15 . 1 1 53 53 ALA N N 53 124.936 124.936 118.771 6.165 25693 5132 1 15 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.238 0.104 25693 5133 1 15 . 1 1 53 53 ALA CA C 53 53.214 53.214 54.272 -1.058 25693 5134 1 15 . 1 1 53 53 ALA CB C 53 19.978 19.978 19.278 0.700 25693 5135 1 15 . 1 1 53 53 ALA H H 53 8.290 8.290 7.779 0.511 25693 5136 1 15 . 1 1 54 54 THR N N 54 112.200 112.200 108.144 4.056 25693 5137 1 15 . 1 1 54 54 THR HA H 54 4.318 4.318 4.189 0.129 25693 5138 1 15 . 1 1 54 54 THR CA C 54 62.594 62.594 62.164 0.430 25693 5139 1 15 . 1 1 54 54 THR CB C 54 70.341 70.341 69.053 1.288 25693 5140 1 15 . 1 1 54 54 THR H H 54 8.011 8.011 8.135 -0.124 25693 5141 1 15 . 1 1 55 55 TRP N N 55 122.937 122.937 123.579 -0.642 25693 5142 1 15 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.901 -0.098 25693 5143 1 15 . 1 1 55 55 TRP C C 55 176.602 176.602 176.055 0.547 25693 5144 1 15 . 1 1 55 55 TRP CA C 55 57.651 57.651 55.371 2.280 25693 5145 1 15 . 1 1 55 55 TRP CB C 55 30.105 30.105 29.959 0.146 25693 5146 1 15 . 1 1 55 55 TRP H H 55 7.979 7.979 7.592 0.387 25693 5147 1 15 . 1 1 56 56 VAL N N 56 121.829 121.829 121.887 -0.058 25693 5148 1 15 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.128 -0.097 25693 5149 1 15 . 1 1 56 56 VAL C C 56 175.779 175.779 176.072 -0.293 25693 5150 1 15 . 1 1 56 56 VAL CA C 56 63.060 63.060 63.001 0.059 25693 5151 1 15 . 1 1 56 56 VAL CB C 56 33.012 33.012 29.830 3.182 25693 5152 1 15 . 1 1 56 56 VAL H H 56 7.817 7.817 8.893 -1.076 25693 5153 1 15 . 1 1 57 57 ARG N N 57 123.817 123.817 125.736 -1.919 25693 5154 1 15 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.473 -0.168 25693 5155 1 15 . 1 1 57 57 ARG C C 57 176.484 176.484 176.368 0.116 25693 5156 1 15 . 1 1 57 57 ARG CA C 57 56.741 56.741 56.769 -0.028 25693 5157 1 15 . 1 1 57 57 ARG CB C 57 31.502 31.502 31.429 0.073 25693 5158 1 15 . 1 1 57 57 ARG H H 57 8.087 8.087 8.694 -0.607 25693 5159 1 15 . 1 1 58 58 ASP N N 58 121.452 121.452 119.874 1.578 25693 5160 1 15 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.817 -0.100 25693 5161 1 15 . 1 1 58 58 ASP C C 58 177.508 177.508 176.804 0.704 25693 5162 1 15 . 1 1 58 58 ASP CA C 58 54.966 54.966 53.234 1.732 25693 5163 1 15 . 1 1 58 58 ASP CB C 58 42.021 42.021 43.742 -1.721 25693 5164 1 15 . 1 1 58 58 ASP H H 58 8.240 8.240 8.138 0.102 25693 5165 1 15 . 1 1 59 59 VAL N N 59 120.104 120.104 122.183 -2.079 25693 5166 1 15 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.254 -0.087 25693 5167 1 15 . 1 1 59 59 VAL C C 59 177.636 177.636 175.938 1.698 25693 5168 1 15 . 1 1 59 59 VAL CA C 59 63.146 63.146 61.920 1.226 25693 5169 1 15 . 1 1 59 59 VAL CB C 59 33.377 33.377 31.597 1.780 25693 5170 1 15 . 1 1 59 59 VAL H H 59 8.059 8.059 8.503 -0.444 25693 5171 1 15 . 1 1 60 60 VAL N N 60 123.394 123.394 119.650 3.744 25693 5172 1 15 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.724 0.419 25693 5173 1 15 . 1 1 60 60 VAL C C 60 177.956 177.956 175.063 2.893 25693 5174 1 15 . 1 1 60 60 VAL CA C 60 63.452 63.452 63.587 -0.135 25693 5175 1 15 . 1 1 60 60 VAL CB C 60 33.012 33.012 30.012 3.000 25693 5176 1 15 . 1 1 60 60 VAL H H 60 8.115 8.115 8.397 -0.282 25693 5177 1 15 . 1 1 61 61 ARG N N 61 124.402 124.402 125.688 -1.286 25693 5178 1 15 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.522 0.111 25693 5179 1 15 . 1 1 61 61 ARG C C 61 177.786 177.786 175.784 2.002 25693 5180 1 15 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.565 1.148 25693 5181 1 15 . 1 1 61 61 ARG CB C 61 31.306 31.306 31.399 -0.093 25693 5182 1 15 . 1 1 61 61 ARG H H 61 8.350 8.350 8.123 0.227 25693 5183 1 15 . 1 1 62 62 SER N N 62 121.629 121.629 117.642 3.987 25693 5184 1 15 . 1 1 62 62 SER HA H 62 4.579 4.579 4.666 -0.087 25693 5185 1 15 . 1 1 62 62 SER C C 62 177.687 177.687 173.413 4.274 25693 5186 1 15 . 1 1 62 62 SER CA C 62 56.270 56.270 57.128 -0.858 25693 5187 1 15 . 1 1 62 62 SER CB C 62 70.537 70.537 62.075 8.462 25693 5188 1 15 . 1 1 62 62 SER H H 62 8.253 8.253 8.611 -0.358 25693 5189 1 15 . 1 1 63 63 MET N N 63 121.452 121.452 123.021 -1.569 25693 5190 1 15 . 1 1 63 63 MET HA H 63 4.706 4.706 4.616 0.090 25693 5191 1 15 . 1 1 63 63 MET C C 63 177.252 177.252 174.499 2.753 25693 5192 1 15 . 1 1 63 63 MET CA C 63 54.861 54.861 56.225 -1.364 25693 5193 1 15 . 1 1 63 63 MET CB C 63 31.514 31.514 33.877 -2.363 25693 5194 1 15 . 1 1 63 63 MET H H 63 8.245 8.245 8.350 -0.105 25693 5195 1 15 . 1 1 64 64 ASP N N 64 120.811 120.811 120.254 0.557 25693 5196 1 15 . 1 1 64 64 ASP C C 64 177.786 177.786 174.979 2.807 25693 5197 1 15 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.613 2.855 25693 5198 1 15 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.035 -8.658 25693 5199 1 15 . 1 1 64 64 ASP H H 64 8.251 8.251 8.156 0.095 25693 5200 1 15 . 1 1 65 65 ARG N N 65 120.563 120.563 121.015 -0.452 25693 5201 1 15 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.323 0.146 25693 5202 1 15 . 1 1 65 65 ARG C C 65 179.397 179.397 176.356 3.041 25693 5203 1 15 . 1 1 65 65 ARG CA C 65 57.080 57.080 55.845 1.235 25693 5204 1 15 . 1 1 65 65 ARG CB C 65 33.510 33.510 31.299 2.211 25693 5205 1 15 . 1 1 65 65 ARG H H 65 8.145 8.145 8.310 -0.165 25693 5206 1 16 . 1 1 2 2 GLY C C 2 176.333 176.333 174.422 1.911 25693 5207 1 16 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.796 8.085 25693 5208 1 16 . 1 1 3 3 SER N N 3 119.606 119.606 120.003 -0.397 25693 5209 1 16 . 1 1 3 3 SER C C 3 171.619 171.619 173.900 -2.281 25693 5210 1 16 . 1 1 3 3 SER CA C 3 62.684 62.684 59.310 3.374 25693 5211 1 16 . 1 1 3 3 SER CB C 3 62.684 62.684 62.709 -0.025 25693 5212 1 16 . 1 1 3 3 SER H H 3 8.031 8.031 8.137 -0.106 25693 5213 1 16 . 1 1 4 4 GLU N N 4 122.937 122.937 124.464 -1.527 25693 5214 1 16 . 1 1 4 4 GLU C C 4 178.452 178.452 175.565 2.887 25693 5215 1 16 . 1 1 4 4 GLU CA C 4 57.387 57.387 55.314 2.073 25693 5216 1 16 . 1 1 4 4 GLU CB C 4 30.575 30.575 32.000 -1.425 25693 5217 1 16 . 1 1 4 4 GLU H H 4 7.979 7.979 7.979 -0.000 25693 5218 1 16 . 1 1 5 5 VAL N N 5 120.522 120.522 122.676 -2.154 25693 5219 1 16 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.156 0.113 25693 5220 1 16 . 1 1 5 5 VAL CA C 5 62.840 62.840 62.723 0.117 25693 5221 1 16 . 1 1 5 5 VAL CB C 5 33.194 33.194 31.072 2.122 25693 5222 1 16 . 1 1 5 5 VAL H H 5 8.185 8.185 8.467 -0.282 25693 5223 1 16 . 1 1 6 6 SER N N 6 119.109 119.109 120.207 -1.098 25693 5224 1 16 . 1 1 6 6 SER HA H 6 4.560 4.560 4.651 -0.091 25693 5225 1 16 . 1 1 6 6 SER CA C 6 58.826 58.826 57.777 1.049 25693 5226 1 16 . 1 1 6 6 SER CB C 6 64.865 64.865 65.112 -0.247 25693 5227 1 16 . 1 1 6 6 SER H H 6 8.340 8.340 8.130 0.210 25693 5228 1 16 . 1 1 7 7 ASP N N 7 122.786 122.786 123.348 -0.562 25693 5229 1 16 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.600 0.106 25693 5230 1 16 . 1 1 7 7 ASP C C 7 177.572 177.572 175.726 1.846 25693 5231 1 16 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.285 0.651 25693 5232 1 16 . 1 1 7 7 ASP CB C 7 41.984 41.984 40.117 1.867 25693 5233 1 16 . 1 1 7 7 ASP H H 7 8.347 8.347 8.231 0.116 25693 5234 1 16 . 1 1 8 8 LYS N N 8 119.939 119.939 122.316 -2.377 25693 5235 1 16 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.521 -0.114 25693 5236 1 16 . 1 1 8 8 LYS C C 8 178.323 178.323 176.581 1.742 25693 5237 1 16 . 1 1 8 8 LYS CA C 8 56.844 56.844 55.728 1.116 25693 5238 1 16 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.373 -2.297 25693 5239 1 16 . 1 1 8 8 LYS H H 8 8.060 8.060 7.781 0.279 25693 5240 1 16 . 1 1 9 9 ARG N N 9 121.813 121.813 121.737 0.076 25693 5241 1 16 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.101 0.368 25693 5242 1 16 . 1 1 9 9 ARG C C 9 178.148 178.148 175.300 2.848 25693 5243 1 16 . 1 1 9 9 ARG CA C 9 56.779 56.779 56.645 0.134 25693 5244 1 16 . 1 1 9 9 ARG CB C 9 31.062 31.062 27.673 3.389 25693 5245 1 16 . 1 1 9 9 ARG H H 9 8.352 8.352 9.233 -0.881 25693 5246 1 16 . 1 1 10 10 THR N N 10 116.680 116.680 118.383 -1.703 25693 5247 1 16 . 1 1 10 10 THR HA H 10 4.487 4.487 4.480 0.007 25693 5248 1 16 . 1 1 10 10 THR CA C 10 59.286 59.286 63.792 -4.506 25693 5249 1 16 . 1 1 10 10 THR CB C 10 64.412 64.412 68.496 -4.084 25693 5250 1 16 . 1 1 10 10 THR H H 10 8.263 8.263 8.211 0.052 25693 5251 1 16 . 1 1 11 11 CYS N N 11 124.443 124.443 124.804 -0.361 25693 5252 1 16 . 1 1 11 11 CYS HA H 11 6.292 6.292 5.311 0.981 25693 5253 1 16 . 1 1 11 11 CYS C C 11 169.873 169.873 174.293 -4.420 25693 5254 1 16 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.229 -1.619 25693 5255 1 16 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.425 13.816 25693 5256 1 16 . 1 1 11 11 CYS H H 11 8.166 8.166 8.128 0.038 25693 5257 1 16 . 1 1 12 12 VAL N N 12 118.379 118.379 120.764 -2.385 25693 5258 1 16 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.673 0.040 25693 5259 1 16 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.692 0.278 25693 5260 1 16 . 1 1 12 12 VAL CB C 12 35.720 35.720 35.657 0.063 25693 5261 1 16 . 1 1 12 12 VAL H H 12 9.190 9.190 9.347 -0.157 25693 5262 1 16 . 1 1 13 13 SER N N 13 118.231 118.231 119.754 -1.523 25693 5263 1 16 . 1 1 13 13 SER HA H 13 5.457 5.457 5.102 0.355 25693 5264 1 16 . 1 1 13 13 SER CA C 13 57.815 57.815 57.087 0.728 25693 5265 1 16 . 1 1 13 13 SER CB C 13 66.744 66.744 64.276 2.468 25693 5266 1 16 . 1 1 13 13 SER H H 13 8.477 8.477 8.281 0.196 25693 5267 1 16 . 1 1 14 14 LEU N N 14 125.590 125.590 127.666 -2.076 25693 5268 1 16 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.694 0.122 25693 5269 1 16 . 1 1 14 14 LEU C C 14 176.497 176.497 176.170 0.327 25693 5270 1 16 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.029 1.039 25693 5271 1 16 . 1 1 14 14 LEU CB C 14 45.750 45.750 44.056 1.694 25693 5272 1 16 . 1 1 14 14 LEU H H 14 9.031 9.031 9.123 -0.092 25693 5273 1 16 . 1 1 15 15 THR N N 15 121.083 121.083 120.243 0.840 25693 5274 1 16 . 1 1 15 15 THR HA H 15 4.870 4.870 4.608 0.262 25693 5275 1 16 . 1 1 15 15 THR C C 15 171.445 171.445 173.789 -2.344 25693 5276 1 16 . 1 1 15 15 THR CA C 15 62.607 62.607 61.761 0.846 25693 5277 1 16 . 1 1 15 15 THR CB C 15 70.127 70.127 69.997 0.130 25693 5278 1 16 . 1 1 15 15 THR H H 15 8.684 8.684 8.471 0.213 25693 5279 1 16 . 1 1 16 16 THR N N 16 117.142 117.142 118.159 -1.017 25693 5280 1 16 . 1 1 16 16 THR HA H 16 4.724 4.724 4.723 0.001 25693 5281 1 16 . 1 1 16 16 THR CA C 16 61.091 61.091 59.414 1.677 25693 5282 1 16 . 1 1 16 16 THR CB C 16 71.260 71.260 69.774 1.486 25693 5283 1 16 . 1 1 16 16 THR H H 16 8.114 8.114 8.170 -0.056 25693 5284 1 16 . 1 1 17 17 GLN N N 17 119.423 119.423 120.832 -1.409 25693 5285 1 16 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.058 0.439 25693 5286 1 16 . 1 1 17 17 GLN CA C 17 56.561 56.561 58.350 -1.789 25693 5287 1 16 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.096 0.748 25693 5288 1 16 . 1 1 17 17 GLN H H 17 8.260 8.260 8.711 -0.451 25693 5289 1 16 . 1 1 18 18 ARG N N 18 119.630 119.630 116.530 3.100 25693 5290 1 16 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.426 0.081 25693 5291 1 16 . 1 1 18 18 ARG C C 18 177.434 177.434 173.863 3.571 25693 5292 1 16 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.849 1.262 25693 5293 1 16 . 1 1 18 18 ARG CB C 18 30.895 30.895 32.112 -1.217 25693 5294 1 16 . 1 1 18 18 ARG H H 18 8.190 8.190 7.998 0.192 25693 5295 1 16 . 1 1 19 19 LEU N N 19 125.797 125.797 127.267 -1.470 25693 5296 1 16 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.033 1.208 25693 5297 1 16 . 1 1 19 19 LEU CB C 19 43.403 43.403 45.288 -1.885 25693 5298 1 16 . 1 1 19 19 LEU H H 19 8.674 8.674 8.364 0.310 25693 5299 1 16 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.531 0.257 25693 5300 1 16 . 1 1 20 20 PRO C C 20 177.352 177.352 176.099 1.253 25693 5301 1 16 . 1 1 20 20 PRO CA C 20 63.146 63.146 63.027 0.119 25693 5302 1 16 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.060 -2.568 25693 5303 1 16 . 1 1 21 21 VAL N N 21 119.308 119.308 117.879 1.429 25693 5304 1 16 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.557 -0.419 25693 5305 1 16 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.669 0.639 25693 5306 1 16 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.924 -0.296 25693 5307 1 16 . 1 1 21 21 VAL H H 21 7.850 7.850 8.087 -0.237 25693 5308 1 16 . 1 1 22 22 SER N N 22 121.709 121.709 117.598 4.111 25693 5309 1 16 . 1 1 22 22 SER HA H 22 4.589 4.589 4.535 0.054 25693 5310 1 16 . 1 1 22 22 SER C C 22 170.922 170.922 174.118 -3.196 25693 5311 1 16 . 1 1 22 22 SER CA C 22 59.316 59.316 59.649 -0.333 25693 5312 1 16 . 1 1 22 22 SER CB C 22 64.576 64.576 63.440 1.136 25693 5313 1 16 . 1 1 22 22 SER H H 22 8.671 8.671 8.755 -0.084 25693 5314 1 16 . 1 1 23 23 ARG N N 23 120.473 120.473 119.754 0.719 25693 5315 1 16 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.448 0.131 25693 5316 1 16 . 1 1 23 23 ARG C C 23 171.215 171.215 174.004 -2.789 25693 5317 1 16 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.426 -0.030 25693 5318 1 16 . 1 1 23 23 ARG CB C 23 32.391 32.391 31.980 0.411 25693 5319 1 16 . 1 1 23 23 ARG H H 23 7.828 7.828 7.575 0.253 25693 5320 1 16 . 1 1 24 24 ILE N N 24 120.563 120.563 123.714 -3.151 25693 5321 1 16 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.727 -0.292 25693 5322 1 16 . 1 1 24 24 ILE C C 24 176.100 176.100 176.321 -0.221 25693 5323 1 16 . 1 1 24 24 ILE CA C 24 62.503 62.503 60.102 2.401 25693 5324 1 16 . 1 1 24 24 ILE CB C 24 39.509 39.509 37.291 2.218 25693 5325 1 16 . 1 1 24 24 ILE H H 24 8.085 8.085 8.461 -0.376 25693 5326 1 16 . 1 1 25 25 LYS N N 25 127.474 127.474 126.549 0.925 25693 5327 1 16 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.668 0.103 25693 5328 1 16 . 1 1 25 25 LYS C C 25 173.336 173.336 174.449 -1.113 25693 5329 1 16 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.775 0.345 25693 5330 1 16 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.795 0.030 25693 5331 1 16 . 1 1 25 25 LYS H H 25 8.526 8.526 8.201 0.325 25693 5332 1 16 . 1 1 26 26 THR N N 26 114.644 114.644 112.037 2.607 25693 5333 1 16 . 1 1 26 26 THR HA H 26 5.512 5.512 5.515 -0.003 25693 5334 1 16 . 1 1 26 26 THR C C 26 169.422 169.422 173.627 -4.205 25693 5335 1 16 . 1 1 26 26 THR CA C 26 60.264 60.264 60.014 0.250 25693 5336 1 16 . 1 1 26 26 THR CB C 26 72.098 72.098 70.423 1.675 25693 5337 1 16 . 1 1 26 26 THR H H 26 7.998 7.998 7.980 0.018 25693 5338 1 16 . 1 1 27 27 TYR N N 27 122.745 122.745 125.445 -2.700 25693 5339 1 16 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.632 0.245 25693 5340 1 16 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.092 0.239 25693 5341 1 16 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.196 1.405 25693 5342 1 16 . 1 1 27 27 TYR H H 27 8.848 8.848 8.605 0.243 25693 5343 1 16 . 1 1 28 28 THR N N 28 117.167 117.167 120.263 -3.096 25693 5344 1 16 . 1 1 28 28 THR HA H 28 5.005 5.005 5.540 -0.535 25693 5345 1 16 . 1 1 28 28 THR C C 28 169.027 169.027 173.872 -4.845 25693 5346 1 16 . 1 1 28 28 THR CA C 28 61.921 61.921 61.394 0.527 25693 5347 1 16 . 1 1 28 28 THR CB C 28 70.988 70.988 69.893 1.095 25693 5348 1 16 . 1 1 28 28 THR H H 28 8.532 8.532 8.521 0.011 25693 5349 1 16 . 1 1 29 29 ILE N N 29 124.474 124.474 128.236 -3.762 25693 5350 1 16 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.361 -0.009 25693 5351 1 16 . 1 1 29 29 ILE C C 29 171.747 171.747 175.160 -3.413 25693 5352 1 16 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.581 -0.376 25693 5353 1 16 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.220 1.805 25693 5354 1 16 . 1 1 29 29 ILE H H 29 8.782 8.782 9.028 -0.246 25693 5355 1 16 . 1 1 30 30 THR N N 30 120.157 120.157 117.634 2.523 25693 5356 1 16 . 1 1 30 30 THR HA H 30 5.143 5.143 4.723 0.420 25693 5357 1 16 . 1 1 30 30 THR C C 30 170.054 170.054 173.936 -3.882 25693 5358 1 16 . 1 1 30 30 THR CA C 30 60.664 60.664 60.076 0.588 25693 5359 1 16 . 1 1 30 30 THR CB C 30 71.397 71.397 68.907 2.490 25693 5360 1 16 . 1 1 30 30 THR H H 30 8.475 8.475 8.477 -0.002 25693 5361 1 16 . 1 1 31 31 GLU N N 31 126.425 126.425 124.709 1.716 25693 5362 1 16 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.413 0.238 25693 5363 1 16 . 1 1 31 31 GLU C C 31 176.004 176.004 177.182 -1.178 25693 5364 1 16 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.825 -0.613 25693 5365 1 16 . 1 1 31 31 GLU CB C 31 31.637 31.637 28.554 3.083 25693 5366 1 16 . 1 1 31 31 GLU H H 31 8.589 8.589 8.385 0.204 25693 5367 1 16 . 1 1 32 32 GLY N N 32 116.534 116.534 114.479 2.055 25693 5368 1 16 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.057 2.635 25693 5369 1 16 . 1 1 32 32 GLY H H 32 8.996 8.996 7.925 1.071 25693 5370 1 16 . 1 1 33 33 SER HA H 33 4.452 4.452 4.755 -0.303 25693 5371 1 16 . 1 1 33 33 SER C C 33 173.267 173.267 173.492 -0.225 25693 5372 1 16 . 1 1 33 33 SER CA C 33 59.715 59.715 58.580 1.135 25693 5373 1 16 . 1 1 33 33 SER CB C 33 59.715 59.715 61.755 -2.040 25693 5374 1 16 . 1 1 34 34 LEU N N 34 116.305 116.305 125.011 -8.706 25693 5375 1 16 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.839 -0.178 25693 5376 1 16 . 1 1 34 34 LEU C C 34 173.314 173.314 174.527 -1.213 25693 5377 1 16 . 1 1 34 34 LEU CA C 34 55.304 55.304 55.203 0.101 25693 5378 1 16 . 1 1 34 34 LEU CB C 34 44.132 44.132 46.546 -2.414 25693 5379 1 16 . 1 1 34 34 LEU H H 34 8.425 8.425 7.909 0.516 25693 5380 1 16 . 1 1 35 35 ARG N N 35 127.474 127.474 122.508 4.966 25693 5381 1 16 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.396 -0.205 25693 5382 1 16 . 1 1 35 35 ARG C C 35 175.720 175.720 174.176 1.544 25693 5383 1 16 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.477 0.827 25693 5384 1 16 . 1 1 35 35 ARG CB C 35 32.808 32.808 34.127 -1.319 25693 5385 1 16 . 1 1 35 35 ARG H H 35 8.560 8.560 9.175 -0.615 25693 5386 1 16 . 1 1 36 36 CYS N N 36 122.335 122.335 122.694 -0.359 25693 5387 1 16 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.715 0.134 25693 5388 1 16 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.172 -1.333 25693 5389 1 16 . 1 1 36 36 CYS CB C 36 50.065 50.065 31.101 18.964 25693 5390 1 16 . 1 1 36 36 CYS H H 36 9.179 9.179 9.009 0.170 25693 5391 1 16 . 1 1 37 37 VAL N N 37 122.327 122.327 128.171 -5.844 25693 5392 1 16 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.343 -0.590 25693 5393 1 16 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.761 0.345 25693 5394 1 16 . 1 1 37 37 VAL CB C 37 35.159 35.159 35.143 0.016 25693 5395 1 16 . 1 1 37 37 VAL H H 37 9.308 9.308 9.145 0.163 25693 5396 1 16 . 1 1 38 38 ILE N N 38 126.295 126.295 127.004 -0.709 25693 5397 1 16 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.964 -0.116 25693 5398 1 16 . 1 1 38 38 ILE CA C 38 60.480 60.480 59.994 0.486 25693 5399 1 16 . 1 1 38 38 ILE CB C 38 40.891 40.891 39.866 1.025 25693 5400 1 16 . 1 1 38 38 ILE H H 38 9.014 9.014 9.057 -0.043 25693 5401 1 16 . 1 1 39 39 PHE N N 39 124.882 124.882 127.752 -2.870 25693 5402 1 16 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.253 0.054 25693 5403 1 16 . 1 1 39 39 PHE C C 39 174.855 174.855 175.523 -0.668 25693 5404 1 16 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.736 -0.237 25693 5405 1 16 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.053 1.454 25693 5406 1 16 . 1 1 39 39 PHE H H 39 9.700 9.700 9.649 0.051 25693 5407 1 16 . 1 1 40 40 ILE N N 40 124.722 124.722 127.093 -2.371 25693 5408 1 16 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.407 0.315 25693 5409 1 16 . 1 1 40 40 ILE C C 40 173.603 173.603 174.960 -1.357 25693 5410 1 16 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.124 0.612 25693 5411 1 16 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.127 0.784 25693 5412 1 16 . 1 1 40 40 ILE H H 40 9.313 9.313 9.095 0.218 25693 5413 1 16 . 1 1 41 41 THR N N 41 116.571 116.571 118.296 -1.725 25693 5414 1 16 . 1 1 41 41 THR HA H 41 4.988 4.988 4.877 0.111 25693 5415 1 16 . 1 1 41 41 THR C C 41 171.363 171.363 175.177 -3.814 25693 5416 1 16 . 1 1 41 41 THR CA C 41 59.776 59.776 59.648 0.128 25693 5417 1 16 . 1 1 41 41 THR CB C 41 72.930 72.930 72.108 0.822 25693 5418 1 16 . 1 1 41 41 THR H H 41 8.593 8.593 8.903 -0.310 25693 5419 1 16 . 1 1 42 42 LYS N N 42 116.228 116.228 121.221 -4.993 25693 5420 1 16 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.560 -0.153 25693 5421 1 16 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.516 1.984 25693 5422 1 16 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.444 1.889 25693 5423 1 16 . 1 1 42 42 LYS H H 42 8.597 8.597 8.868 -0.271 25693 5424 1 16 . 1 1 43 43 ARG N N 43 113.916 113.916 117.865 -3.949 25693 5425 1 16 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.534 0.117 25693 5426 1 16 . 1 1 43 43 ARG C C 43 176.160 176.160 174.432 1.728 25693 5427 1 16 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.502 -0.290 25693 5428 1 16 . 1 1 43 43 ARG CB C 43 31.550 31.550 31.819 -0.269 25693 5429 1 16 . 1 1 43 43 ARG H H 43 7.753 7.753 7.446 0.307 25693 5430 1 16 . 1 1 44 44 GLY N N 44 107.712 107.712 106.801 0.911 25693 5431 1 16 . 1 1 44 44 GLY C C 44 163.798 163.798 171.647 -7.849 25693 5432 1 16 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.764 0.358 25693 5433 1 16 . 1 1 44 44 GLY H H 44 7.498 7.498 7.644 -0.146 25693 5434 1 16 . 1 1 45 45 LEU N N 45 120.948 120.948 119.708 1.240 25693 5435 1 16 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.399 0.132 25693 5436 1 16 . 1 1 45 45 LEU C C 45 175.801 175.801 174.711 1.090 25693 5437 1 16 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.202 -0.001 25693 5438 1 16 . 1 1 45 45 LEU CB C 45 47.446 47.446 47.560 -0.114 25693 5439 1 16 . 1 1 45 45 LEU H H 45 8.374 8.374 9.093 -0.719 25693 5440 1 16 . 1 1 46 46 LYS N N 46 124.968 124.968 122.681 2.287 25693 5441 1 16 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.184 0.149 25693 5442 1 16 . 1 1 46 46 LYS C C 46 171.169 171.169 174.055 -2.886 25693 5443 1 16 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.258 0.597 25693 5444 1 16 . 1 1 46 46 LYS CB C 46 36.746 36.746 36.299 0.447 25693 5445 1 16 . 1 1 46 46 LYS H H 46 9.115 9.115 9.112 0.003 25693 5446 1 16 . 1 1 47 47 VAL N N 47 126.006 126.006 126.343 -0.337 25693 5447 1 16 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.214 0.039 25693 5448 1 16 . 1 1 47 47 VAL C C 47 173.892 173.892 173.099 0.793 25693 5449 1 16 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.721 1.219 25693 5450 1 16 . 1 1 47 47 VAL CB C 47 34.851 34.851 35.519 -0.668 25693 5451 1 16 . 1 1 47 47 VAL H H 47 9.221 9.221 8.996 0.225 25693 5452 1 16 . 1 1 48 48 CYS N N 48 123.279 123.279 128.729 -5.450 25693 5453 1 16 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.351 0.689 25693 5454 1 16 . 1 1 48 48 CYS C C 48 172.554 172.554 174.024 -1.470 25693 5455 1 16 . 1 1 48 48 CYS CA C 48 55.181 55.181 57.877 -2.696 25693 5456 1 16 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.141 20.521 25693 5457 1 16 . 1 1 48 48 CYS H H 48 9.201 9.201 8.997 0.204 25693 5458 1 16 . 1 1 49 49 CYS N N 49 119.872 119.872 128.467 -8.595 25693 5459 1 16 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.418 0.261 25693 5460 1 16 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.104 -1.890 25693 5461 1 16 . 1 1 49 49 CYS CB C 49 48.015 48.015 29.567 18.448 25693 5462 1 16 . 1 1 49 49 CYS H H 49 9.117 9.117 8.753 0.364 25693 5463 1 16 . 1 1 50 50 ASP N N 50 123.093 123.093 123.197 -0.104 25693 5464 1 16 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.145 0.017 25693 5465 1 16 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.802 1.067 25693 5466 1 16 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.444 -1.606 25693 5467 1 16 . 1 1 50 50 ASP H H 50 8.837 8.837 9.392 -0.555 25693 5468 1 16 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.578 0.147 25693 5469 1 16 . 1 1 51 51 PRO C C 51 178.489 178.489 176.352 2.137 25693 5470 1 16 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.561 0.014 25693 5471 1 16 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.448 1.102 25693 5472 1 16 . 1 1 52 52 GLN N N 52 120.594 120.594 113.345 7.249 25693 5473 1 16 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.051 0.317 25693 5474 1 16 . 1 1 52 52 GLN C C 52 175.779 175.779 176.163 -0.384 25693 5475 1 16 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.620 -0.465 25693 5476 1 16 . 1 1 52 52 GLN CB C 52 30.069 30.069 25.897 4.172 25693 5477 1 16 . 1 1 52 52 GLN H H 52 8.504 8.504 8.151 0.353 25693 5478 1 16 . 1 1 53 53 ALA N N 53 124.936 124.936 121.747 3.189 25693 5479 1 16 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.090 0.252 25693 5480 1 16 . 1 1 53 53 ALA CA C 53 53.214 53.214 54.926 -1.712 25693 5481 1 16 . 1 1 53 53 ALA CB C 53 19.978 19.978 18.988 0.990 25693 5482 1 16 . 1 1 53 53 ALA H H 53 8.290 8.290 7.967 0.323 25693 5483 1 16 . 1 1 54 54 THR N N 54 112.200 112.200 109.045 3.155 25693 5484 1 16 . 1 1 54 54 THR HA H 54 4.318 4.318 4.449 -0.131 25693 5485 1 16 . 1 1 54 54 THR CA C 54 62.594 62.594 62.221 0.374 25693 5486 1 16 . 1 1 54 54 THR CB C 54 70.341 70.341 68.325 2.016 25693 5487 1 16 . 1 1 54 54 THR H H 54 8.011 8.011 8.154 -0.143 25693 5488 1 16 . 1 1 55 55 TRP N N 55 122.937 122.937 121.511 1.426 25693 5489 1 16 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.819 -0.016 25693 5490 1 16 . 1 1 55 55 TRP C C 55 176.602 176.602 176.825 -0.223 25693 5491 1 16 . 1 1 55 55 TRP CA C 55 57.651 57.651 57.679 -0.028 25693 5492 1 16 . 1 1 55 55 TRP CB C 55 30.105 30.105 30.546 -0.441 25693 5493 1 16 . 1 1 55 55 TRP H H 55 7.979 7.979 7.737 0.242 25693 5494 1 16 . 1 1 56 56 VAL N N 56 121.829 121.829 119.427 2.402 25693 5495 1 16 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.192 -0.161 25693 5496 1 16 . 1 1 56 56 VAL C C 56 175.779 175.779 176.849 -1.070 25693 5497 1 16 . 1 1 56 56 VAL CA C 56 63.060 63.060 61.793 1.267 25693 5498 1 16 . 1 1 56 56 VAL CB C 56 33.012 33.012 33.373 -0.361 25693 5499 1 16 . 1 1 56 56 VAL H H 56 7.817 7.817 7.684 0.133 25693 5500 1 16 . 1 1 57 57 ARG N N 57 123.817 123.817 119.228 4.589 25693 5501 1 16 . 1 1 57 57 ARG HA H 57 4.305 4.305 3.941 0.364 25693 5502 1 16 . 1 1 57 57 ARG C C 57 176.484 176.484 175.123 1.361 25693 5503 1 16 . 1 1 57 57 ARG CA C 57 56.741 56.741 57.919 -1.178 25693 5504 1 16 . 1 1 57 57 ARG CB C 57 31.502 31.502 29.593 1.909 25693 5505 1 16 . 1 1 57 57 ARG H H 57 8.087 8.087 8.635 -0.548 25693 5506 1 16 . 1 1 58 58 ASP N N 58 121.452 121.452 118.104 3.348 25693 5507 1 16 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.467 0.250 25693 5508 1 16 . 1 1 58 58 ASP C C 58 177.508 177.508 176.552 0.956 25693 5509 1 16 . 1 1 58 58 ASP CA C 58 54.966 54.966 55.066 -0.100 25693 5510 1 16 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.083 0.938 25693 5511 1 16 . 1 1 58 58 ASP H H 58 8.240 8.240 8.218 0.022 25693 5512 1 16 . 1 1 59 59 VAL N N 59 120.104 120.104 119.490 0.614 25693 5513 1 16 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.298 -0.131 25693 5514 1 16 . 1 1 59 59 VAL C C 59 177.636 177.636 174.461 3.175 25693 5515 1 16 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.357 0.789 25693 5516 1 16 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.230 1.147 25693 5517 1 16 . 1 1 59 59 VAL H H 59 8.059 8.059 8.146 -0.087 25693 5518 1 16 . 1 1 60 60 VAL N N 60 123.394 123.394 115.917 7.477 25693 5519 1 16 . 1 1 60 60 VAL HA H 60 4.143 4.143 4.399 -0.256 25693 5520 1 16 . 1 1 60 60 VAL C C 60 177.956 177.956 175.105 2.851 25693 5521 1 16 . 1 1 60 60 VAL CA C 60 63.452 63.452 60.751 2.701 25693 5522 1 16 . 1 1 60 60 VAL CB C 60 33.012 33.012 33.695 -0.683 25693 5523 1 16 . 1 1 60 60 VAL H H 60 8.115 8.115 7.487 0.628 25693 5524 1 16 . 1 1 61 61 ARG N N 61 124.402 124.402 124.470 -0.068 25693 5525 1 16 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.330 0.303 25693 5526 1 16 . 1 1 61 61 ARG C C 61 177.786 177.786 176.680 1.106 25693 5527 1 16 . 1 1 61 61 ARG CA C 61 56.713 56.713 56.796 -0.083 25693 5528 1 16 . 1 1 61 61 ARG CB C 61 31.306 31.306 30.516 0.790 25693 5529 1 16 . 1 1 61 61 ARG H H 61 8.350 8.350 8.605 -0.255 25693 5530 1 16 . 1 1 62 62 SER N N 62 121.629 121.629 116.306 5.323 25693 5531 1 16 . 1 1 62 62 SER HA H 62 4.579 4.579 4.557 0.022 25693 5532 1 16 . 1 1 62 62 SER C C 62 177.687 177.687 174.104 3.583 25693 5533 1 16 . 1 1 62 62 SER CA C 62 56.270 56.270 57.804 -1.534 25693 5534 1 16 . 1 1 62 62 SER CB C 62 70.537 70.537 63.428 7.109 25693 5535 1 16 . 1 1 62 62 SER H H 62 8.253 8.253 8.082 0.171 25693 5536 1 16 . 1 1 63 63 MET N N 63 121.452 121.452 126.766 -5.314 25693 5537 1 16 . 1 1 63 63 MET HA H 63 4.706 4.706 4.572 0.134 25693 5538 1 16 . 1 1 63 63 MET C C 63 177.252 177.252 174.978 2.274 25693 5539 1 16 . 1 1 63 63 MET CA C 63 54.861 54.861 54.696 0.165 25693 5540 1 16 . 1 1 63 63 MET CB C 63 31.514 31.514 32.629 -1.115 25693 5541 1 16 . 1 1 63 63 MET H H 63 8.245 8.245 8.642 -0.397 25693 5542 1 16 . 1 1 64 64 ASP N N 64 120.811 120.811 126.267 -5.456 25693 5543 1 16 . 1 1 64 64 ASP C C 64 177.786 177.786 175.431 2.355 25693 5544 1 16 . 1 1 64 64 ASP CA C 64 56.468 56.468 54.209 2.259 25693 5545 1 16 . 1 1 64 64 ASP CB C 64 33.377 33.377 41.492 -8.115 25693 5546 1 16 . 1 1 64 64 ASP H H 64 8.251 8.251 8.571 -0.320 25693 5547 1 16 . 1 1 65 65 ARG N N 65 120.563 120.563 124.999 -4.436 25693 5548 1 16 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.641 -0.172 25693 5549 1 16 . 1 1 65 65 ARG C C 65 179.397 179.397 175.358 4.039 25693 5550 1 16 . 1 1 65 65 ARG CA C 65 57.080 57.080 55.807 1.272 25693 5551 1 16 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.774 2.736 25693 5552 1 16 . 1 1 65 65 ARG H H 65 8.145 8.145 8.614 -0.469 25693 5553 1 17 . 1 1 2 2 GLY C C 2 176.333 176.333 174.878 1.455 25693 5554 1 17 . 1 1 2 2 GLY CA C 2 52.881 52.881 45.681 7.199 25693 5555 1 17 . 1 1 3 3 SER N N 3 119.606 119.606 116.116 3.490 25693 5556 1 17 . 1 1 3 3 SER C C 3 171.619 171.619 174.151 -2.532 25693 5557 1 17 . 1 1 3 3 SER CA C 3 62.684 62.684 58.525 4.159 25693 5558 1 17 . 1 1 3 3 SER CB C 3 62.684 62.684 63.464 -0.780 25693 5559 1 17 . 1 1 3 3 SER H H 3 8.031 8.031 7.998 0.033 25693 5560 1 17 . 1 1 4 4 GLU N N 4 122.937 122.937 120.875 2.062 25693 5561 1 17 . 1 1 4 4 GLU C C 4 178.452 178.452 174.837 3.615 25693 5562 1 17 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.547 0.840 25693 5563 1 17 . 1 1 4 4 GLU CB C 4 30.575 30.575 29.163 1.412 25693 5564 1 17 . 1 1 4 4 GLU H H 4 7.979 7.979 8.148 -0.169 25693 5565 1 17 . 1 1 5 5 VAL N N 5 120.522 120.522 118.719 1.803 25693 5566 1 17 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.471 -0.202 25693 5567 1 17 . 1 1 5 5 VAL CA C 5 62.840 62.840 60.555 2.285 25693 5568 1 17 . 1 1 5 5 VAL CB C 5 33.194 33.194 34.280 -1.086 25693 5569 1 17 . 1 1 5 5 VAL H H 5 8.185 8.185 7.719 0.466 25693 5570 1 17 . 1 1 6 6 SER N N 6 119.109 119.109 117.014 2.095 25693 5571 1 17 . 1 1 6 6 SER HA H 6 4.560 4.560 4.359 0.201 25693 5572 1 17 . 1 1 6 6 SER CA C 6 58.826 58.826 58.890 -0.064 25693 5573 1 17 . 1 1 6 6 SER CB C 6 64.865 64.865 63.049 1.816 25693 5574 1 17 . 1 1 6 6 SER H H 6 8.340 8.340 8.459 -0.119 25693 5575 1 17 . 1 1 7 7 ASP N N 7 122.786 122.786 129.052 -6.266 25693 5576 1 17 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.752 -0.046 25693 5577 1 17 . 1 1 7 7 ASP C C 7 177.572 177.572 174.661 2.911 25693 5578 1 17 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.104 0.832 25693 5579 1 17 . 1 1 7 7 ASP CB C 7 41.984 41.984 40.955 1.029 25693 5580 1 17 . 1 1 7 7 ASP H H 7 8.347 8.347 8.531 -0.184 25693 5581 1 17 . 1 1 8 8 LYS N N 8 119.939 119.939 121.155 -1.216 25693 5582 1 17 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.286 0.121 25693 5583 1 17 . 1 1 8 8 LYS C C 8 178.323 178.323 174.732 3.591 25693 5584 1 17 . 1 1 8 8 LYS CA C 8 56.844 56.844 56.097 0.747 25693 5585 1 17 . 1 1 8 8 LYS CB C 8 31.076 31.076 34.549 -3.473 25693 5586 1 17 . 1 1 8 8 LYS H H 8 8.060 8.060 7.687 0.373 25693 5587 1 17 . 1 1 9 9 ARG N N 9 121.813 121.813 122.451 -0.638 25693 5588 1 17 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.466 0.003 25693 5589 1 17 . 1 1 9 9 ARG C C 9 178.148 178.148 175.376 2.772 25693 5590 1 17 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.798 0.981 25693 5591 1 17 . 1 1 9 9 ARG CB C 9 31.062 31.062 29.734 1.328 25693 5592 1 17 . 1 1 9 9 ARG H H 9 8.352 8.352 8.601 -0.249 25693 5593 1 17 . 1 1 10 10 THR N N 10 116.680 116.680 117.759 -1.079 25693 5594 1 17 . 1 1 10 10 THR HA H 10 4.487 4.487 4.469 0.018 25693 5595 1 17 . 1 1 10 10 THR CA C 10 59.286 59.286 61.602 -2.316 25693 5596 1 17 . 1 1 10 10 THR CB C 10 64.412 64.412 69.808 -5.396 25693 5597 1 17 . 1 1 10 10 THR H H 10 8.263 8.263 7.805 0.458 25693 5598 1 17 . 1 1 11 11 CYS N N 11 124.443 124.443 124.179 0.264 25693 5599 1 17 . 1 1 11 11 CYS HA H 11 6.292 6.292 5.162 1.130 25693 5600 1 17 . 1 1 11 11 CYS C C 11 169.873 169.873 174.415 -4.542 25693 5601 1 17 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.819 -2.209 25693 5602 1 17 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.210 14.031 25693 5603 1 17 . 1 1 11 11 CYS H H 11 8.166 8.166 8.679 -0.513 25693 5604 1 17 . 1 1 12 12 VAL N N 12 118.379 118.379 121.192 -2.813 25693 5605 1 17 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.628 0.085 25693 5606 1 17 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.839 0.131 25693 5607 1 17 . 1 1 12 12 VAL CB C 12 35.720 35.720 35.037 0.683 25693 5608 1 17 . 1 1 12 12 VAL H H 12 9.190 9.190 9.290 -0.100 25693 5609 1 17 . 1 1 13 13 SER N N 13 118.231 118.231 119.697 -1.466 25693 5610 1 17 . 1 1 13 13 SER HA H 13 5.457 5.457 5.339 0.118 25693 5611 1 17 . 1 1 13 13 SER CA C 13 57.815 57.815 56.848 0.967 25693 5612 1 17 . 1 1 13 13 SER CB C 13 66.744 66.744 65.069 1.676 25693 5613 1 17 . 1 1 13 13 SER H H 13 8.477 8.477 8.214 0.263 25693 5614 1 17 . 1 1 14 14 LEU N N 14 125.590 125.590 125.462 0.128 25693 5615 1 17 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.780 0.036 25693 5616 1 17 . 1 1 14 14 LEU C C 14 176.497 176.497 176.156 0.341 25693 5617 1 17 . 1 1 14 14 LEU CA C 14 55.068 55.068 53.941 1.127 25693 5618 1 17 . 1 1 14 14 LEU CB C 14 45.750 45.750 45.670 0.080 25693 5619 1 17 . 1 1 14 14 LEU H H 14 9.031 9.031 9.100 -0.069 25693 5620 1 17 . 1 1 15 15 THR N N 15 121.083 121.083 114.093 6.990 25693 5621 1 17 . 1 1 15 15 THR HA H 15 4.870 4.870 4.776 0.094 25693 5622 1 17 . 1 1 15 15 THR C C 15 171.445 171.445 173.928 -2.483 25693 5623 1 17 . 1 1 15 15 THR CA C 15 62.607 62.607 60.907 1.700 25693 5624 1 17 . 1 1 15 15 THR CB C 15 70.127 70.127 69.782 0.345 25693 5625 1 17 . 1 1 15 15 THR H H 15 8.684 8.684 8.368 0.316 25693 5626 1 17 . 1 1 16 16 THR N N 16 117.142 117.142 117.253 -0.111 25693 5627 1 17 . 1 1 16 16 THR HA H 16 4.724 4.724 4.552 0.172 25693 5628 1 17 . 1 1 16 16 THR CA C 16 61.091 61.091 59.956 1.135 25693 5629 1 17 . 1 1 16 16 THR CB C 16 71.260 71.260 69.844 1.416 25693 5630 1 17 . 1 1 16 16 THR H H 16 8.114 8.114 8.344 -0.230 25693 5631 1 17 . 1 1 17 17 GLN N N 17 119.423 119.423 122.678 -3.255 25693 5632 1 17 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.157 0.340 25693 5633 1 17 . 1 1 17 17 GLN CA C 17 56.561 56.561 56.292 0.269 25693 5634 1 17 . 1 1 17 17 GLN CB C 17 29.844 29.844 27.349 2.495 25693 5635 1 17 . 1 1 17 17 GLN H H 17 8.260 8.260 8.613 -0.353 25693 5636 1 17 . 1 1 18 18 ARG N N 18 119.630 119.630 117.178 2.452 25693 5637 1 17 . 1 1 18 18 ARG HA H 18 4.507 4.507 3.808 0.699 25693 5638 1 17 . 1 1 18 18 ARG C C 18 177.434 177.434 174.951 2.483 25693 5639 1 17 . 1 1 18 18 ARG CA C 18 57.111 57.111 56.830 0.281 25693 5640 1 17 . 1 1 18 18 ARG CB C 18 30.895 30.895 27.560 3.335 25693 5641 1 17 . 1 1 18 18 ARG H H 18 8.190 8.190 8.311 -0.121 25693 5642 1 17 . 1 1 19 19 LEU N N 19 125.797 125.797 124.132 1.665 25693 5643 1 17 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.500 0.741 25693 5644 1 17 . 1 1 19 19 LEU CB C 19 43.403 43.403 44.489 -1.086 25693 5645 1 17 . 1 1 19 19 LEU H H 19 8.674 8.674 8.040 0.634 25693 5646 1 17 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.538 0.250 25693 5647 1 17 . 1 1 20 20 PRO C C 20 177.352 177.352 175.747 1.605 25693 5648 1 17 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.960 0.186 25693 5649 1 17 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.967 -2.475 25693 5650 1 17 . 1 1 21 21 VAL N N 21 119.308 119.308 117.988 1.320 25693 5651 1 17 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.522 -0.384 25693 5652 1 17 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.438 0.870 25693 5653 1 17 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.466 0.162 25693 5654 1 17 . 1 1 21 21 VAL H H 21 7.850 7.850 7.651 0.199 25693 5655 1 17 . 1 1 22 22 SER N N 22 121.709 121.709 117.399 4.310 25693 5656 1 17 . 1 1 22 22 SER HA H 22 4.589 4.589 4.497 0.092 25693 5657 1 17 . 1 1 22 22 SER C C 22 170.922 170.922 174.254 -3.332 25693 5658 1 17 . 1 1 22 22 SER CA C 22 59.316 59.316 59.867 -0.551 25693 5659 1 17 . 1 1 22 22 SER CB C 22 64.576 64.576 63.458 1.118 25693 5660 1 17 . 1 1 22 22 SER H H 22 8.671 8.671 8.557 0.114 25693 5661 1 17 . 1 1 23 23 ARG N N 23 120.473 120.473 120.629 -0.156 25693 5662 1 17 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.437 0.142 25693 5663 1 17 . 1 1 23 23 ARG C C 23 171.215 171.215 174.418 -3.203 25693 5664 1 17 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.333 0.063 25693 5665 1 17 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.373 0.018 25693 5666 1 17 . 1 1 23 23 ARG H H 23 7.828 7.828 7.672 0.156 25693 5667 1 17 . 1 1 24 24 ILE N N 24 120.563 120.563 124.332 -3.769 25693 5668 1 17 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.561 -0.126 25693 5669 1 17 . 1 1 24 24 ILE C C 24 176.100 176.100 176.262 -0.162 25693 5670 1 17 . 1 1 24 24 ILE CA C 24 62.503 62.503 60.344 2.159 25693 5671 1 17 . 1 1 24 24 ILE CB C 24 39.509 39.509 37.287 2.222 25693 5672 1 17 . 1 1 24 24 ILE H H 24 8.085 8.085 8.468 -0.383 25693 5673 1 17 . 1 1 25 25 LYS N N 25 127.474 127.474 127.180 0.294 25693 5674 1 17 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.690 0.081 25693 5675 1 17 . 1 1 25 25 LYS C C 25 173.336 173.336 174.862 -1.526 25693 5676 1 17 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.627 0.493 25693 5677 1 17 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.660 0.165 25693 5678 1 17 . 1 1 25 25 LYS H H 25 8.526 8.526 8.045 0.481 25693 5679 1 17 . 1 1 26 26 THR N N 26 114.644 114.644 112.703 1.941 25693 5680 1 17 . 1 1 26 26 THR HA H 26 5.512 5.512 5.236 0.276 25693 5681 1 17 . 1 1 26 26 THR C C 26 169.422 169.422 173.696 -4.274 25693 5682 1 17 . 1 1 26 26 THR CA C 26 60.264 60.264 59.596 0.668 25693 5683 1 17 . 1 1 26 26 THR CB C 26 72.098 72.098 70.224 1.874 25693 5684 1 17 . 1 1 26 26 THR H H 26 7.998 7.998 8.022 -0.024 25693 5685 1 17 . 1 1 27 27 TYR N N 27 122.745 122.745 125.749 -3.004 25693 5686 1 17 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.634 0.243 25693 5687 1 17 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.034 0.297 25693 5688 1 17 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.073 1.528 25693 5689 1 17 . 1 1 27 27 TYR H H 27 8.848 8.848 8.815 0.033 25693 5690 1 17 . 1 1 28 28 THR N N 28 117.167 117.167 120.844 -3.677 25693 5691 1 17 . 1 1 28 28 THR HA H 28 5.005 5.005 5.328 -0.323 25693 5692 1 17 . 1 1 28 28 THR C C 28 169.027 169.027 173.880 -4.853 25693 5693 1 17 . 1 1 28 28 THR CA C 28 61.921 61.921 61.676 0.245 25693 5694 1 17 . 1 1 28 28 THR CB C 28 70.988 70.988 69.757 1.231 25693 5695 1 17 . 1 1 28 28 THR H H 28 8.532 8.532 8.618 -0.086 25693 5696 1 17 . 1 1 29 29 ILE N N 29 124.474 124.474 129.048 -4.574 25693 5697 1 17 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.385 -0.033 25693 5698 1 17 . 1 1 29 29 ILE C C 29 171.747 171.747 175.108 -3.361 25693 5699 1 17 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.542 -0.337 25693 5700 1 17 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.333 1.692 25693 5701 1 17 . 1 1 29 29 ILE H H 29 8.782 8.782 9.218 -0.436 25693 5702 1 17 . 1 1 30 30 THR N N 30 120.157 120.157 119.532 0.625 25693 5703 1 17 . 1 1 30 30 THR HA H 30 5.143 5.143 5.396 -0.253 25693 5704 1 17 . 1 1 30 30 THR C C 30 170.054 170.054 174.357 -4.303 25693 5705 1 17 . 1 1 30 30 THR CA C 30 60.664 60.664 59.888 0.776 25693 5706 1 17 . 1 1 30 30 THR CB C 30 71.397 71.397 69.344 2.054 25693 5707 1 17 . 1 1 30 30 THR H H 30 8.475 8.475 8.632 -0.157 25693 5708 1 17 . 1 1 31 31 GLU N N 31 126.425 126.425 126.066 0.359 25693 5709 1 17 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.479 0.172 25693 5710 1 17 . 1 1 31 31 GLU C C 31 176.004 176.004 176.551 -0.547 25693 5711 1 17 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.129 0.083 25693 5712 1 17 . 1 1 31 31 GLU CB C 31 31.637 31.637 29.680 1.956 25693 5713 1 17 . 1 1 31 31 GLU H H 31 8.589 8.589 7.979 0.610 25693 5714 1 17 . 1 1 32 32 GLY N N 32 116.534 116.534 114.769 1.765 25693 5715 1 17 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.348 2.344 25693 5716 1 17 . 1 1 32 32 GLY H H 32 8.996 8.996 8.736 0.260 25693 5717 1 17 . 1 1 33 33 SER HA H 33 4.452 4.452 4.094 0.358 25693 5718 1 17 . 1 1 33 33 SER C C 33 173.267 173.267 173.138 0.129 25693 5719 1 17 . 1 1 33 33 SER CA C 33 59.715 59.715 58.988 0.727 25693 5720 1 17 . 1 1 33 33 SER CB C 33 59.715 59.715 63.346 -3.631 25693 5721 1 17 . 1 1 34 34 LEU N N 34 116.305 116.305 120.142 -3.837 25693 5722 1 17 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.543 0.118 25693 5723 1 17 . 1 1 34 34 LEU C C 34 173.314 173.314 174.923 -1.609 25693 5724 1 17 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.123 1.181 25693 5725 1 17 . 1 1 34 34 LEU CB C 34 44.132 44.132 43.752 0.380 25693 5726 1 17 . 1 1 34 34 LEU H H 34 8.425 8.425 7.568 0.857 25693 5727 1 17 . 1 1 35 35 ARG N N 35 127.474 127.474 124.947 2.527 25693 5728 1 17 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.389 -0.198 25693 5729 1 17 . 1 1 35 35 ARG C C 35 175.720 175.720 175.246 0.474 25693 5730 1 17 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.625 0.679 25693 5731 1 17 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.234 0.574 25693 5732 1 17 . 1 1 35 35 ARG H H 35 8.560 8.560 9.118 -0.558 25693 5733 1 17 . 1 1 36 36 CYS N N 36 122.335 122.335 124.109 -1.774 25693 5734 1 17 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.383 0.466 25693 5735 1 17 . 1 1 36 36 CYS CA C 36 55.839 55.839 58.267 -2.428 25693 5736 1 17 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.223 19.842 25693 5737 1 17 . 1 1 36 36 CYS H H 36 9.179 9.179 9.284 -0.105 25693 5738 1 17 . 1 1 37 37 VAL N N 37 122.327 122.327 123.664 -1.337 25693 5739 1 17 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.464 -0.711 25693 5740 1 17 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.867 0.239 25693 5741 1 17 . 1 1 37 37 VAL CB C 37 35.159 35.159 35.324 -0.165 25693 5742 1 17 . 1 1 37 37 VAL H H 37 9.308 9.308 9.533 -0.225 25693 5743 1 17 . 1 1 38 38 ILE N N 38 126.295 126.295 126.470 -0.175 25693 5744 1 17 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.069 -0.221 25693 5745 1 17 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.107 0.373 25693 5746 1 17 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.029 0.862 25693 5747 1 17 . 1 1 38 38 ILE H H 38 9.014 9.014 9.052 -0.038 25693 5748 1 17 . 1 1 39 39 PHE N N 39 124.882 124.882 127.263 -2.381 25693 5749 1 17 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.415 -0.108 25693 5750 1 17 . 1 1 39 39 PHE C C 39 174.855 174.855 175.834 -0.979 25693 5751 1 17 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.016 0.482 25693 5752 1 17 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.093 1.414 25693 5753 1 17 . 1 1 39 39 PHE H H 39 9.700 9.700 9.663 0.037 25693 5754 1 17 . 1 1 40 40 ILE N N 40 124.722 124.722 126.813 -2.091 25693 5755 1 17 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.393 0.329 25693 5756 1 17 . 1 1 40 40 ILE C C 40 173.603 173.603 175.143 -1.540 25693 5757 1 17 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.323 0.413 25693 5758 1 17 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.037 0.874 25693 5759 1 17 . 1 1 40 40 ILE H H 40 9.313 9.313 9.051 0.262 25693 5760 1 17 . 1 1 41 41 THR N N 41 116.571 116.571 118.283 -1.712 25693 5761 1 17 . 1 1 41 41 THR HA H 41 4.988 4.988 4.861 0.127 25693 5762 1 17 . 1 1 41 41 THR C C 41 171.363 171.363 175.263 -3.900 25693 5763 1 17 . 1 1 41 41 THR CA C 41 59.776 59.776 59.729 0.047 25693 5764 1 17 . 1 1 41 41 THR CB C 41 72.930 72.930 72.080 0.850 25693 5765 1 17 . 1 1 41 41 THR H H 41 8.593 8.593 8.716 -0.123 25693 5766 1 17 . 1 1 42 42 LYS N N 42 116.228 116.228 120.711 -4.483 25693 5767 1 17 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.547 -0.140 25693 5768 1 17 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.944 1.556 25693 5769 1 17 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.701 1.632 25693 5770 1 17 . 1 1 42 42 LYS H H 42 8.597 8.597 8.852 -0.255 25693 5771 1 17 . 1 1 43 43 ARG N N 43 113.916 113.916 116.084 -2.168 25693 5772 1 17 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.634 0.017 25693 5773 1 17 . 1 1 43 43 ARG C C 43 176.160 176.160 175.088 1.072 25693 5774 1 17 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.607 -0.395 25693 5775 1 17 . 1 1 43 43 ARG CB C 43 31.550 31.550 33.195 -1.645 25693 5776 1 17 . 1 1 43 43 ARG H H 43 7.753 7.753 7.515 0.238 25693 5777 1 17 . 1 1 44 44 GLY N N 44 107.712 107.712 106.235 1.477 25693 5778 1 17 . 1 1 44 44 GLY C C 44 163.798 163.798 171.999 -8.201 25693 5779 1 17 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.645 0.477 25693 5780 1 17 . 1 1 44 44 GLY H H 44 7.498 7.498 7.608 -0.110 25693 5781 1 17 . 1 1 45 45 LEU N N 45 120.948 120.948 119.914 1.034 25693 5782 1 17 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.227 0.304 25693 5783 1 17 . 1 1 45 45 LEU C C 45 175.801 175.801 174.724 1.077 25693 5784 1 17 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.033 0.168 25693 5785 1 17 . 1 1 45 45 LEU CB C 45 47.446 47.446 47.116 0.330 25693 5786 1 17 . 1 1 45 45 LEU H H 45 8.374 8.374 9.021 -0.647 25693 5787 1 17 . 1 1 46 46 LYS N N 46 124.968 124.968 124.513 0.455 25693 5788 1 17 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.063 0.270 25693 5789 1 17 . 1 1 46 46 LYS C C 46 171.169 171.169 174.284 -3.115 25693 5790 1 17 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.115 0.740 25693 5791 1 17 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.695 1.051 25693 5792 1 17 . 1 1 46 46 LYS H H 46 9.115 9.115 8.908 0.207 25693 5793 1 17 . 1 1 47 47 VAL N N 47 126.006 126.006 127.291 -1.285 25693 5794 1 17 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.248 0.005 25693 5795 1 17 . 1 1 47 47 VAL C C 47 173.892 173.892 173.396 0.496 25693 5796 1 17 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.805 1.135 25693 5797 1 17 . 1 1 47 47 VAL CB C 47 34.851 34.851 34.641 0.210 25693 5798 1 17 . 1 1 47 47 VAL H H 47 9.221 9.221 9.044 0.177 25693 5799 1 17 . 1 1 48 48 CYS N N 48 123.279 123.279 128.510 -5.231 25693 5800 1 17 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.253 0.787 25693 5801 1 17 . 1 1 48 48 CYS C C 48 172.554 172.554 172.707 -0.153 25693 5802 1 17 . 1 1 48 48 CYS CA C 48 55.181 55.181 57.330 -2.148 25693 5803 1 17 . 1 1 48 48 CYS CB C 48 48.662 48.662 30.071 18.591 25693 5804 1 17 . 1 1 48 48 CYS H H 48 9.201 9.201 9.375 -0.174 25693 5805 1 17 . 1 1 49 49 CYS N N 49 119.872 119.872 125.366 -5.494 25693 5806 1 17 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.282 0.397 25693 5807 1 17 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.604 -2.390 25693 5808 1 17 . 1 1 49 49 CYS CB C 49 48.015 48.015 31.572 16.443 25693 5809 1 17 . 1 1 49 49 CYS H H 49 9.117 9.117 8.990 0.127 25693 5810 1 17 . 1 1 50 50 ASP N N 50 123.093 123.093 124.920 -1.827 25693 5811 1 17 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.399 -0.237 25693 5812 1 17 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.748 1.121 25693 5813 1 17 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.559 -1.721 25693 5814 1 17 . 1 1 50 50 ASP H H 50 8.837 8.837 9.242 -0.405 25693 5815 1 17 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.500 0.225 25693 5816 1 17 . 1 1 51 51 PRO C C 51 178.489 178.489 176.914 1.575 25693 5817 1 17 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.721 -0.146 25693 5818 1 17 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.193 1.357 25693 5819 1 17 . 1 1 52 52 GLN N N 52 120.594 120.594 115.084 5.510 25693 5820 1 17 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.043 0.325 25693 5821 1 17 . 1 1 52 52 GLN C C 52 175.779 175.779 175.635 0.144 25693 5822 1 17 . 1 1 52 52 GLN CA C 52 56.155 56.155 57.694 -1.539 25693 5823 1 17 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.837 3.232 25693 5824 1 17 . 1 1 52 52 GLN H H 52 8.504 8.504 8.263 0.241 25693 5825 1 17 . 1 1 53 53 ALA N N 53 124.936 124.936 120.072 4.864 25693 5826 1 17 . 1 1 53 53 ALA HA H 53 4.342 4.342 3.838 0.504 25693 5827 1 17 . 1 1 53 53 ALA CA C 53 53.214 53.214 52.809 0.405 25693 5828 1 17 . 1 1 53 53 ALA CB C 53 19.978 19.978 18.263 1.715 25693 5829 1 17 . 1 1 53 53 ALA H H 53 8.290 8.290 7.797 0.493 25693 5830 1 17 . 1 1 54 54 THR N N 54 112.200 112.200 111.893 0.307 25693 5831 1 17 . 1 1 54 54 THR HA H 54 4.318 4.318 4.146 0.172 25693 5832 1 17 . 1 1 54 54 THR CA C 54 62.594 62.594 62.247 0.347 25693 5833 1 17 . 1 1 54 54 THR CB C 54 70.341 70.341 68.633 1.708 25693 5834 1 17 . 1 1 54 54 THR H H 54 8.011 8.011 8.056 -0.045 25693 5835 1 17 . 1 1 55 55 TRP N N 55 122.937 122.937 127.610 -4.673 25693 5836 1 17 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.676 0.127 25693 5837 1 17 . 1 1 55 55 TRP C C 55 176.602 176.602 177.207 -0.605 25693 5838 1 17 . 1 1 55 55 TRP CA C 55 57.651 57.651 56.347 1.304 25693 5839 1 17 . 1 1 55 55 TRP CB C 55 30.105 30.105 29.632 0.473 25693 5840 1 17 . 1 1 55 55 TRP H H 55 7.979 7.979 8.686 -0.707 25693 5841 1 17 . 1 1 56 56 VAL N N 56 121.829 121.829 117.019 4.810 25693 5842 1 17 . 1 1 56 56 VAL HA H 56 4.031 4.031 3.500 0.531 25693 5843 1 17 . 1 1 56 56 VAL C C 56 175.779 175.779 176.679 -0.900 25693 5844 1 17 . 1 1 56 56 VAL CA C 56 63.060 63.060 64.706 -1.646 25693 5845 1 17 . 1 1 56 56 VAL CB C 56 33.012 33.012 31.028 1.984 25693 5846 1 17 . 1 1 56 56 VAL H H 56 7.817 7.817 8.085 -0.268 25693 5847 1 17 . 1 1 57 57 ARG N N 57 123.817 123.817 119.251 4.566 25693 5848 1 17 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.592 -0.287 25693 5849 1 17 . 1 1 57 57 ARG C C 57 176.484 176.484 176.294 0.190 25693 5850 1 17 . 1 1 57 57 ARG CA C 57 56.741 56.741 55.937 0.804 25693 5851 1 17 . 1 1 57 57 ARG CB C 57 31.502 31.502 31.265 0.237 25693 5852 1 17 . 1 1 57 57 ARG H H 57 8.087 8.087 8.242 -0.155 25693 5853 1 17 . 1 1 58 58 ASP N N 58 121.452 121.452 121.552 -0.100 25693 5854 1 17 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.600 0.117 25693 5855 1 17 . 1 1 58 58 ASP C C 58 177.508 177.508 176.113 1.395 25693 5856 1 17 . 1 1 58 58 ASP CA C 58 54.966 54.966 54.592 0.374 25693 5857 1 17 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.816 0.205 25693 5858 1 17 . 1 1 58 58 ASP H H 58 8.240 8.240 8.129 0.111 25693 5859 1 17 . 1 1 59 59 VAL N N 59 120.104 120.104 124.849 -4.745 25693 5860 1 17 . 1 1 59 59 VAL HA H 59 4.167 4.167 3.872 0.295 25693 5861 1 17 . 1 1 59 59 VAL C C 59 177.636 177.636 174.391 3.245 25693 5862 1 17 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.205 0.941 25693 5863 1 17 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.865 0.511 25693 5864 1 17 . 1 1 59 59 VAL H H 59 8.059 8.059 8.430 -0.371 25693 5865 1 17 . 1 1 60 60 VAL N N 60 123.394 123.394 117.858 5.536 25693 5866 1 17 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.750 0.393 25693 5867 1 17 . 1 1 60 60 VAL C C 60 177.956 177.956 173.480 4.476 25693 5868 1 17 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.410 1.042 25693 5869 1 17 . 1 1 60 60 VAL CB C 60 33.012 33.012 30.679 2.333 25693 5870 1 17 . 1 1 60 60 VAL H H 60 8.115 8.115 7.987 0.128 25693 5871 1 17 . 1 1 61 61 ARG N N 61 124.402 124.402 123.647 0.755 25693 5872 1 17 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.876 -0.243 25693 5873 1 17 . 1 1 61 61 ARG C C 61 177.786 177.786 174.813 2.973 25693 5874 1 17 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.075 1.638 25693 5875 1 17 . 1 1 61 61 ARG CB C 61 31.306 31.306 32.697 -1.391 25693 5876 1 17 . 1 1 61 61 ARG H H 61 8.350 8.350 7.989 0.361 25693 5877 1 17 . 1 1 62 62 SER N N 62 121.629 121.629 117.572 4.057 25693 5878 1 17 . 1 1 62 62 SER HA H 62 4.579 4.579 4.647 -0.068 25693 5879 1 17 . 1 1 62 62 SER C C 62 177.687 177.687 173.104 4.583 25693 5880 1 17 . 1 1 62 62 SER CA C 62 56.270 56.270 57.701 -1.431 25693 5881 1 17 . 1 1 62 62 SER CB C 62 70.537 70.537 65.118 5.419 25693 5882 1 17 . 1 1 62 62 SER H H 62 8.253 8.253 8.596 -0.343 25693 5883 1 17 . 1 1 63 63 MET N N 63 121.452 121.452 125.103 -3.651 25693 5884 1 17 . 1 1 63 63 MET HA H 63 4.706 4.706 4.486 0.220 25693 5885 1 17 . 1 1 63 63 MET C C 63 177.252 177.252 175.271 1.981 25693 5886 1 17 . 1 1 63 63 MET CA C 63 54.861 54.861 55.330 -0.469 25693 5887 1 17 . 1 1 63 63 MET CB C 63 31.514 31.514 32.531 -1.017 25693 5888 1 17 . 1 1 63 63 MET H H 63 8.245 8.245 8.483 -0.238 25693 5889 1 17 . 1 1 64 64 ASP N N 64 120.811 120.811 124.793 -3.982 25693 5890 1 17 . 1 1 64 64 ASP C C 64 177.786 177.786 176.037 1.749 25693 5891 1 17 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.455 3.013 25693 5892 1 17 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.947 -9.570 25693 5893 1 17 . 1 1 64 64 ASP H H 64 8.251 8.251 8.415 -0.164 25693 5894 1 17 . 1 1 65 65 ARG N N 65 120.563 120.563 121.724 -1.161 25693 5895 1 17 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.560 -0.091 25693 5896 1 17 . 1 1 65 65 ARG C C 65 179.397 179.397 176.436 2.961 25693 5897 1 17 . 1 1 65 65 ARG CA C 65 57.080 57.080 55.958 1.122 25693 5898 1 17 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.783 2.727 25693 5899 1 17 . 1 1 65 65 ARG H H 65 8.145 8.145 8.530 -0.385 25693 5900 1 18 . 1 1 2 2 GLY C C 2 176.333 176.333 172.353 3.980 25693 5901 1 18 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.567 8.314 25693 5902 1 18 . 1 1 3 3 SER N N 3 119.606 119.606 115.110 4.496 25693 5903 1 18 . 1 1 3 3 SER C C 3 171.619 171.619 173.394 -1.775 25693 5904 1 18 . 1 1 3 3 SER CA C 3 62.684 62.684 57.867 4.817 25693 5905 1 18 . 1 1 3 3 SER CB C 3 62.684 62.684 64.177 -1.493 25693 5906 1 18 . 1 1 3 3 SER H H 3 8.031 8.031 8.215 -0.184 25693 5907 1 18 . 1 1 4 4 GLU N N 4 122.937 122.937 122.822 0.115 25693 5908 1 18 . 1 1 4 4 GLU C C 4 178.452 178.452 176.428 2.024 25693 5909 1 18 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.075 1.312 25693 5910 1 18 . 1 1 4 4 GLU CB C 4 30.575 30.575 28.408 2.167 25693 5911 1 18 . 1 1 4 4 GLU H H 4 7.979 7.979 8.309 -0.330 25693 5912 1 18 . 1 1 5 5 VAL N N 5 120.522 120.522 121.423 -0.901 25693 5913 1 18 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.527 -0.258 25693 5914 1 18 . 1 1 5 5 VAL CA C 5 62.840 62.840 61.447 1.393 25693 5915 1 18 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.516 0.678 25693 5916 1 18 . 1 1 5 5 VAL H H 5 8.185 8.185 7.902 0.283 25693 5917 1 18 . 1 1 6 6 SER N N 6 119.109 119.109 119.660 -0.551 25693 5918 1 18 . 1 1 6 6 SER HA H 6 4.560 4.560 4.446 0.114 25693 5919 1 18 . 1 1 6 6 SER CA C 6 58.826 58.826 60.275 -1.449 25693 5920 1 18 . 1 1 6 6 SER CB C 6 64.865 64.865 63.697 1.168 25693 5921 1 18 . 1 1 6 6 SER H H 6 8.340 8.340 8.819 -0.479 25693 5922 1 18 . 1 1 7 7 ASP N N 7 122.786 122.786 122.369 0.417 25693 5923 1 18 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.719 -0.013 25693 5924 1 18 . 1 1 7 7 ASP C C 7 177.572 177.572 174.646 2.926 25693 5925 1 18 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.562 0.374 25693 5926 1 18 . 1 1 7 7 ASP CB C 7 41.984 41.984 39.594 2.390 25693 5927 1 18 . 1 1 7 7 ASP H H 7 8.347 8.347 8.336 0.011 25693 5928 1 18 . 1 1 8 8 LYS N N 8 119.939 119.939 120.316 -0.377 25693 5929 1 18 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.502 -0.095 25693 5930 1 18 . 1 1 8 8 LYS C C 8 178.323 178.323 174.483 3.840 25693 5931 1 18 . 1 1 8 8 LYS CA C 8 56.844 56.844 55.205 1.639 25693 5932 1 18 . 1 1 8 8 LYS CB C 8 31.076 31.076 35.719 -4.643 25693 5933 1 18 . 1 1 8 8 LYS H H 8 8.060 8.060 7.963 0.097 25693 5934 1 18 . 1 1 9 9 ARG N N 9 121.813 121.813 120.274 1.539 25693 5935 1 18 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.631 -0.162 25693 5936 1 18 . 1 1 9 9 ARG C C 9 178.148 178.148 176.039 2.109 25693 5937 1 18 . 1 1 9 9 ARG CA C 9 56.779 56.779 54.804 1.975 25693 5938 1 18 . 1 1 9 9 ARG CB C 9 31.062 31.062 30.967 0.095 25693 5939 1 18 . 1 1 9 9 ARG H H 9 8.352 8.352 8.681 -0.329 25693 5940 1 18 . 1 1 10 10 THR N N 10 116.680 116.680 117.401 -0.721 25693 5941 1 18 . 1 1 10 10 THR HA H 10 4.487 4.487 4.352 0.135 25693 5942 1 18 . 1 1 10 10 THR CA C 10 59.286 59.286 62.270 -2.984 25693 5943 1 18 . 1 1 10 10 THR CB C 10 64.412 64.412 67.791 -3.379 25693 5944 1 18 . 1 1 10 10 THR H H 10 8.263 8.263 8.593 -0.330 25693 5945 1 18 . 1 1 11 11 CYS N N 11 124.443 124.443 123.218 1.225 25693 5946 1 18 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.924 1.368 25693 5947 1 18 . 1 1 11 11 CYS C C 11 169.873 169.873 174.216 -4.343 25693 5948 1 18 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.739 -2.129 25693 5949 1 18 . 1 1 11 11 CYS CB C 11 44.241 44.241 31.130 13.111 25693 5950 1 18 . 1 1 11 11 CYS H H 11 8.166 8.166 7.926 0.240 25693 5951 1 18 . 1 1 12 12 VAL N N 12 118.379 118.379 120.305 -1.926 25693 5952 1 18 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.596 0.117 25693 5953 1 18 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.813 0.157 25693 5954 1 18 . 1 1 12 12 VAL CB C 12 35.720 35.720 34.671 1.049 25693 5955 1 18 . 1 1 12 12 VAL H H 12 9.190 9.190 9.236 -0.046 25693 5956 1 18 . 1 1 13 13 SER N N 13 118.231 118.231 119.660 -1.429 25693 5957 1 18 . 1 1 13 13 SER HA H 13 5.457 5.457 5.109 0.348 25693 5958 1 18 . 1 1 13 13 SER CA C 13 57.815 57.815 57.114 0.701 25693 5959 1 18 . 1 1 13 13 SER CB C 13 66.744 66.744 65.106 1.637 25693 5960 1 18 . 1 1 13 13 SER H H 13 8.477 8.477 8.235 0.242 25693 5961 1 18 . 1 1 14 14 LEU N N 14 125.590 125.590 126.412 -0.822 25693 5962 1 18 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.699 0.117 25693 5963 1 18 . 1 1 14 14 LEU C C 14 176.497 176.497 176.057 0.440 25693 5964 1 18 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.169 0.900 25693 5965 1 18 . 1 1 14 14 LEU CB C 14 45.750 45.750 44.880 0.870 25693 5966 1 18 . 1 1 14 14 LEU H H 14 9.031 9.031 9.259 -0.228 25693 5967 1 18 . 1 1 15 15 THR N N 15 121.083 121.083 121.161 -0.078 25693 5968 1 18 . 1 1 15 15 THR HA H 15 4.870 4.870 4.762 0.108 25693 5969 1 18 . 1 1 15 15 THR C C 15 171.445 171.445 173.843 -2.398 25693 5970 1 18 . 1 1 15 15 THR CA C 15 62.607 62.607 62.181 0.426 25693 5971 1 18 . 1 1 15 15 THR CB C 15 70.127 70.127 69.454 0.673 25693 5972 1 18 . 1 1 15 15 THR H H 15 8.684 8.684 8.579 0.105 25693 5973 1 18 . 1 1 16 16 THR N N 16 117.142 117.142 120.193 -3.051 25693 5974 1 18 . 1 1 16 16 THR HA H 16 4.724 4.724 4.532 0.192 25693 5975 1 18 . 1 1 16 16 THR CA C 16 61.091 61.091 61.203 -0.112 25693 5976 1 18 . 1 1 16 16 THR CB C 16 71.260 71.260 70.175 1.085 25693 5977 1 18 . 1 1 16 16 THR H H 16 8.114 8.114 8.514 -0.400 25693 5978 1 18 . 1 1 17 17 GLN N N 17 119.423 119.423 122.288 -2.865 25693 5979 1 18 . 1 1 17 17 GLN HA H 17 4.497 4.497 3.934 0.563 25693 5980 1 18 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.245 -0.683 25693 5981 1 18 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.500 1.344 25693 5982 1 18 . 1 1 17 17 GLN H H 17 8.260 8.260 8.741 -0.481 25693 5983 1 18 . 1 1 18 18 ARG N N 18 119.630 119.630 116.500 3.130 25693 5984 1 18 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.588 -0.081 25693 5985 1 18 . 1 1 18 18 ARG C C 18 177.434 177.434 174.877 2.557 25693 5986 1 18 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.509 1.602 25693 5987 1 18 . 1 1 18 18 ARG CB C 18 30.895 30.895 30.655 0.240 25693 5988 1 18 . 1 1 18 18 ARG H H 18 8.190 8.190 8.491 -0.301 25693 5989 1 18 . 1 1 19 19 LEU N N 19 125.797 125.797 124.439 1.358 25693 5990 1 18 . 1 1 19 19 LEU CA C 19 52.241 52.241 52.277 -0.036 25693 5991 1 18 . 1 1 19 19 LEU CB C 19 43.403 43.403 41.669 1.734 25693 5992 1 18 . 1 1 19 19 LEU H H 19 8.674 8.674 7.932 0.742 25693 5993 1 18 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.469 0.319 25693 5994 1 18 . 1 1 20 20 PRO C C 20 177.352 177.352 175.632 1.720 25693 5995 1 18 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.660 0.486 25693 5996 1 18 . 1 1 20 20 PRO CB C 20 29.492 29.492 31.988 -2.496 25693 5997 1 18 . 1 1 21 21 VAL N N 21 119.308 119.308 117.533 1.775 25693 5998 1 18 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.372 -0.234 25693 5999 1 18 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.506 0.802 25693 6000 1 18 . 1 1 21 21 VAL CB C 21 34.628 34.628 33.849 0.779 25693 6001 1 18 . 1 1 21 21 VAL H H 21 7.850 7.850 7.767 0.083 25693 6002 1 18 . 1 1 22 22 SER N N 22 121.709 121.709 118.486 3.223 25693 6003 1 18 . 1 1 22 22 SER HA H 22 4.589 4.589 4.260 0.329 25693 6004 1 18 . 1 1 22 22 SER C C 22 170.922 170.922 174.809 -3.887 25693 6005 1 18 . 1 1 22 22 SER CA C 22 59.316 59.316 60.698 -1.382 25693 6006 1 18 . 1 1 22 22 SER CB C 22 64.576 64.576 63.539 1.037 25693 6007 1 18 . 1 1 22 22 SER H H 22 8.671 8.671 8.638 0.033 25693 6008 1 18 . 1 1 23 23 ARG N N 23 120.473 120.473 119.006 1.467 25693 6009 1 18 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.407 0.172 25693 6010 1 18 . 1 1 23 23 ARG C C 23 171.215 171.215 174.765 -3.550 25693 6011 1 18 . 1 1 23 23 ARG CA C 23 55.396 55.396 54.899 0.497 25693 6012 1 18 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.952 -0.561 25693 6013 1 18 . 1 1 23 23 ARG H H 23 7.828 7.828 7.741 0.087 25693 6014 1 18 . 1 1 24 24 ILE N N 24 120.563 120.563 124.728 -4.165 25693 6015 1 18 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.460 -0.024 25693 6016 1 18 . 1 1 24 24 ILE C C 24 176.100 176.100 175.788 0.312 25693 6017 1 18 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.711 2.792 25693 6018 1 18 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.272 3.237 25693 6019 1 18 . 1 1 24 24 ILE H H 24 8.085 8.085 8.432 -0.347 25693 6020 1 18 . 1 1 25 25 LYS N N 25 127.474 127.474 124.673 2.801 25693 6021 1 18 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.520 0.251 25693 6022 1 18 . 1 1 25 25 LYS C C 25 173.336 173.336 175.539 -2.203 25693 6023 1 18 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.303 0.817 25693 6024 1 18 . 1 1 25 25 LYS CB C 25 35.825 35.825 34.595 1.230 25693 6025 1 18 . 1 1 25 25 LYS H H 25 8.526 8.526 7.807 0.719 25693 6026 1 18 . 1 1 26 26 THR N N 26 114.644 114.644 113.151 1.493 25693 6027 1 18 . 1 1 26 26 THR HA H 26 5.512 5.512 5.272 0.240 25693 6028 1 18 . 1 1 26 26 THR C C 26 169.422 169.422 173.837 -4.415 25693 6029 1 18 . 1 1 26 26 THR CA C 26 60.264 60.264 59.884 0.380 25693 6030 1 18 . 1 1 26 26 THR CB C 26 72.098 72.098 70.498 1.600 25693 6031 1 18 . 1 1 26 26 THR H H 26 7.998 7.998 7.898 0.100 25693 6032 1 18 . 1 1 27 27 TYR N N 27 122.745 122.745 125.942 -3.197 25693 6033 1 18 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.614 0.263 25693 6034 1 18 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.015 0.316 25693 6035 1 18 . 1 1 27 27 TYR CB C 27 42.601 42.601 40.620 1.981 25693 6036 1 18 . 1 1 27 27 TYR H H 27 8.848 8.848 8.760 0.088 25693 6037 1 18 . 1 1 28 28 THR N N 28 117.167 117.167 121.227 -4.060 25693 6038 1 18 . 1 1 28 28 THR HA H 28 5.005 5.005 5.183 -0.178 25693 6039 1 18 . 1 1 28 28 THR C C 28 169.027 169.027 173.974 -4.947 25693 6040 1 18 . 1 1 28 28 THR CA C 28 61.921 61.921 61.736 0.185 25693 6041 1 18 . 1 1 28 28 THR CB C 28 70.988 70.988 69.721 1.267 25693 6042 1 18 . 1 1 28 28 THR H H 28 8.532 8.532 8.624 -0.092 25693 6043 1 18 . 1 1 29 29 ILE N N 29 124.474 124.474 125.776 -1.302 25693 6044 1 18 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.560 -0.208 25693 6045 1 18 . 1 1 29 29 ILE C C 29 171.747 171.747 174.686 -2.939 25693 6046 1 18 . 1 1 29 29 ILE CA C 29 60.205 60.205 59.846 0.359 25693 6047 1 18 . 1 1 29 29 ILE CB C 29 42.025 42.025 41.560 0.465 25693 6048 1 18 . 1 1 29 29 ILE H H 29 8.782 8.782 9.215 -0.433 25693 6049 1 18 . 1 1 30 30 THR N N 30 120.157 120.157 115.534 4.623 25693 6050 1 18 . 1 1 30 30 THR HA H 30 5.143 5.143 5.349 -0.206 25693 6051 1 18 . 1 1 30 30 THR C C 30 170.054 170.054 174.431 -4.377 25693 6052 1 18 . 1 1 30 30 THR CA C 30 60.664 60.664 60.116 0.548 25693 6053 1 18 . 1 1 30 30 THR CB C 30 71.397 71.397 69.620 1.777 25693 6054 1 18 . 1 1 30 30 THR H H 30 8.475 8.475 8.279 0.196 25693 6055 1 18 . 1 1 31 31 GLU N N 31 126.425 126.425 127.017 -0.592 25693 6056 1 18 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.521 0.130 25693 6057 1 18 . 1 1 31 31 GLU C C 31 176.004 176.004 177.035 -1.031 25693 6058 1 18 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.078 0.134 25693 6059 1 18 . 1 1 31 31 GLU CB C 31 31.637 31.637 28.734 2.903 25693 6060 1 18 . 1 1 31 31 GLU H H 31 8.589 8.589 8.180 0.409 25693 6061 1 18 . 1 1 32 32 GLY N N 32 116.534 116.534 115.806 0.728 25693 6062 1 18 . 1 1 32 32 GLY CA C 32 47.692 47.692 46.561 1.131 25693 6063 1 18 . 1 1 32 32 GLY H H 32 8.996 8.996 8.496 0.500 25693 6064 1 18 . 1 1 33 33 SER HA H 33 4.452 4.452 4.784 -0.332 25693 6065 1 18 . 1 1 33 33 SER C C 33 173.267 173.267 173.079 0.188 25693 6066 1 18 . 1 1 33 33 SER CA C 33 59.715 59.715 57.910 1.806 25693 6067 1 18 . 1 1 33 33 SER CB C 33 59.715 59.715 64.749 -5.035 25693 6068 1 18 . 1 1 34 34 LEU N N 34 116.305 116.305 123.441 -7.136 25693 6069 1 18 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.756 -0.095 25693 6070 1 18 . 1 1 34 34 LEU C C 34 173.314 173.314 174.557 -1.243 25693 6071 1 18 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.077 1.227 25693 6072 1 18 . 1 1 34 34 LEU CB C 34 44.132 44.132 44.679 -0.547 25693 6073 1 18 . 1 1 34 34 LEU H H 34 8.425 8.425 7.425 1.000 25693 6074 1 18 . 1 1 35 35 ARG N N 35 127.474 127.474 124.499 2.975 25693 6075 1 18 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.418 -0.227 25693 6076 1 18 . 1 1 35 35 ARG C C 35 175.720 175.720 175.136 0.584 25693 6077 1 18 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.453 0.851 25693 6078 1 18 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.270 0.538 25693 6079 1 18 . 1 1 35 35 ARG H H 35 8.560 8.560 9.238 -0.678 25693 6080 1 18 . 1 1 36 36 CYS N N 36 122.335 122.335 124.571 -2.236 25693 6081 1 18 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.135 0.714 25693 6082 1 18 . 1 1 36 36 CYS CA C 36 55.839 55.839 58.648 -2.809 25693 6083 1 18 . 1 1 36 36 CYS CB C 36 50.065 50.065 29.194 20.871 25693 6084 1 18 . 1 1 36 36 CYS H H 36 9.179 9.179 9.063 0.116 25693 6085 1 18 . 1 1 37 37 VAL N N 37 122.327 122.327 126.269 -3.942 25693 6086 1 18 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.442 -0.690 25693 6087 1 18 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.561 0.545 25693 6088 1 18 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.888 0.272 25693 6089 1 18 . 1 1 37 37 VAL H H 37 9.308 9.308 9.514 -0.206 25693 6090 1 18 . 1 1 38 38 ILE N N 38 126.295 126.295 126.689 -0.394 25693 6091 1 18 . 1 1 38 38 ILE HA H 38 4.848 4.848 4.994 -0.146 25693 6092 1 18 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.153 0.327 25693 6093 1 18 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.116 0.775 25693 6094 1 18 . 1 1 38 38 ILE H H 38 9.014 9.014 9.049 -0.035 25693 6095 1 18 . 1 1 39 39 PHE N N 39 124.882 124.882 127.439 -2.557 25693 6096 1 18 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.244 0.063 25693 6097 1 18 . 1 1 39 39 PHE C C 39 174.855 174.855 175.599 -0.744 25693 6098 1 18 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.361 0.137 25693 6099 1 18 . 1 1 39 39 PHE CB C 39 41.507 41.507 39.853 1.654 25693 6100 1 18 . 1 1 39 39 PHE H H 39 9.700 9.700 9.705 -0.005 25693 6101 1 18 . 1 1 40 40 ILE N N 40 124.722 124.722 127.022 -2.300 25693 6102 1 18 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.418 0.304 25693 6103 1 18 . 1 1 40 40 ILE C C 40 173.603 173.603 175.347 -1.744 25693 6104 1 18 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.276 0.460 25693 6105 1 18 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.179 0.732 25693 6106 1 18 . 1 1 40 40 ILE H H 40 9.313 9.313 8.962 0.351 25693 6107 1 18 . 1 1 41 41 THR N N 41 116.571 116.571 118.344 -1.773 25693 6108 1 18 . 1 1 41 41 THR HA H 41 4.988 4.988 4.811 0.177 25693 6109 1 18 . 1 1 41 41 THR C C 41 171.363 171.363 175.272 -3.909 25693 6110 1 18 . 1 1 41 41 THR CA C 41 59.776 59.776 59.636 0.140 25693 6111 1 18 . 1 1 41 41 THR CB C 41 72.930 72.930 71.931 0.998 25693 6112 1 18 . 1 1 41 41 THR H H 41 8.593 8.593 9.157 -0.564 25693 6113 1 18 . 1 1 42 42 LYS N N 42 116.228 116.228 120.760 -4.532 25693 6114 1 18 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.341 0.066 25693 6115 1 18 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.785 1.715 25693 6116 1 18 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.214 2.119 25693 6117 1 18 . 1 1 42 42 LYS H H 42 8.597 8.597 8.780 -0.183 25693 6118 1 18 . 1 1 43 43 ARG N N 43 113.916 113.916 116.704 -2.788 25693 6119 1 18 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.661 -0.010 25693 6120 1 18 . 1 1 43 43 ARG C C 43 176.160 176.160 175.057 1.103 25693 6121 1 18 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.320 -0.108 25693 6122 1 18 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.237 -0.687 25693 6123 1 18 . 1 1 43 43 ARG H H 43 7.753 7.753 7.451 0.302 25693 6124 1 18 . 1 1 44 44 GLY N N 44 107.712 107.712 107.125 0.587 25693 6125 1 18 . 1 1 44 44 GLY C C 44 163.798 163.798 171.997 -8.199 25693 6126 1 18 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.698 0.424 25693 6127 1 18 . 1 1 44 44 GLY H H 44 7.498 7.498 7.744 -0.246 25693 6128 1 18 . 1 1 45 45 LEU N N 45 120.948 120.948 119.661 1.287 25693 6129 1 18 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.409 0.122 25693 6130 1 18 . 1 1 45 45 LEU C C 45 175.801 175.801 174.776 1.025 25693 6131 1 18 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.294 -0.093 25693 6132 1 18 . 1 1 45 45 LEU CB C 45 47.446 47.446 47.373 0.072 25693 6133 1 18 . 1 1 45 45 LEU H H 45 8.374 8.374 9.013 -0.639 25693 6134 1 18 . 1 1 46 46 LYS N N 46 124.968 124.968 123.070 1.898 25693 6135 1 18 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.012 0.321 25693 6136 1 18 . 1 1 46 46 LYS C C 46 171.169 171.169 174.895 -3.726 25693 6137 1 18 . 1 1 46 46 LYS CA C 46 55.855 55.855 54.986 0.869 25693 6138 1 18 . 1 1 46 46 LYS CB C 46 36.746 36.746 34.903 1.843 25693 6139 1 18 . 1 1 46 46 LYS H H 46 9.115 9.115 9.172 -0.057 25693 6140 1 18 . 1 1 47 47 VAL N N 47 126.006 126.006 122.644 3.362 25693 6141 1 18 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.289 -0.036 25693 6142 1 18 . 1 1 47 47 VAL C C 47 173.892 173.892 173.895 -0.003 25693 6143 1 18 . 1 1 47 47 VAL CA C 47 60.940 60.940 60.137 0.803 25693 6144 1 18 . 1 1 47 47 VAL CB C 47 34.851 34.851 33.008 1.843 25693 6145 1 18 . 1 1 47 47 VAL H H 47 9.221 9.221 9.013 0.208 25693 6146 1 18 . 1 1 48 48 CYS N N 48 123.279 123.279 127.194 -3.915 25693 6147 1 18 . 1 1 48 48 CYS HA H 48 6.040 6.040 4.966 1.074 25693 6148 1 18 . 1 1 48 48 CYS C C 48 172.554 172.554 173.111 -0.557 25693 6149 1 18 . 1 1 48 48 CYS CA C 48 55.181 55.181 57.845 -2.664 25693 6150 1 18 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.498 20.164 25693 6151 1 18 . 1 1 48 48 CYS H H 48 9.201 9.201 9.460 -0.259 25693 6152 1 18 . 1 1 49 49 CYS N N 49 119.872 119.872 128.982 -9.110 25693 6153 1 18 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.276 0.403 25693 6154 1 18 . 1 1 49 49 CYS CA C 49 56.214 56.214 57.794 -1.580 25693 6155 1 18 . 1 1 49 49 CYS CB C 49 48.015 48.015 30.784 17.231 25693 6156 1 18 . 1 1 49 49 CYS H H 49 9.117 9.117 8.849 0.268 25693 6157 1 18 . 1 1 50 50 ASP N N 50 123.093 123.093 126.508 -3.415 25693 6158 1 18 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.358 -0.196 25693 6159 1 18 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.247 1.622 25693 6160 1 18 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.005 -1.167 25693 6161 1 18 . 1 1 50 50 ASP H H 50 8.837 8.837 9.398 -0.561 25693 6162 1 18 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.685 0.040 25693 6163 1 18 . 1 1 51 51 PRO C C 51 178.489 178.489 175.977 2.512 25693 6164 1 18 . 1 1 51 51 PRO CA C 51 63.575 63.575 62.638 0.937 25693 6165 1 18 . 1 1 51 51 PRO CB C 51 32.550 32.550 30.819 1.731 25693 6166 1 18 . 1 1 52 52 GLN N N 52 120.594 120.594 114.537 6.057 25693 6167 1 18 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.474 -0.106 25693 6168 1 18 . 1 1 52 52 GLN C C 52 175.779 175.779 174.706 1.073 25693 6169 1 18 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.344 -0.189 25693 6170 1 18 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.159 3.910 25693 6171 1 18 . 1 1 52 52 GLN H H 52 8.504 8.504 7.928 0.576 25693 6172 1 18 . 1 1 53 53 ALA N N 53 124.936 124.936 124.660 0.276 25693 6173 1 18 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.675 -0.333 25693 6174 1 18 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.567 -0.353 25693 6175 1 18 . 1 1 53 53 ALA CB C 53 19.978 19.978 20.697 -0.719 25693 6176 1 18 . 1 1 53 53 ALA H H 53 8.290 8.290 9.688 -1.398 25693 6177 1 18 . 1 1 54 54 THR N N 54 112.200 112.200 112.659 -0.459 25693 6178 1 18 . 1 1 54 54 THR HA H 54 4.318 4.318 4.595 -0.277 25693 6179 1 18 . 1 1 54 54 THR CA C 54 62.594 62.594 61.526 1.068 25693 6180 1 18 . 1 1 54 54 THR CB C 54 70.341 70.341 68.756 1.585 25693 6181 1 18 . 1 1 54 54 THR H H 54 8.011 8.011 9.361 -1.350 25693 6182 1 18 . 1 1 55 55 TRP N N 55 122.937 122.937 121.900 1.037 25693 6183 1 18 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.596 0.207 25693 6184 1 18 . 1 1 55 55 TRP C C 55 176.602 176.602 176.750 -0.148 25693 6185 1 18 . 1 1 55 55 TRP CA C 55 57.651 57.651 58.405 -0.754 25693 6186 1 18 . 1 1 55 55 TRP CB C 55 30.105 30.105 27.995 2.110 25693 6187 1 18 . 1 1 55 55 TRP H H 55 7.979 7.979 8.578 -0.599 25693 6188 1 18 . 1 1 56 56 VAL N N 56 121.829 121.829 115.151 6.678 25693 6189 1 18 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.015 0.016 25693 6190 1 18 . 1 1 56 56 VAL C C 56 175.779 175.779 175.899 -0.120 25693 6191 1 18 . 1 1 56 56 VAL CA C 56 63.060 63.060 62.215 0.845 25693 6192 1 18 . 1 1 56 56 VAL CB C 56 33.012 33.012 32.153 0.859 25693 6193 1 18 . 1 1 56 56 VAL H H 56 7.817 7.817 7.403 0.414 25693 6194 1 18 . 1 1 57 57 ARG N N 57 123.817 123.817 120.743 3.074 25693 6195 1 18 . 1 1 57 57 ARG HA H 57 4.305 4.305 3.884 0.421 25693 6196 1 18 . 1 1 57 57 ARG C C 57 176.484 176.484 174.697 1.787 25693 6197 1 18 . 1 1 57 57 ARG CA C 57 56.741 56.741 56.962 -0.221 25693 6198 1 18 . 1 1 57 57 ARG CB C 57 31.502 31.502 28.899 2.603 25693 6199 1 18 . 1 1 57 57 ARG H H 57 8.087 8.087 7.700 0.387 25693 6200 1 18 . 1 1 58 58 ASP N N 58 121.452 121.452 125.883 -4.431 25693 6201 1 18 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.739 -0.022 25693 6202 1 18 . 1 1 58 58 ASP C C 58 177.508 177.508 174.505 3.003 25693 6203 1 18 . 1 1 58 58 ASP CA C 58 54.966 54.966 54.639 0.327 25693 6204 1 18 . 1 1 58 58 ASP CB C 58 42.021 42.021 41.710 0.311 25693 6205 1 18 . 1 1 58 58 ASP H H 58 8.240 8.240 8.640 -0.400 25693 6206 1 18 . 1 1 59 59 VAL N N 59 120.104 120.104 122.137 -2.033 25693 6207 1 18 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.487 -0.320 25693 6208 1 18 . 1 1 59 59 VAL C C 59 177.636 177.636 174.860 2.776 25693 6209 1 18 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.187 0.959 25693 6210 1 18 . 1 1 59 59 VAL CB C 59 33.377 33.377 33.851 -0.474 25693 6211 1 18 . 1 1 59 59 VAL H H 59 8.059 8.059 7.900 0.159 25693 6212 1 18 . 1 1 60 60 VAL N N 60 123.394 123.394 120.324 3.070 25693 6213 1 18 . 1 1 60 60 VAL HA H 60 4.143 4.143 3.871 0.272 25693 6214 1 18 . 1 1 60 60 VAL C C 60 177.956 177.956 174.938 3.018 25693 6215 1 18 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.605 0.847 25693 6216 1 18 . 1 1 60 60 VAL CB C 60 33.012 33.012 31.611 1.401 25693 6217 1 18 . 1 1 60 60 VAL H H 60 8.115 8.115 7.842 0.273 25693 6218 1 18 . 1 1 61 61 ARG N N 61 124.402 124.402 125.467 -1.065 25693 6219 1 18 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.150 0.483 25693 6220 1 18 . 1 1 61 61 ARG C C 61 177.786 177.786 176.324 1.462 25693 6221 1 18 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.763 0.950 25693 6222 1 18 . 1 1 61 61 ARG CB C 61 31.306 31.306 29.838 1.468 25693 6223 1 18 . 1 1 61 61 ARG H H 61 8.350 8.350 8.493 -0.143 25693 6224 1 18 . 1 1 62 62 SER N N 62 121.629 121.629 121.947 -0.318 25693 6225 1 18 . 1 1 62 62 SER HA H 62 4.579 4.579 4.450 0.129 25693 6226 1 18 . 1 1 62 62 SER C C 62 177.687 177.687 173.018 4.669 25693 6227 1 18 . 1 1 62 62 SER CA C 62 56.270 56.270 58.257 -1.986 25693 6228 1 18 . 1 1 62 62 SER CB C 62 70.537 70.537 62.968 7.569 25693 6229 1 18 . 1 1 62 62 SER H H 62 8.253 8.253 8.184 0.069 25693 6230 1 18 . 1 1 63 63 MET N N 63 121.452 121.452 125.798 -4.346 25693 6231 1 18 . 1 1 63 63 MET HA H 63 4.706 4.706 4.601 0.105 25693 6232 1 18 . 1 1 63 63 MET C C 63 177.252 177.252 174.994 2.258 25693 6233 1 18 . 1 1 63 63 MET CA C 63 54.861 54.861 55.352 -0.491 25693 6234 1 18 . 1 1 63 63 MET CB C 63 31.514 31.514 34.072 -2.558 25693 6235 1 18 . 1 1 63 63 MET H H 63 8.245 8.245 7.863 0.382 25693 6236 1 18 . 1 1 64 64 ASP N N 64 120.811 120.811 123.822 -3.011 25693 6237 1 18 . 1 1 64 64 ASP C C 64 177.786 177.786 175.541 2.245 25693 6238 1 18 . 1 1 64 64 ASP CA C 64 56.468 56.468 54.609 1.859 25693 6239 1 18 . 1 1 64 64 ASP CB C 64 33.377 33.377 41.290 -7.913 25693 6240 1 18 . 1 1 64 64 ASP H H 64 8.251 8.251 8.459 -0.208 25693 6241 1 18 . 1 1 65 65 ARG N N 65 120.563 120.563 121.879 -1.316 25693 6242 1 18 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.506 -0.037 25693 6243 1 18 . 1 1 65 65 ARG C C 65 179.397 179.397 175.392 4.005 25693 6244 1 18 . 1 1 65 65 ARG CA C 65 57.080 57.080 55.995 1.085 25693 6245 1 18 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.390 3.120 25693 6246 1 18 . 1 1 65 65 ARG H H 65 8.145 8.145 8.244 -0.099 25693 6247 1 19 . 1 1 2 2 GLY C C 2 176.333 176.333 173.852 2.481 25693 6248 1 19 . 1 1 2 2 GLY CA C 2 52.881 52.881 45.055 7.826 25693 6249 1 19 . 1 1 3 3 SER N N 3 119.606 119.606 118.675 0.931 25693 6250 1 19 . 1 1 3 3 SER C C 3 171.619 171.619 173.727 -2.108 25693 6251 1 19 . 1 1 3 3 SER CA C 3 62.684 62.684 58.062 4.622 25693 6252 1 19 . 1 1 3 3 SER CB C 3 62.684 62.684 63.634 -0.950 25693 6253 1 19 . 1 1 3 3 SER H H 3 8.031 8.031 8.177 -0.146 25693 6254 1 19 . 1 1 4 4 GLU N N 4 122.937 122.937 125.082 -2.145 25693 6255 1 19 . 1 1 4 4 GLU C C 4 178.452 178.452 174.940 3.512 25693 6256 1 19 . 1 1 4 4 GLU CA C 4 57.387 57.387 55.465 1.922 25693 6257 1 19 . 1 1 4 4 GLU CB C 4 30.575 30.575 30.312 0.263 25693 6258 1 19 . 1 1 4 4 GLU H H 4 7.979 7.979 8.488 -0.509 25693 6259 1 19 . 1 1 5 5 VAL N N 5 120.522 120.522 117.325 3.197 25693 6260 1 19 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.518 -0.249 25693 6261 1 19 . 1 1 5 5 VAL CA C 5 62.840 62.840 62.122 0.718 25693 6262 1 19 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.636 0.557 25693 6263 1 19 . 1 1 5 5 VAL H H 5 8.185 8.185 8.133 0.052 25693 6264 1 19 . 1 1 6 6 SER N N 6 119.109 119.109 121.342 -2.233 25693 6265 1 19 . 1 1 6 6 SER HA H 6 4.560 4.560 4.593 -0.033 25693 6266 1 19 . 1 1 6 6 SER CA C 6 58.826 58.826 58.058 0.768 25693 6267 1 19 . 1 1 6 6 SER CB C 6 64.865 64.865 64.353 0.512 25693 6268 1 19 . 1 1 6 6 SER H H 6 8.340 8.340 8.428 -0.088 25693 6269 1 19 . 1 1 7 7 ASP N N 7 122.786 122.786 124.781 -1.995 25693 6270 1 19 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.734 -0.028 25693 6271 1 19 . 1 1 7 7 ASP C C 7 177.572 177.572 177.558 0.014 25693 6272 1 19 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.070 0.866 25693 6273 1 19 . 1 1 7 7 ASP CB C 7 41.984 41.984 42.313 -0.329 25693 6274 1 19 . 1 1 7 7 ASP H H 7 8.347 8.347 8.717 -0.370 25693 6275 1 19 . 1 1 8 8 LYS N N 8 119.939 119.939 118.687 1.252 25693 6276 1 19 . 1 1 8 8 LYS HA H 8 4.407 4.407 3.982 0.425 25693 6277 1 19 . 1 1 8 8 LYS C C 8 178.323 178.323 176.011 2.312 25693 6278 1 19 . 1 1 8 8 LYS CA C 8 56.844 56.844 58.520 -1.676 25693 6279 1 19 . 1 1 8 8 LYS CB C 8 31.076 31.076 31.628 -0.552 25693 6280 1 19 . 1 1 8 8 LYS H H 8 8.060 8.060 8.820 -0.760 25693 6281 1 19 . 1 1 9 9 ARG N N 9 121.813 121.813 120.235 1.578 25693 6282 1 19 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.585 -0.116 25693 6283 1 19 . 1 1 9 9 ARG C C 9 178.148 178.148 174.990 3.158 25693 6284 1 19 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.310 1.469 25693 6285 1 19 . 1 1 9 9 ARG CB C 9 31.062 31.062 31.926 -0.864 25693 6286 1 19 . 1 1 9 9 ARG H H 9 8.352 8.352 7.812 0.540 25693 6287 1 19 . 1 1 10 10 THR N N 10 116.680 116.680 120.685 -4.005 25693 6288 1 19 . 1 1 10 10 THR HA H 10 4.487 4.487 4.512 -0.025 25693 6289 1 19 . 1 1 10 10 THR CA C 10 59.286 59.286 63.463 -4.177 25693 6290 1 19 . 1 1 10 10 THR CB C 10 64.412 64.412 67.586 -3.174 25693 6291 1 19 . 1 1 10 10 THR H H 10 8.263 8.263 8.552 -0.289 25693 6292 1 19 . 1 1 11 11 CYS N N 11 124.443 124.443 124.008 0.435 25693 6293 1 19 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.728 1.564 25693 6294 1 19 . 1 1 11 11 CYS C C 11 169.873 169.873 173.998 -4.125 25693 6295 1 19 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.538 -1.927 25693 6296 1 19 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.760 13.481 25693 6297 1 19 . 1 1 11 11 CYS H H 11 8.166 8.166 7.899 0.267 25693 6298 1 19 . 1 1 12 12 VAL N N 12 118.379 118.379 119.360 -0.981 25693 6299 1 19 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.571 0.142 25693 6300 1 19 . 1 1 12 12 VAL CA C 12 60.970 60.970 61.191 -0.221 25693 6301 1 19 . 1 1 12 12 VAL CB C 12 35.720 35.720 34.767 0.953 25693 6302 1 19 . 1 1 12 12 VAL H H 12 9.190 9.190 9.110 0.080 25693 6303 1 19 . 1 1 13 13 SER N N 13 118.231 118.231 119.127 -0.896 25693 6304 1 19 . 1 1 13 13 SER HA H 13 5.457 5.457 5.067 0.390 25693 6305 1 19 . 1 1 13 13 SER CA C 13 57.815 57.815 57.079 0.736 25693 6306 1 19 . 1 1 13 13 SER CB C 13 66.744 66.744 64.964 1.780 25693 6307 1 19 . 1 1 13 13 SER H H 13 8.477 8.477 8.356 0.121 25693 6308 1 19 . 1 1 14 14 LEU N N 14 125.590 125.590 126.606 -1.016 25693 6309 1 19 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.702 0.114 25693 6310 1 19 . 1 1 14 14 LEU C C 14 176.497 176.497 175.668 0.829 25693 6311 1 19 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.253 0.815 25693 6312 1 19 . 1 1 14 14 LEU CB C 14 45.750 45.750 46.240 -0.490 25693 6313 1 19 . 1 1 14 14 LEU H H 14 9.031 9.031 8.934 0.097 25693 6314 1 19 . 1 1 15 15 THR N N 15 121.083 121.083 119.645 1.438 25693 6315 1 19 . 1 1 15 15 THR HA H 15 4.870 4.870 4.733 0.137 25693 6316 1 19 . 1 1 15 15 THR C C 15 171.445 171.445 174.006 -2.561 25693 6317 1 19 . 1 1 15 15 THR CA C 15 62.607 62.607 62.269 0.338 25693 6318 1 19 . 1 1 15 15 THR CB C 15 70.127 70.127 68.873 1.254 25693 6319 1 19 . 1 1 15 15 THR H H 15 8.684 8.684 8.483 0.201 25693 6320 1 19 . 1 1 16 16 THR N N 16 117.142 117.142 118.195 -1.053 25693 6321 1 19 . 1 1 16 16 THR HA H 16 4.724 4.724 4.447 0.277 25693 6322 1 19 . 1 1 16 16 THR CA C 16 61.091 61.091 60.910 0.181 25693 6323 1 19 . 1 1 16 16 THR CB C 16 71.260 71.260 70.387 0.873 25693 6324 1 19 . 1 1 16 16 THR H H 16 8.114 8.114 8.343 -0.229 25693 6325 1 19 . 1 1 17 17 GLN N N 17 119.423 119.423 123.360 -3.937 25693 6326 1 19 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.081 0.416 25693 6327 1 19 . 1 1 17 17 GLN CA C 17 56.561 56.561 56.398 0.163 25693 6328 1 19 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.242 0.602 25693 6329 1 19 . 1 1 17 17 GLN H H 17 8.260 8.260 8.619 -0.359 25693 6330 1 19 . 1 1 18 18 ARG N N 18 119.630 119.630 120.516 -0.886 25693 6331 1 19 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.444 0.063 25693 6332 1 19 . 1 1 18 18 ARG C C 18 177.434 177.434 174.565 2.869 25693 6333 1 19 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.673 1.438 25693 6334 1 19 . 1 1 18 18 ARG CB C 18 30.895 30.895 30.126 0.769 25693 6335 1 19 . 1 1 18 18 ARG H H 18 8.190 8.190 8.513 -0.323 25693 6336 1 19 . 1 1 19 19 LEU N N 19 125.797 125.797 123.380 2.417 25693 6337 1 19 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.870 0.371 25693 6338 1 19 . 1 1 19 19 LEU CB C 19 43.403 43.403 42.698 0.705 25693 6339 1 19 . 1 1 19 19 LEU H H 19 8.674 8.674 7.682 0.992 25693 6340 1 19 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.610 0.178 25693 6341 1 19 . 1 1 20 20 PRO C C 20 177.352 177.352 176.119 1.233 25693 6342 1 19 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.412 0.734 25693 6343 1 19 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.341 -2.849 25693 6344 1 19 . 1 1 21 21 VAL N N 21 119.308 119.308 116.472 2.836 25693 6345 1 19 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.362 -0.224 25693 6346 1 19 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.118 1.190 25693 6347 1 19 . 1 1 21 21 VAL CB C 21 34.628 34.628 33.620 1.008 25693 6348 1 19 . 1 1 21 21 VAL H H 21 7.850 7.850 7.774 0.076 25693 6349 1 19 . 1 1 22 22 SER N N 22 121.709 121.709 120.178 1.531 25693 6350 1 19 . 1 1 22 22 SER HA H 22 4.589 4.589 4.647 -0.058 25693 6351 1 19 . 1 1 22 22 SER C C 22 170.922 170.922 173.093 -2.171 25693 6352 1 19 . 1 1 22 22 SER CA C 22 59.316 59.316 58.162 1.154 25693 6353 1 19 . 1 1 22 22 SER CB C 22 64.576 64.576 63.182 1.394 25693 6354 1 19 . 1 1 22 22 SER H H 22 8.671 8.671 8.625 0.046 25693 6355 1 19 . 1 1 23 23 ARG N N 23 120.473 120.473 123.672 -3.199 25693 6356 1 19 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.057 0.522 25693 6357 1 19 . 1 1 23 23 ARG C C 23 171.215 171.215 174.019 -2.804 25693 6358 1 19 . 1 1 23 23 ARG CA C 23 55.396 55.396 56.474 -1.079 25693 6359 1 19 . 1 1 23 23 ARG CB C 23 32.391 32.391 30.437 1.954 25693 6360 1 19 . 1 1 23 23 ARG H H 23 7.828 7.828 8.475 -0.647 25693 6361 1 19 . 1 1 24 24 ILE N N 24 120.563 120.563 123.588 -3.025 25693 6362 1 19 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.584 -0.149 25693 6363 1 19 . 1 1 24 24 ILE C C 24 176.100 176.100 176.578 -0.478 25693 6364 1 19 . 1 1 24 24 ILE CA C 24 62.503 62.503 60.189 2.314 25693 6365 1 19 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.138 3.371 25693 6366 1 19 . 1 1 24 24 ILE H H 24 8.085 8.085 8.427 -0.342 25693 6367 1 19 . 1 1 25 25 LYS N N 25 127.474 127.474 127.202 0.272 25693 6368 1 19 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.637 0.134 25693 6369 1 19 . 1 1 25 25 LYS C C 25 173.336 173.336 175.410 -2.074 25693 6370 1 19 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.574 0.546 25693 6371 1 19 . 1 1 25 25 LYS CB C 25 35.825 35.825 34.858 0.967 25693 6372 1 19 . 1 1 25 25 LYS H H 25 8.526 8.526 8.039 0.487 25693 6373 1 19 . 1 1 26 26 THR N N 26 114.644 114.644 113.724 0.920 25693 6374 1 19 . 1 1 26 26 THR HA H 26 5.512 5.512 5.495 0.017 25693 6375 1 19 . 1 1 26 26 THR C C 26 169.422 169.422 174.254 -4.832 25693 6376 1 19 . 1 1 26 26 THR CA C 26 60.264 60.264 59.981 0.283 25693 6377 1 19 . 1 1 26 26 THR CB C 26 72.098 72.098 70.678 1.420 25693 6378 1 19 . 1 1 26 26 THR H H 26 7.998 7.998 8.193 -0.195 25693 6379 1 19 . 1 1 27 27 TYR N N 27 122.745 122.745 125.969 -3.224 25693 6380 1 19 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.675 0.202 25693 6381 1 19 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.380 -0.049 25693 6382 1 19 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.379 1.222 25693 6383 1 19 . 1 1 27 27 TYR H H 27 8.848 8.848 8.844 0.004 25693 6384 1 19 . 1 1 28 28 THR N N 28 117.167 117.167 119.860 -2.693 25693 6385 1 19 . 1 1 28 28 THR HA H 28 5.005 5.005 5.523 -0.518 25693 6386 1 19 . 1 1 28 28 THR C C 28 169.027 169.027 173.879 -4.852 25693 6387 1 19 . 1 1 28 28 THR CA C 28 61.921 61.921 61.342 0.580 25693 6388 1 19 . 1 1 28 28 THR CB C 28 70.988 70.988 70.143 0.845 25693 6389 1 19 . 1 1 28 28 THR H H 28 8.532 8.532 8.477 0.055 25693 6390 1 19 . 1 1 29 29 ILE N N 29 124.474 124.474 127.885 -3.411 25693 6391 1 19 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.370 -0.018 25693 6392 1 19 . 1 1 29 29 ILE C C 29 171.747 171.747 175.167 -3.420 25693 6393 1 19 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.592 -0.387 25693 6394 1 19 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.263 1.762 25693 6395 1 19 . 1 1 29 29 ILE H H 29 8.782 8.782 9.174 -0.392 25693 6396 1 19 . 1 1 30 30 THR N N 30 120.157 120.157 119.005 1.152 25693 6397 1 19 . 1 1 30 30 THR HA H 30 5.143 5.143 5.345 -0.202 25693 6398 1 19 . 1 1 30 30 THR C C 30 170.054 170.054 174.374 -4.320 25693 6399 1 19 . 1 1 30 30 THR CA C 30 60.664 60.664 59.895 0.769 25693 6400 1 19 . 1 1 30 30 THR CB C 30 71.397 71.397 69.082 2.315 25693 6401 1 19 . 1 1 30 30 THR H H 30 8.475 8.475 8.570 -0.095 25693 6402 1 19 . 1 1 31 31 GLU N N 31 126.425 126.425 125.247 1.178 25693 6403 1 19 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.456 0.195 25693 6404 1 19 . 1 1 31 31 GLU C C 31 176.004 176.004 176.724 -0.720 25693 6405 1 19 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.069 0.143 25693 6406 1 19 . 1 1 31 31 GLU CB C 31 31.637 31.637 29.320 2.317 25693 6407 1 19 . 1 1 31 31 GLU H H 31 8.589 8.589 8.002 0.587 25693 6408 1 19 . 1 1 32 32 GLY N N 32 116.534 116.534 114.842 1.692 25693 6409 1 19 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.286 2.406 25693 6410 1 19 . 1 1 32 32 GLY H H 32 8.996 8.996 8.498 0.498 25693 6411 1 19 . 1 1 33 33 SER HA H 33 4.452 4.452 4.060 0.392 25693 6412 1 19 . 1 1 33 33 SER C C 33 173.267 173.267 172.827 0.440 25693 6413 1 19 . 1 1 33 33 SER CA C 33 59.715 59.715 58.904 0.811 25693 6414 1 19 . 1 1 33 33 SER CB C 33 59.715 59.715 63.183 -3.468 25693 6415 1 19 . 1 1 34 34 LEU N N 34 116.305 116.305 120.588 -4.283 25693 6416 1 19 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.829 -0.168 25693 6417 1 19 . 1 1 34 34 LEU C C 34 173.314 173.314 174.890 -1.576 25693 6418 1 19 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.225 1.079 25693 6419 1 19 . 1 1 34 34 LEU CB C 34 44.132 44.132 44.345 -0.213 25693 6420 1 19 . 1 1 34 34 LEU H H 34 8.425 8.425 7.693 0.732 25693 6421 1 19 . 1 1 35 35 ARG N N 35 127.474 127.474 126.356 1.118 25693 6422 1 19 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.379 -0.188 25693 6423 1 19 . 1 1 35 35 ARG C C 35 175.720 175.720 174.830 0.890 25693 6424 1 19 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.559 0.745 25693 6425 1 19 . 1 1 35 35 ARG CB C 35 32.808 32.808 31.820 0.988 25693 6426 1 19 . 1 1 35 35 ARG H H 35 8.560 8.560 9.289 -0.729 25693 6427 1 19 . 1 1 36 36 CYS N N 36 122.335 122.335 125.515 -3.180 25693 6428 1 19 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.522 0.327 25693 6429 1 19 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.222 -1.383 25693 6430 1 19 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.084 19.981 25693 6431 1 19 . 1 1 36 36 CYS H H 36 9.179 9.179 9.263 -0.084 25693 6432 1 19 . 1 1 37 37 VAL N N 37 122.327 122.327 129.561 -7.234 25693 6433 1 19 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.083 -0.330 25693 6434 1 19 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.936 0.170 25693 6435 1 19 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.023 1.136 25693 6436 1 19 . 1 1 37 37 VAL H H 37 9.308 9.308 9.142 0.166 25693 6437 1 19 . 1 1 38 38 ILE N N 38 126.295 126.295 126.892 -0.597 25693 6438 1 19 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.083 -0.235 25693 6439 1 19 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.045 0.435 25693 6440 1 19 . 1 1 38 38 ILE CB C 38 40.891 40.891 39.983 0.908 25693 6441 1 19 . 1 1 38 38 ILE H H 38 9.014 9.014 9.008 0.006 25693 6442 1 19 . 1 1 39 39 PHE N N 39 124.882 124.882 127.067 -2.185 25693 6443 1 19 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.333 -0.026 25693 6444 1 19 . 1 1 39 39 PHE C C 39 174.855 174.855 175.801 -0.946 25693 6445 1 19 . 1 1 39 39 PHE CA C 39 56.498 56.498 55.931 0.567 25693 6446 1 19 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.199 1.308 25693 6447 1 19 . 1 1 39 39 PHE H H 39 9.700 9.700 9.533 0.167 25693 6448 1 19 . 1 1 40 40 ILE N N 40 124.722 124.722 126.581 -1.859 25693 6449 1 19 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.457 0.265 25693 6450 1 19 . 1 1 40 40 ILE C C 40 173.603 173.603 175.509 -1.906 25693 6451 1 19 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.105 0.631 25693 6452 1 19 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.280 0.631 25693 6453 1 19 . 1 1 40 40 ILE H H 40 9.313 9.313 9.277 0.036 25693 6454 1 19 . 1 1 41 41 THR N N 41 116.571 116.571 118.441 -1.870 25693 6455 1 19 . 1 1 41 41 THR HA H 41 4.988 4.988 4.837 0.151 25693 6456 1 19 . 1 1 41 41 THR C C 41 171.363 171.363 175.201 -3.838 25693 6457 1 19 . 1 1 41 41 THR CA C 41 59.776 59.776 59.806 -0.030 25693 6458 1 19 . 1 1 41 41 THR CB C 41 72.930 72.930 71.842 1.088 25693 6459 1 19 . 1 1 41 41 THR H H 41 8.593 8.593 9.023 -0.430 25693 6460 1 19 . 1 1 42 42 LYS N N 42 116.228 116.228 119.176 -2.948 25693 6461 1 19 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.218 0.189 25693 6462 1 19 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.947 1.554 25693 6463 1 19 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.876 1.457 25693 6464 1 19 . 1 1 42 42 LYS H H 42 8.597 8.597 8.763 -0.166 25693 6465 1 19 . 1 1 43 43 ARG N N 43 113.916 113.916 119.341 -5.425 25693 6466 1 19 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.801 -0.150 25693 6467 1 19 . 1 1 43 43 ARG C C 43 176.160 176.160 174.962 1.198 25693 6468 1 19 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.209 0.003 25693 6469 1 19 . 1 1 43 43 ARG CB C 43 31.550 31.550 31.165 0.385 25693 6470 1 19 . 1 1 43 43 ARG H H 43 7.753 7.753 7.443 0.310 25693 6471 1 19 . 1 1 44 44 GLY N N 44 107.712 107.712 108.413 -0.701 25693 6472 1 19 . 1 1 44 44 GLY C C 44 163.798 163.798 172.372 -8.574 25693 6473 1 19 . 1 1 44 44 GLY CA C 44 46.122 46.122 44.823 1.299 25693 6474 1 19 . 1 1 44 44 GLY H H 44 7.498 7.498 7.753 -0.255 25693 6475 1 19 . 1 1 45 45 LEU N N 45 120.948 120.948 119.369 1.579 25693 6476 1 19 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.443 0.088 25693 6477 1 19 . 1 1 45 45 LEU C C 45 175.801 175.801 174.788 1.013 25693 6478 1 19 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.537 -0.336 25693 6479 1 19 . 1 1 45 45 LEU CB C 45 47.446 47.446 47.533 -0.087 25693 6480 1 19 . 1 1 45 45 LEU H H 45 8.374 8.374 8.946 -0.572 25693 6481 1 19 . 1 1 46 46 LYS N N 46 124.968 124.968 121.958 3.010 25693 6482 1 19 . 1 1 46 46 LYS HA H 46 5.333 5.333 4.883 0.450 25693 6483 1 19 . 1 1 46 46 LYS C C 46 171.169 171.169 174.851 -3.682 25693 6484 1 19 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.161 0.694 25693 6485 1 19 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.283 1.463 25693 6486 1 19 . 1 1 46 46 LYS H H 46 9.115 9.115 8.977 0.138 25693 6487 1 19 . 1 1 47 47 VAL N N 47 126.006 126.006 122.103 3.903 25693 6488 1 19 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.255 -0.002 25693 6489 1 19 . 1 1 47 47 VAL C C 47 173.892 173.892 173.823 0.069 25693 6490 1 19 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.989 0.951 25693 6491 1 19 . 1 1 47 47 VAL CB C 47 34.851 34.851 33.718 1.133 25693 6492 1 19 . 1 1 47 47 VAL H H 47 9.221 9.221 8.898 0.323 25693 6493 1 19 . 1 1 48 48 CYS N N 48 123.279 123.279 127.035 -3.756 25693 6494 1 19 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.025 1.015 25693 6495 1 19 . 1 1 48 48 CYS C C 48 172.554 172.554 174.274 -1.720 25693 6496 1 19 . 1 1 48 48 CYS CA C 48 55.181 55.181 58.184 -3.003 25693 6497 1 19 . 1 1 48 48 CYS CB C 48 48.662 48.662 27.524 21.138 25693 6498 1 19 . 1 1 48 48 CYS H H 48 9.201 9.201 9.000 0.201 25693 6499 1 19 . 1 1 49 49 CYS N N 49 119.872 119.872 128.008 -8.136 25693 6500 1 19 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.076 0.603 25693 6501 1 19 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.740 -2.526 25693 6502 1 19 . 1 1 49 49 CYS CB C 49 48.015 48.015 27.803 20.212 25693 6503 1 19 . 1 1 49 49 CYS H H 49 9.117 9.117 8.897 0.220 25693 6504 1 19 . 1 1 50 50 ASP N N 50 123.093 123.093 124.606 -1.513 25693 6505 1 19 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.057 0.105 25693 6506 1 19 . 1 1 50 50 ASP CA C 50 52.869 52.869 52.072 0.797 25693 6507 1 19 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.221 -1.383 25693 6508 1 19 . 1 1 50 50 ASP H H 50 8.837 8.837 9.205 -0.368 25693 6509 1 19 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.575 0.150 25693 6510 1 19 . 1 1 51 51 PRO C C 51 178.489 178.489 176.065 2.424 25693 6511 1 19 . 1 1 51 51 PRO CA C 51 63.575 63.575 62.699 0.876 25693 6512 1 19 . 1 1 51 51 PRO CB C 51 32.550 32.550 30.629 1.921 25693 6513 1 19 . 1 1 52 52 GLN N N 52 120.594 120.594 114.000 6.594 25693 6514 1 19 . 1 1 52 52 GLN HA H 52 4.368 4.368 3.846 0.522 25693 6515 1 19 . 1 1 52 52 GLN C C 52 175.779 175.779 175.119 0.660 25693 6516 1 19 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.714 -0.559 25693 6517 1 19 . 1 1 52 52 GLN CB C 52 30.069 30.069 25.735 4.334 25693 6518 1 19 . 1 1 52 52 GLN H H 52 8.504 8.504 8.171 0.333 25693 6519 1 19 . 1 1 53 53 ALA N N 53 124.936 124.936 123.328 1.608 25693 6520 1 19 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.794 -0.452 25693 6521 1 19 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.114 0.100 25693 6522 1 19 . 1 1 53 53 ALA CB C 53 19.978 19.978 21.316 -1.338 25693 6523 1 19 . 1 1 53 53 ALA H H 53 8.290 8.290 9.722 -1.432 25693 6524 1 19 . 1 1 54 54 THR N N 54 112.200 112.200 118.818 -6.618 25693 6525 1 19 . 1 1 54 54 THR HA H 54 4.318 4.318 4.704 -0.386 25693 6526 1 19 . 1 1 54 54 THR CA C 54 62.594 62.594 62.401 0.193 25693 6527 1 19 . 1 1 54 54 THR CB C 54 70.341 70.341 67.890 2.451 25693 6528 1 19 . 1 1 54 54 THR H H 54 8.011 8.011 8.888 -0.877 25693 6529 1 19 . 1 1 55 55 TRP N N 55 122.937 122.937 128.577 -5.640 25693 6530 1 19 . 1 1 55 55 TRP HA H 55 4.803 4.803 5.034 -0.231 25693 6531 1 19 . 1 1 55 55 TRP C C 55 176.602 176.602 174.081 2.521 25693 6532 1 19 . 1 1 55 55 TRP CA C 55 57.651 57.651 55.587 2.064 25693 6533 1 19 . 1 1 55 55 TRP CB C 55 30.105 30.105 28.653 1.452 25693 6534 1 19 . 1 1 55 55 TRP H H 55 7.979 7.979 8.085 -0.106 25693 6535 1 19 . 1 1 56 56 VAL N N 56 121.829 121.829 121.258 0.571 25693 6536 1 19 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.460 -0.429 25693 6537 1 19 . 1 1 56 56 VAL C C 56 175.779 175.779 175.608 0.171 25693 6538 1 19 . 1 1 56 56 VAL CA C 56 63.060 63.060 59.086 3.974 25693 6539 1 19 . 1 1 56 56 VAL CB C 56 33.012 33.012 33.701 -0.689 25693 6540 1 19 . 1 1 56 56 VAL H H 56 7.817 7.817 7.892 -0.075 25693 6541 1 19 . 1 1 57 57 ARG N N 57 123.817 123.817 122.435 1.382 25693 6542 1 19 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.431 -0.126 25693 6543 1 19 . 1 1 57 57 ARG C C 57 176.484 176.484 174.849 1.635 25693 6544 1 19 . 1 1 57 57 ARG CA C 57 56.741 56.741 56.198 0.543 25693 6545 1 19 . 1 1 57 57 ARG CB C 57 31.502 31.502 28.327 3.175 25693 6546 1 19 . 1 1 57 57 ARG H H 57 8.087 8.087 8.350 -0.263 25693 6547 1 19 . 1 1 58 58 ASP N N 58 121.452 121.452 126.688 -5.236 25693 6548 1 19 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.670 0.047 25693 6549 1 19 . 1 1 58 58 ASP C C 58 177.508 177.508 174.335 3.173 25693 6550 1 19 . 1 1 58 58 ASP CA C 58 54.966 54.966 54.779 0.187 25693 6551 1 19 . 1 1 58 58 ASP CB C 58 42.021 42.021 42.662 -0.641 25693 6552 1 19 . 1 1 58 58 ASP H H 58 8.240 8.240 8.261 -0.021 25693 6553 1 19 . 1 1 59 59 VAL N N 59 120.104 120.104 126.519 -6.415 25693 6554 1 19 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.403 -0.236 25693 6555 1 19 . 1 1 59 59 VAL C C 59 177.636 177.636 174.435 3.201 25693 6556 1 19 . 1 1 59 59 VAL CA C 59 63.146 63.146 61.898 1.248 25693 6557 1 19 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.398 0.979 25693 6558 1 19 . 1 1 59 59 VAL H H 59 8.059 8.059 8.122 -0.063 25693 6559 1 19 . 1 1 60 60 VAL N N 60 123.394 123.394 121.370 2.024 25693 6560 1 19 . 1 1 60 60 VAL HA H 60 4.143 4.143 4.330 -0.187 25693 6561 1 19 . 1 1 60 60 VAL C C 60 177.956 177.956 175.694 2.262 25693 6562 1 19 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.674 0.778 25693 6563 1 19 . 1 1 60 60 VAL CB C 60 33.012 33.012 31.991 1.021 25693 6564 1 19 . 1 1 60 60 VAL H H 60 8.115 8.115 8.158 -0.043 25693 6565 1 19 . 1 1 61 61 ARG N N 61 124.402 124.402 125.557 -1.155 25693 6566 1 19 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.522 0.111 25693 6567 1 19 . 1 1 61 61 ARG C C 61 177.786 177.786 175.415 2.371 25693 6568 1 19 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.339 1.374 25693 6569 1 19 . 1 1 61 61 ARG CB C 61 31.306 31.306 29.674 1.632 25693 6570 1 19 . 1 1 61 61 ARG H H 61 8.350 8.350 8.517 -0.167 25693 6571 1 19 . 1 1 62 62 SER N N 62 121.629 121.629 119.715 1.914 25693 6572 1 19 . 1 1 62 62 SER HA H 62 4.579 4.579 4.745 -0.166 25693 6573 1 19 . 1 1 62 62 SER C C 62 177.687 177.687 174.014 3.673 25693 6574 1 19 . 1 1 62 62 SER CA C 62 56.270 56.270 58.079 -1.809 25693 6575 1 19 . 1 1 62 62 SER CB C 62 70.537 70.537 63.683 6.854 25693 6576 1 19 . 1 1 62 62 SER H H 62 8.253 8.253 8.335 -0.082 25693 6577 1 19 . 1 1 63 63 MET N N 63 121.452 121.452 121.774 -0.322 25693 6578 1 19 . 1 1 63 63 MET HA H 63 4.706 4.706 4.803 -0.097 25693 6579 1 19 . 1 1 63 63 MET C C 63 177.252 177.252 174.576 2.676 25693 6580 1 19 . 1 1 63 63 MET CA C 63 54.861 54.861 55.017 -0.156 25693 6581 1 19 . 1 1 63 63 MET CB C 63 31.514 31.514 34.962 -3.448 25693 6582 1 19 . 1 1 63 63 MET H H 63 8.245 8.245 8.319 -0.074 25693 6583 1 19 . 1 1 64 64 ASP N N 64 120.811 120.811 121.309 -0.498 25693 6584 1 19 . 1 1 64 64 ASP C C 64 177.786 177.786 175.099 2.687 25693 6585 1 19 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.713 2.755 25693 6586 1 19 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.459 -9.082 25693 6587 1 19 . 1 1 64 64 ASP H H 64 8.251 8.251 8.621 -0.370 25693 6588 1 19 . 1 1 65 65 ARG N N 65 120.563 120.563 120.724 -0.161 25693 6589 1 19 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.484 -0.015 25693 6590 1 19 . 1 1 65 65 ARG C C 65 179.397 179.397 175.130 4.267 25693 6591 1 19 . 1 1 65 65 ARG CA C 65 57.080 57.080 55.334 1.746 25693 6592 1 19 . 1 1 65 65 ARG CB C 65 33.510 33.510 29.733 3.777 25693 6593 1 19 . 1 1 65 65 ARG H H 65 8.145 8.145 8.444 -0.299 25693 6594 1 20 . 1 1 2 2 GLY C C 2 176.333 176.333 174.545 1.788 25693 6595 1 20 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.874 8.007 25693 6596 1 20 . 1 1 3 3 SER N N 3 119.606 119.606 114.347 5.259 25693 6597 1 20 . 1 1 3 3 SER C C 3 171.619 171.619 173.534 -1.915 25693 6598 1 20 . 1 1 3 3 SER CA C 3 62.684 62.684 58.632 4.052 25693 6599 1 20 . 1 1 3 3 SER CB C 3 62.684 62.684 62.456 0.228 25693 6600 1 20 . 1 1 3 3 SER H H 3 8.031 8.031 8.244 -0.213 25693 6601 1 20 . 1 1 4 4 GLU N N 4 122.937 122.937 120.624 2.313 25693 6602 1 20 . 1 1 4 4 GLU C C 4 178.452 178.452 176.337 2.115 25693 6603 1 20 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.609 0.778 25693 6604 1 20 . 1 1 4 4 GLU CB C 4 30.575 30.575 29.560 1.015 25693 6605 1 20 . 1 1 4 4 GLU H H 4 7.979 7.979 8.277 -0.298 25693 6606 1 20 . 1 1 5 5 VAL N N 5 120.522 120.522 126.800 -6.278 25693 6607 1 20 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.143 0.126 25693 6608 1 20 . 1 1 5 5 VAL CA C 5 62.840 62.840 61.843 0.997 25693 6609 1 20 . 1 1 5 5 VAL CB C 5 33.194 33.194 31.990 1.204 25693 6610 1 20 . 1 1 5 5 VAL H H 5 8.185 8.185 8.365 -0.180 25693 6611 1 20 . 1 1 6 6 SER N N 6 119.109 119.109 123.953 -4.844 25693 6612 1 20 . 1 1 6 6 SER HA H 6 4.560 4.560 4.291 0.269 25693 6613 1 20 . 1 1 6 6 SER CA C 6 58.826 58.826 59.605 -0.778 25693 6614 1 20 . 1 1 6 6 SER CB C 6 64.865 64.865 63.514 1.351 25693 6615 1 20 . 1 1 6 6 SER H H 6 8.340 8.340 8.681 -0.341 25693 6616 1 20 . 1 1 7 7 ASP N N 7 122.786 122.786 121.911 0.875 25693 6617 1 20 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.686 0.020 25693 6618 1 20 . 1 1 7 7 ASP C C 7 177.572 177.572 175.722 1.850 25693 6619 1 20 . 1 1 7 7 ASP CA C 7 54.936 54.936 53.799 1.137 25693 6620 1 20 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.900 0.084 25693 6621 1 20 . 1 1 7 7 ASP H H 7 8.347 8.347 8.241 0.106 25693 6622 1 20 . 1 1 8 8 LYS N N 8 119.939 119.939 118.077 1.862 25693 6623 1 20 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.145 0.262 25693 6624 1 20 . 1 1 8 8 LYS C C 8 178.323 178.323 176.723 1.600 25693 6625 1 20 . 1 1 8 8 LYS CA C 8 56.844 56.844 57.039 -0.195 25693 6626 1 20 . 1 1 8 8 LYS CB C 8 31.076 31.076 32.637 -1.561 25693 6627 1 20 . 1 1 8 8 LYS H H 8 8.060 8.060 8.463 -0.403 25693 6628 1 20 . 1 1 9 9 ARG N N 9 121.813 121.813 120.249 1.564 25693 6629 1 20 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.424 0.045 25693 6630 1 20 . 1 1 9 9 ARG C C 9 178.148 178.148 174.910 3.238 25693 6631 1 20 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.258 1.521 25693 6632 1 20 . 1 1 9 9 ARG CB C 9 31.062 31.062 30.128 0.934 25693 6633 1 20 . 1 1 9 9 ARG H H 9 8.352 8.352 7.731 0.621 25693 6634 1 20 . 1 1 10 10 THR N N 10 116.680 116.680 120.559 -3.879 25693 6635 1 20 . 1 1 10 10 THR HA H 10 4.487 4.487 4.654 -0.167 25693 6636 1 20 . 1 1 10 10 THR CA C 10 59.286 59.286 61.837 -2.551 25693 6637 1 20 . 1 1 10 10 THR CB C 10 64.412 64.412 70.709 -6.297 25693 6638 1 20 . 1 1 10 10 THR H H 10 8.263 8.263 8.253 0.010 25693 6639 1 20 . 1 1 11 11 CYS N N 11 124.443 124.443 121.248 3.195 25693 6640 1 20 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.727 1.565 25693 6641 1 20 . 1 1 11 11 CYS C C 11 169.873 169.873 174.189 -4.316 25693 6642 1 20 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.754 -2.144 25693 6643 1 20 . 1 1 11 11 CYS CB C 11 44.241 44.241 29.915 14.326 25693 6644 1 20 . 1 1 11 11 CYS H H 11 8.166 8.166 8.494 -0.328 25693 6645 1 20 . 1 1 12 12 VAL N N 12 118.379 118.379 121.068 -2.689 25693 6646 1 20 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.634 0.079 25693 6647 1 20 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.780 0.190 25693 6648 1 20 . 1 1 12 12 VAL CB C 12 35.720 35.720 33.861 1.859 25693 6649 1 20 . 1 1 12 12 VAL H H 12 9.190 9.190 8.936 0.254 25693 6650 1 20 . 1 1 13 13 SER N N 13 118.231 118.231 120.507 -2.276 25693 6651 1 20 . 1 1 13 13 SER HA H 13 5.457 5.457 5.178 0.279 25693 6652 1 20 . 1 1 13 13 SER CA C 13 57.815 57.815 56.616 1.199 25693 6653 1 20 . 1 1 13 13 SER CB C 13 66.744 66.744 65.377 1.367 25693 6654 1 20 . 1 1 13 13 SER H H 13 8.477 8.477 8.367 0.110 25693 6655 1 20 . 1 1 14 14 LEU N N 14 125.590 125.590 125.307 0.283 25693 6656 1 20 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.671 0.145 25693 6657 1 20 . 1 1 14 14 LEU C C 14 176.497 176.497 175.985 0.512 25693 6658 1 20 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.085 0.983 25693 6659 1 20 . 1 1 14 14 LEU CB C 14 45.750 45.750 44.374 1.376 25693 6660 1 20 . 1 1 14 14 LEU H H 14 9.031 9.031 9.243 -0.212 25693 6661 1 20 . 1 1 15 15 THR N N 15 121.083 121.083 121.213 -0.130 25693 6662 1 20 . 1 1 15 15 THR HA H 15 4.870 4.870 4.538 0.332 25693 6663 1 20 . 1 1 15 15 THR C C 15 171.445 171.445 173.811 -2.366 25693 6664 1 20 . 1 1 15 15 THR CA C 15 62.607 62.607 62.216 0.391 25693 6665 1 20 . 1 1 15 15 THR CB C 15 70.127 70.127 69.821 0.306 25693 6666 1 20 . 1 1 15 15 THR H H 15 8.684 8.684 8.560 0.124 25693 6667 1 20 . 1 1 16 16 THR N N 16 117.142 117.142 118.231 -1.089 25693 6668 1 20 . 1 1 16 16 THR HA H 16 4.724 4.724 4.646 0.078 25693 6669 1 20 . 1 1 16 16 THR CA C 16 61.091 61.091 60.167 0.924 25693 6670 1 20 . 1 1 16 16 THR CB C 16 71.260 71.260 70.096 1.164 25693 6671 1 20 . 1 1 16 16 THR H H 16 8.114 8.114 8.874 -0.760 25693 6672 1 20 . 1 1 17 17 GLN N N 17 119.423 119.423 120.830 -1.407 25693 6673 1 20 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.148 0.349 25693 6674 1 20 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.012 -0.451 25693 6675 1 20 . 1 1 17 17 GLN CB C 17 29.844 29.844 29.605 0.239 25693 6676 1 20 . 1 1 17 17 GLN H H 17 8.260 8.260 8.430 -0.170 25693 6677 1 20 . 1 1 18 18 ARG N N 18 119.630 119.630 124.590 -4.960 25693 6678 1 20 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.154 0.353 25693 6679 1 20 . 1 1 18 18 ARG C C 18 177.434 177.434 175.575 1.859 25693 6680 1 20 . 1 1 18 18 ARG CA C 18 57.111 57.111 56.598 0.513 25693 6681 1 20 . 1 1 18 18 ARG CB C 18 30.895 30.895 29.182 1.713 25693 6682 1 20 . 1 1 18 18 ARG H H 18 8.190 8.190 8.688 -0.498 25693 6683 1 20 . 1 1 19 19 LEU N N 19 125.797 125.797 126.206 -0.409 25693 6684 1 20 . 1 1 19 19 LEU CA C 19 52.241 52.241 50.850 1.391 25693 6685 1 20 . 1 1 19 19 LEU CB C 19 43.403 43.403 43.272 0.131 25693 6686 1 20 . 1 1 19 19 LEU H H 19 8.674 8.674 7.934 0.740 25693 6687 1 20 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.664 0.124 25693 6688 1 20 . 1 1 20 20 PRO C C 20 177.352 177.352 175.832 1.520 25693 6689 1 20 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.514 0.632 25693 6690 1 20 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.071 -2.579 25693 6691 1 20 . 1 1 21 21 VAL N N 21 119.308 119.308 118.579 0.729 25693 6692 1 20 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.520 -0.382 25693 6693 1 20 . 1 1 21 21 VAL CA C 21 61.308 61.308 59.882 1.426 25693 6694 1 20 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.388 0.240 25693 6695 1 20 . 1 1 21 21 VAL H H 21 7.850 7.850 7.653 0.197 25693 6696 1 20 . 1 1 22 22 SER N N 22 121.709 121.709 116.888 4.821 25693 6697 1 20 . 1 1 22 22 SER HA H 22 4.589 4.589 4.393 0.196 25693 6698 1 20 . 1 1 22 22 SER C C 22 170.922 170.922 174.813 -3.891 25693 6699 1 20 . 1 1 22 22 SER CA C 22 59.316 59.316 60.161 -0.845 25693 6700 1 20 . 1 1 22 22 SER CB C 22 64.576 64.576 63.600 0.976 25693 6701 1 20 . 1 1 22 22 SER H H 22 8.671 8.671 8.421 0.250 25693 6702 1 20 . 1 1 23 23 ARG N N 23 120.473 120.473 116.824 3.649 25693 6703 1 20 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.457 0.122 25693 6704 1 20 . 1 1 23 23 ARG C C 23 171.215 171.215 173.507 -2.292 25693 6705 1 20 . 1 1 23 23 ARG CA C 23 55.396 55.396 54.994 0.402 25693 6706 1 20 . 1 1 23 23 ARG CB C 23 32.391 32.391 32.041 0.350 25693 6707 1 20 . 1 1 23 23 ARG H H 23 7.828 7.828 7.625 0.203 25693 6708 1 20 . 1 1 24 24 ILE N N 24 120.563 120.563 121.579 -1.016 25693 6709 1 20 . 1 1 24 24 ILE HA H 24 4.435 4.435 5.178 -0.743 25693 6710 1 20 . 1 1 24 24 ILE C C 24 176.100 176.100 175.530 0.570 25693 6711 1 20 . 1 1 24 24 ILE CA C 24 62.503 62.503 58.999 3.504 25693 6712 1 20 . 1 1 24 24 ILE CB C 24 39.509 39.509 38.079 1.430 25693 6713 1 20 . 1 1 24 24 ILE H H 24 8.085 8.085 8.295 -0.210 25693 6714 1 20 . 1 1 25 25 LYS N N 25 127.474 127.474 125.075 2.399 25693 6715 1 20 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.551 0.220 25693 6716 1 20 . 1 1 25 25 LYS C C 25 173.336 173.336 174.462 -1.126 25693 6717 1 20 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.005 1.115 25693 6718 1 20 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.423 0.402 25693 6719 1 20 . 1 1 25 25 LYS H H 25 8.526 8.526 8.123 0.403 25693 6720 1 20 . 1 1 26 26 THR N N 26 114.644 114.644 113.613 1.031 25693 6721 1 20 . 1 1 26 26 THR HA H 26 5.512 5.512 5.442 0.070 25693 6722 1 20 . 1 1 26 26 THR C C 26 169.422 169.422 173.630 -4.208 25693 6723 1 20 . 1 1 26 26 THR CA C 26 60.264 60.264 59.789 0.475 25693 6724 1 20 . 1 1 26 26 THR CB C 26 72.098 72.098 70.276 1.822 25693 6725 1 20 . 1 1 26 26 THR H H 26 7.998 7.998 7.847 0.151 25693 6726 1 20 . 1 1 27 27 TYR N N 27 122.745 122.745 124.264 -1.519 25693 6727 1 20 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.691 0.186 25693 6728 1 20 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.819 -0.488 25693 6729 1 20 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.704 0.897 25693 6730 1 20 . 1 1 27 27 TYR H H 27 8.848 8.848 8.411 0.437 25693 6731 1 20 . 1 1 28 28 THR N N 28 117.167 117.167 119.869 -2.702 25693 6732 1 20 . 1 1 28 28 THR HA H 28 5.005 5.005 5.254 -0.249 25693 6733 1 20 . 1 1 28 28 THR C C 28 169.027 169.027 173.343 -4.316 25693 6734 1 20 . 1 1 28 28 THR CA C 28 61.921 61.921 61.749 0.172 25693 6735 1 20 . 1 1 28 28 THR CB C 28 70.988 70.988 69.773 1.215 25693 6736 1 20 . 1 1 28 28 THR H H 28 8.532 8.532 8.662 -0.130 25693 6737 1 20 . 1 1 29 29 ILE N N 29 124.474 124.474 128.029 -3.555 25693 6738 1 20 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.468 -0.116 25693 6739 1 20 . 1 1 29 29 ILE C C 29 171.747 171.747 174.971 -3.224 25693 6740 1 20 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.339 -0.134 25693 6741 1 20 . 1 1 29 29 ILE CB C 29 42.025 42.025 39.755 2.270 25693 6742 1 20 . 1 1 29 29 ILE H H 29 8.782 8.782 9.203 -0.421 25693 6743 1 20 . 1 1 30 30 THR N N 30 120.157 120.157 119.526 0.631 25693 6744 1 20 . 1 1 30 30 THR HA H 30 5.143 5.143 5.634 -0.491 25693 6745 1 20 . 1 1 30 30 THR C C 30 170.054 170.054 174.218 -4.164 25693 6746 1 20 . 1 1 30 30 THR CA C 30 60.664 60.664 59.755 0.909 25693 6747 1 20 . 1 1 30 30 THR CB C 30 71.397 71.397 69.029 2.368 25693 6748 1 20 . 1 1 30 30 THR H H 30 8.475 8.475 8.675 -0.200 25693 6749 1 20 . 1 1 31 31 GLU N N 31 126.425 126.425 124.544 1.881 25693 6750 1 20 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.493 0.158 25693 6751 1 20 . 1 1 31 31 GLU C C 31 176.004 176.004 176.402 -0.398 25693 6752 1 20 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.432 -0.220 25693 6753 1 20 . 1 1 31 31 GLU CB C 31 31.637 31.637 30.337 1.300 25693 6754 1 20 . 1 1 31 31 GLU H H 31 8.589 8.589 7.890 0.699 25693 6755 1 20 . 1 1 32 32 GLY N N 32 116.534 116.534 115.500 1.034 25693 6756 1 20 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.397 2.295 25693 6757 1 20 . 1 1 32 32 GLY H H 32 8.996 8.996 8.841 0.155 25693 6758 1 20 . 1 1 33 33 SER HA H 33 4.452 4.452 4.153 0.299 25693 6759 1 20 . 1 1 33 33 SER C C 33 173.267 173.267 173.026 0.241 25693 6760 1 20 . 1 1 33 33 SER CA C 33 59.715 59.715 58.854 0.861 25693 6761 1 20 . 1 1 33 33 SER CB C 33 59.715 59.715 63.397 -3.682 25693 6762 1 20 . 1 1 34 34 LEU N N 34 116.305 116.305 119.666 -3.361 25693 6763 1 20 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.585 0.076 25693 6764 1 20 . 1 1 34 34 LEU C C 34 173.314 173.314 174.680 -1.366 25693 6765 1 20 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.300 1.004 25693 6766 1 20 . 1 1 34 34 LEU CB C 34 44.132 44.132 44.012 0.120 25693 6767 1 20 . 1 1 34 34 LEU H H 34 8.425 8.425 7.663 0.762 25693 6768 1 20 . 1 1 35 35 ARG N N 35 127.474 127.474 126.105 1.369 25693 6769 1 20 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.332 -0.141 25693 6770 1 20 . 1 1 35 35 ARG C C 35 175.720 175.720 175.199 0.521 25693 6771 1 20 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.584 0.720 25693 6772 1 20 . 1 1 35 35 ARG CB C 35 32.808 32.808 31.723 1.085 25693 6773 1 20 . 1 1 35 35 ARG H H 35 8.560 8.560 9.164 -0.604 25693 6774 1 20 . 1 1 36 36 CYS N N 36 122.335 122.335 124.423 -2.088 25693 6775 1 20 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.363 0.486 25693 6776 1 20 . 1 1 36 36 CYS CA C 36 55.839 55.839 58.411 -2.572 25693 6777 1 20 . 1 1 36 36 CYS CB C 36 50.065 50.065 29.941 20.124 25693 6778 1 20 . 1 1 36 36 CYS H H 36 9.179 9.179 9.327 -0.148 25693 6779 1 20 . 1 1 37 37 VAL N N 37 122.327 122.327 124.362 -2.035 25693 6780 1 20 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.244 -0.491 25693 6781 1 20 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.705 0.401 25693 6782 1 20 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.800 0.359 25693 6783 1 20 . 1 1 37 37 VAL H H 37 9.308 9.308 9.487 -0.179 25693 6784 1 20 . 1 1 38 38 ILE N N 38 126.295 126.295 125.739 0.556 25693 6785 1 20 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.109 -0.261 25693 6786 1 20 . 1 1 38 38 ILE CA C 38 60.480 60.480 59.990 0.490 25693 6787 1 20 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.562 0.329 25693 6788 1 20 . 1 1 38 38 ILE H H 38 9.014 9.014 8.831 0.183 25693 6789 1 20 . 1 1 39 39 PHE N N 39 124.882 124.882 127.098 -2.216 25693 6790 1 20 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.191 0.116 25693 6791 1 20 . 1 1 39 39 PHE C C 39 174.855 174.855 175.614 -0.759 25693 6792 1 20 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.400 0.098 25693 6793 1 20 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.309 1.198 25693 6794 1 20 . 1 1 39 39 PHE H H 39 9.700 9.700 9.431 0.269 25693 6795 1 20 . 1 1 40 40 ILE N N 40 124.722 124.722 126.694 -1.972 25693 6796 1 20 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.504 0.218 25693 6797 1 20 . 1 1 40 40 ILE C C 40 173.603 173.603 175.050 -1.447 25693 6798 1 20 . 1 1 40 40 ILE CA C 40 61.736 61.736 60.851 0.885 25693 6799 1 20 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.337 0.574 25693 6800 1 20 . 1 1 40 40 ILE H H 40 9.313 9.313 8.635 0.678 25693 6801 1 20 . 1 1 41 41 THR N N 41 116.571 116.571 120.587 -4.016 25693 6802 1 20 . 1 1 41 41 THR HA H 41 4.988 4.988 4.794 0.194 25693 6803 1 20 . 1 1 41 41 THR C C 41 171.363 171.363 174.143 -2.780 25693 6804 1 20 . 1 1 41 41 THR CA C 41 59.776 59.776 59.302 0.474 25693 6805 1 20 . 1 1 41 41 THR CB C 41 72.930 72.930 71.510 1.420 25693 6806 1 20 . 1 1 41 41 THR H H 41 8.593 8.593 8.746 -0.153 25693 6807 1 20 . 1 1 42 42 LYS N N 42 116.228 116.228 117.204 -0.976 25693 6808 1 20 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.537 -0.131 25693 6809 1 20 . 1 1 42 42 LYS CA C 42 59.500 59.500 56.468 3.032 25693 6810 1 20 . 1 1 42 42 LYS CB C 42 33.333 33.333 30.952 2.381 25693 6811 1 20 . 1 1 42 42 LYS H H 42 8.597 8.597 8.602 -0.005 25693 6812 1 20 . 1 1 43 43 ARG N N 43 113.916 113.916 117.926 -4.010 25693 6813 1 20 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.483 0.168 25693 6814 1 20 . 1 1 43 43 ARG C C 43 176.160 176.160 174.399 1.761 25693 6815 1 20 . 1 1 43 43 ARG CA C 43 55.212 55.212 56.677 -1.465 25693 6816 1 20 . 1 1 43 43 ARG CB C 43 31.550 31.550 33.242 -1.692 25693 6817 1 20 . 1 1 43 43 ARG H H 43 7.753 7.753 7.595 0.158 25693 6818 1 20 . 1 1 44 44 GLY N N 44 107.712 107.712 105.745 1.967 25693 6819 1 20 . 1 1 44 44 GLY C C 44 163.798 163.798 171.818 -8.020 25693 6820 1 20 . 1 1 44 44 GLY CA C 44 46.122 46.122 44.537 1.585 25693 6821 1 20 . 1 1 44 44 GLY H H 44 7.498 7.498 8.280 -0.782 25693 6822 1 20 . 1 1 45 45 LEU N N 45 120.948 120.948 120.358 0.590 25693 6823 1 20 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.523 0.008 25693 6824 1 20 . 1 1 45 45 LEU C C 45 175.801 175.801 175.119 0.682 25693 6825 1 20 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.175 0.026 25693 6826 1 20 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.757 0.689 25693 6827 1 20 . 1 1 45 45 LEU H H 45 8.374 8.374 9.142 -0.768 25693 6828 1 20 . 1 1 46 46 LYS N N 46 124.968 124.968 123.788 1.180 25693 6829 1 20 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.018 0.315 25693 6830 1 20 . 1 1 46 46 LYS C C 46 171.169 171.169 175.017 -3.848 25693 6831 1 20 . 1 1 46 46 LYS CA C 46 55.855 55.855 54.888 0.967 25693 6832 1 20 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.502 1.244 25693 6833 1 20 . 1 1 46 46 LYS H H 46 9.115 9.115 9.088 0.027 25693 6834 1 20 . 1 1 47 47 VAL N N 47 126.006 126.006 122.404 3.602 25693 6835 1 20 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.245 0.008 25693 6836 1 20 . 1 1 47 47 VAL C C 47 173.892 173.892 173.932 -0.040 25693 6837 1 20 . 1 1 47 47 VAL CA C 47 60.940 60.940 60.145 0.795 25693 6838 1 20 . 1 1 47 47 VAL CB C 47 34.851 34.851 32.879 1.972 25693 6839 1 20 . 1 1 47 47 VAL H H 47 9.221 9.221 8.969 0.252 25693 6840 1 20 . 1 1 48 48 CYS N N 48 123.279 123.279 127.273 -3.994 25693 6841 1 20 . 1 1 48 48 CYS HA H 48 6.040 6.040 4.937 1.103 25693 6842 1 20 . 1 1 48 48 CYS C C 48 172.554 172.554 172.968 -0.414 25693 6843 1 20 . 1 1 48 48 CYS CA C 48 55.181 55.181 57.896 -2.715 25693 6844 1 20 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.710 19.952 25693 6845 1 20 . 1 1 48 48 CYS H H 48 9.201 9.201 9.272 -0.071 25693 6846 1 20 . 1 1 49 49 CYS N N 49 119.872 119.872 128.457 -8.585 25693 6847 1 20 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.331 0.348 25693 6848 1 20 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.018 -1.804 25693 6849 1 20 . 1 1 49 49 CYS CB C 49 48.015 48.015 31.073 16.942 25693 6850 1 20 . 1 1 49 49 CYS H H 49 9.117 9.117 9.008 0.109 25693 6851 1 20 . 1 1 50 50 ASP N N 50 123.093 123.093 124.348 -1.255 25693 6852 1 20 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.115 0.047 25693 6853 1 20 . 1 1 50 50 ASP CA C 50 52.869 52.869 52.323 0.546 25693 6854 1 20 . 1 1 50 50 ASP CB C 50 42.838 42.838 43.940 -1.102 25693 6855 1 20 . 1 1 50 50 ASP H H 50 8.837 8.837 9.226 -0.389 25693 6856 1 20 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.488 0.237 25693 6857 1 20 . 1 1 51 51 PRO C C 51 178.489 178.489 176.086 2.403 25693 6858 1 20 . 1 1 51 51 PRO CA C 51 63.575 63.575 62.877 0.698 25693 6859 1 20 . 1 1 51 51 PRO CB C 51 32.550 32.550 30.787 1.763 25693 6860 1 20 . 1 1 52 52 GLN N N 52 120.594 120.594 114.191 6.403 25693 6861 1 20 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.211 0.157 25693 6862 1 20 . 1 1 52 52 GLN C C 52 175.779 175.779 174.910 0.869 25693 6863 1 20 . 1 1 52 52 GLN CA C 52 56.155 56.155 56.867 -0.712 25693 6864 1 20 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.766 3.303 25693 6865 1 20 . 1 1 52 52 GLN H H 52 8.504 8.504 8.098 0.406 25693 6866 1 20 . 1 1 53 53 ALA N N 53 124.936 124.936 124.467 0.469 25693 6867 1 20 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.309 0.033 25693 6868 1 20 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.384 -0.170 25693 6869 1 20 . 1 1 53 53 ALA CB C 53 19.978 19.978 19.883 0.096 25693 6870 1 20 . 1 1 53 53 ALA H H 53 8.290 8.290 9.380 -1.090 25693 6871 1 20 . 1 1 54 54 THR N N 54 112.200 112.200 112.204 -0.004 25693 6872 1 20 . 1 1 54 54 THR HA H 54 4.318 4.318 4.062 0.256 25693 6873 1 20 . 1 1 54 54 THR CA C 54 62.594 62.594 63.407 -0.813 25693 6874 1 20 . 1 1 54 54 THR CB C 54 70.341 70.341 69.842 0.499 25693 6875 1 20 . 1 1 54 54 THR H H 54 8.011 8.011 8.440 -0.429 25693 6876 1 20 . 1 1 55 55 TRP N N 55 122.937 122.937 119.984 2.953 25693 6877 1 20 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.285 0.518 25693 6878 1 20 . 1 1 55 55 TRP C C 55 176.602 176.602 175.327 1.275 25693 6879 1 20 . 1 1 55 55 TRP CA C 55 57.651 57.651 57.148 0.503 25693 6880 1 20 . 1 1 55 55 TRP CB C 55 30.105 30.105 26.143 3.962 25693 6881 1 20 . 1 1 55 55 TRP H H 55 7.979 7.979 8.618 -0.639 25693 6882 1 20 . 1 1 56 56 VAL N N 56 121.829 121.829 113.246 8.583 25693 6883 1 20 . 1 1 56 56 VAL HA H 56 4.031 4.031 4.007 0.024 25693 6884 1 20 . 1 1 56 56 VAL C C 56 175.779 175.779 175.743 0.036 25693 6885 1 20 . 1 1 56 56 VAL CA C 56 63.060 63.060 61.723 1.337 25693 6886 1 20 . 1 1 56 56 VAL CB C 56 33.012 33.012 32.274 0.738 25693 6887 1 20 . 1 1 56 56 VAL H H 56 7.817 7.817 7.752 0.065 25693 6888 1 20 . 1 1 57 57 ARG N N 57 123.817 123.817 122.732 1.085 25693 6889 1 20 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.716 -0.411 25693 6890 1 20 . 1 1 57 57 ARG C C 57 176.484 176.484 174.813 1.671 25693 6891 1 20 . 1 1 57 57 ARG CA C 57 56.741 56.741 55.313 1.428 25693 6892 1 20 . 1 1 57 57 ARG CB C 57 31.502 31.502 32.632 -1.129 25693 6893 1 20 . 1 1 57 57 ARG H H 57 8.087 8.087 8.539 -0.452 25693 6894 1 20 . 1 1 58 58 ASP N N 58 121.452 121.452 119.844 1.608 25693 6895 1 20 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.842 -0.125 25693 6896 1 20 . 1 1 58 58 ASP C C 58 177.508 177.508 175.323 2.185 25693 6897 1 20 . 1 1 58 58 ASP CA C 58 54.966 54.966 53.483 1.483 25693 6898 1 20 . 1 1 58 58 ASP CB C 58 42.021 42.021 42.466 -0.445 25693 6899 1 20 . 1 1 58 58 ASP H H 58 8.240 8.240 8.290 -0.050 25693 6900 1 20 . 1 1 59 59 VAL N N 59 120.104 120.104 123.559 -3.455 25693 6901 1 20 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.386 -0.219 25693 6902 1 20 . 1 1 59 59 VAL C C 59 177.636 177.636 174.725 2.911 25693 6903 1 20 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.143 1.003 25693 6904 1 20 . 1 1 59 59 VAL CB C 59 33.377 33.377 33.106 0.271 25693 6905 1 20 . 1 1 59 59 VAL H H 59 8.059 8.059 8.529 -0.470 25693 6906 1 20 . 1 1 60 60 VAL N N 60 123.394 123.394 123.388 0.006 25693 6907 1 20 . 1 1 60 60 VAL HA H 60 4.143 4.143 4.266 -0.123 25693 6908 1 20 . 1 1 60 60 VAL C C 60 177.956 177.956 173.293 4.663 25693 6909 1 20 . 1 1 60 60 VAL CA C 60 63.452 63.452 61.212 2.240 25693 6910 1 20 . 1 1 60 60 VAL CB C 60 33.012 33.012 32.649 0.363 25693 6911 1 20 . 1 1 60 60 VAL H H 60 8.115 8.115 7.838 0.277 25693 6912 1 20 . 1 1 61 61 ARG N N 61 124.402 124.402 128.094 -3.692 25693 6913 1 20 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.904 -0.271 25693 6914 1 20 . 1 1 61 61 ARG C C 61 177.786 177.786 175.260 2.526 25693 6915 1 20 . 1 1 61 61 ARG CA C 61 56.713 56.713 54.589 2.124 25693 6916 1 20 . 1 1 61 61 ARG CB C 61 31.306 31.306 30.898 0.408 25693 6917 1 20 . 1 1 61 61 ARG H H 61 8.350 8.350 8.185 0.165 25693 6918 1 20 . 1 1 62 62 SER N N 62 121.629 121.629 121.926 -0.297 25693 6919 1 20 . 1 1 62 62 SER HA H 62 4.579 4.579 4.494 0.085 25693 6920 1 20 . 1 1 62 62 SER C C 62 177.687 177.687 173.463 4.224 25693 6921 1 20 . 1 1 62 62 SER CA C 62 56.270 56.270 57.258 -0.988 25693 6922 1 20 . 1 1 62 62 SER CB C 62 70.537 70.537 63.877 6.660 25693 6923 1 20 . 1 1 62 62 SER H H 62 8.253 8.253 8.406 -0.153 25693 6924 1 20 . 1 1 63 63 MET N N 63 121.452 121.452 128.216 -6.764 25693 6925 1 20 . 1 1 63 63 MET HA H 63 4.706 4.706 5.129 -0.423 25693 6926 1 20 . 1 1 63 63 MET C C 63 177.252 177.252 175.203 2.049 25693 6927 1 20 . 1 1 63 63 MET CA C 63 54.861 54.861 55.031 -0.169 25693 6928 1 20 . 1 1 63 63 MET CB C 63 31.514 31.514 34.289 -2.775 25693 6929 1 20 . 1 1 63 63 MET H H 63 8.245 8.245 8.898 -0.653 25693 6930 1 20 . 1 1 64 64 ASP N N 64 120.811 120.811 127.218 -6.407 25693 6931 1 20 . 1 1 64 64 ASP C C 64 177.786 177.786 174.762 3.024 25693 6932 1 20 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.522 2.946 25693 6933 1 20 . 1 1 64 64 ASP CB C 64 33.377 33.377 43.216 -9.839 25693 6934 1 20 . 1 1 64 64 ASP H H 64 8.251 8.251 8.955 -0.704 25693 6935 1 20 . 1 1 65 65 ARG N N 65 120.563 120.563 122.304 -1.741 25693 6936 1 20 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.608 -0.139 25693 6937 1 20 . 1 1 65 65 ARG C C 65 179.397 179.397 174.878 4.519 25693 6938 1 20 . 1 1 65 65 ARG CA C 65 57.080 57.080 55.952 1.128 25693 6939 1 20 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.638 2.872 25693 6940 1 20 . 1 1 65 65 ARG H H 65 8.145 8.145 8.571 -0.426 25693 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 60 3.307 0.599 3.280 25693 2 1 1 "Average Difference" HA 61 0.386 -0.107 0.374 25693 3 1 1 "Average Difference" C 45 2.656 0.226 2.676 25693 4 1 1 "Average Difference" CA 64 1.639 -0.465 1.584 25693 5 1 1 "Average Difference" CB 61 5.186 -1.686 4.945 25693 6 1 1 "Average Difference" HN 60 0.392 0.038 0.393 25693 7 1 2 "Average Difference" N 60 2.957 0.930 2.831 25693 8 1 2 "Average Difference" HA 61 0.364 -0.076 0.359 25693 9 1 2 "Average Difference" C 45 2.783 0.030 2.814 25693 10 1 2 "Average Difference" CA 64 1.703 -0.601 1.606 25693 11 1 2 "Average Difference" CB 61 5.169 -1.690 4.926 25693 12 1 2 "Average Difference" HN 60 0.371 0.086 0.364 25693 13 1 3 "Average Difference" N 60 3.060 0.614 3.023 25693 14 1 3 "Average Difference" HA 61 0.323 -0.107 0.307 25693 15 1 3 "Average Difference" C 45 2.834 0.062 2.865 25693 16 1 3 "Average Difference" CA 64 1.636 -0.424 1.592 25693 17 1 3 "Average Difference" CB 61 5.239 -1.565 5.042 25693 18 1 3 "Average Difference" HN 60 0.339 0.048 0.338 25693 19 1 4 "Average Difference" N 60 3.254 0.362 3.261 25693 20 1 4 "Average Difference" HA 61 0.360 -0.157 0.326 25693 21 1 4 "Average Difference" C 45 2.648 0.302 2.661 25693 22 1 4 "Average Difference" CA 64 1.763 -0.443 1.720 25693 23 1 4 "Average Difference" CB 61 5.212 -1.756 4.948 25693 24 1 4 "Average Difference" HN 60 0.285 0.040 0.285 25693 25 1 5 "Average Difference" N 60 3.005 0.178 3.025 25693 26 1 5 "Average Difference" HA 61 0.346 -0.139 0.319 25693 27 1 5 "Average Difference" C 45 2.568 0.371 2.569 25693 28 1 5 "Average Difference" CA 64 1.635 -0.533 1.558 25693 29 1 5 "Average Difference" CB 61 5.210 -1.765 4.942 25693 30 1 5 "Average Difference" HN 60 0.349 0.013 0.351 25693 31 1 6 "Average Difference" N 60 3.140 0.301 3.152 25693 32 1 6 "Average Difference" HA 61 0.324 -0.102 0.310 25693 33 1 6 "Average Difference" C 45 2.760 0.207 2.784 25693 34 1 6 "Average Difference" CA 64 1.721 -0.512 1.657 25693 35 1 6 "Average Difference" CB 61 5.096 -1.537 4.899 25693 36 1 6 "Average Difference" HN 60 0.345 0.009 0.348 25693 37 1 7 "Average Difference" N 60 3.252 0.435 3.250 25693 38 1 7 "Average Difference" HA 61 0.353 -0.084 0.346 25693 39 1 7 "Average Difference" C 45 2.616 0.094 2.644 25693 40 1 7 "Average Difference" CA 64 1.710 -0.589 1.618 25693 41 1 7 "Average Difference" CB 61 5.069 -1.558 4.864 25693 42 1 7 "Average Difference" HN 60 0.329 0.028 0.331 25693 43 1 8 "Average Difference" N 60 3.253 0.520 3.238 25693 44 1 8 "Average Difference" HA 61 0.329 -0.132 0.304 25693 45 1 8 "Average Difference" C 45 2.672 0.292 2.686 25693 46 1 8 "Average Difference" CA 64 1.701 -0.414 1.663 25693 47 1 8 "Average Difference" CB 61 5.064 -1.714 4.805 25693 48 1 8 "Average Difference" HN 60 0.357 0.047 0.357 25693 49 1 9 "Average Difference" N 60 3.066 0.694 3.012 25693 50 1 9 "Average Difference" HA 61 0.330 -0.137 0.303 25693 51 1 9 "Average Difference" C 45 2.705 0.289 2.720 25693 52 1 9 "Average Difference" CA 64 1.784 -0.404 1.751 25693 53 1 9 "Average Difference" CB 61 5.160 -1.751 4.894 25693 54 1 9 "Average Difference" HN 60 0.344 0.051 0.343 25693 55 1 10 "Average Difference" N 60 3.186 0.486 3.175 25693 56 1 10 "Average Difference" HA 61 0.338 -0.142 0.309 25693 57 1 10 "Average Difference" C 45 2.694 0.273 2.711 25693 58 1 10 "Average Difference" CA 64 1.722 -0.475 1.668 25693 59 1 10 "Average Difference" CB 61 5.038 -1.754 4.763 25693 60 1 10 "Average Difference" HN 60 0.372 0.026 0.374 25693 61 1 11 "Average Difference" N 60 3.287 0.796 3.216 25693 62 1 11 "Average Difference" HA 61 0.387 -0.138 0.364 25693 63 1 11 "Average Difference" C 45 2.797 0.298 2.812 25693 64 1 11 "Average Difference" CA 64 1.785 -0.435 1.745 25693 65 1 11 "Average Difference" CB 61 5.349 -1.775 5.088 25693 66 1 11 "Average Difference" HN 60 0.305 0.027 0.306 25693 67 1 12 "Average Difference" N 60 2.848 0.740 2.773 25693 68 1 12 "Average Difference" HA 61 0.319 -0.133 0.293 25693 69 1 12 "Average Difference" C 45 2.655 0.405 2.654 25693 70 1 12 "Average Difference" CA 64 1.663 -0.438 1.617 25693 71 1 12 "Average Difference" CB 61 5.305 -1.868 5.007 25693 72 1 12 "Average Difference" HN 60 0.350 0.064 0.347 25693 73 1 13 "Average Difference" N 60 3.418 0.247 3.438 25693 74 1 13 "Average Difference" HA 61 0.375 -0.082 0.368 25693 75 1 13 "Average Difference" C 45 2.706 0.220 2.728 25693 76 1 13 "Average Difference" CA 64 1.855 -0.519 1.795 25693 77 1 13 "Average Difference" CB 61 5.331 -1.597 5.129 25693 78 1 13 "Average Difference" HN 60 0.345 -0.021 0.348 25693 79 1 14 "Average Difference" N 60 3.492 0.990 3.377 25693 80 1 14 "Average Difference" HA 61 0.353 -0.092 0.343 25693 81 1 14 "Average Difference" C 45 2.737 0.051 2.767 25693 82 1 14 "Average Difference" CA 64 1.652 -0.461 1.599 25693 83 1 14 "Average Difference" CB 61 5.240 -1.486 5.066 25693 84 1 14 "Average Difference" HN 60 0.334 0.069 0.329 25693 85 1 15 "Average Difference" N 60 3.120 0.277 3.134 25693 86 1 15 "Average Difference" HA 61 0.335 -0.116 0.317 25693 87 1 15 "Average Difference" C 45 2.726 0.283 2.742 25693 88 1 15 "Average Difference" CA 64 1.635 -0.480 1.576 25693 89 1 15 "Average Difference" CB 61 5.339 -1.587 5.140 25693 90 1 15 "Average Difference" HN 60 0.330 0.059 0.328 25693 91 1 16 "Average Difference" N 60 3.430 0.430 3.431 25693 92 1 16 "Average Difference" HA 61 0.292 -0.083 0.282 25693 93 1 16 "Average Difference" C 45 2.689 0.215 2.711 25693 94 1 16 "Average Difference" CA 64 1.671 -0.442 1.624 25693 95 1 16 "Average Difference" CB 61 5.104 -1.594 4.889 25693 96 1 16 "Average Difference" HN 60 0.338 0.000 0.340 25693 97 1 17 "Average Difference" N 60 3.111 0.278 3.125 25693 98 1 17 "Average Difference" HA 61 0.329 -0.113 0.311 25693 99 1 17 "Average Difference" C 45 2.847 0.196 2.872 25693 100 1 17 "Average Difference" CA 64 1.570 -0.529 1.490 25693 101 1 17 "Average Difference" CB 61 4.958 -1.560 4.745 25693 102 1 17 "Average Difference" HN 60 0.328 0.015 0.330 25693 103 1 18 "Average Difference" N 60 3.061 0.474 3.050 25693 104 1 18 "Average Difference" HA 61 0.358 -0.110 0.343 25693 105 1 18 "Average Difference" C 45 2.913 0.103 2.944 25693 106 1 18 "Average Difference" CA 64 1.687 -0.497 1.624 25693 107 1 18 "Average Difference" CB 61 5.165 -1.781 4.889 25693 108 1 18 "Average Difference" HN 60 0.439 0.053 0.439 25693 109 1 19 "Average Difference" N 60 3.116 0.998 2.977 25693 110 1 19 "Average Difference" HA 61 0.373 -0.093 0.365 25693 111 1 19 "Average Difference" C 45 2.886 0.110 2.917 25693 112 1 19 "Average Difference" CA 64 1.774 -0.603 1.681 25693 113 1 19 "Average Difference" CB 61 5.329 -1.806 5.055 25693 114 1 19 "Average Difference" HN 60 0.405 0.075 0.401 25693 115 1 20 "Average Difference" N 60 3.309 0.529 3.294 25693 116 1 20 "Average Difference" HA 61 0.372 -0.072 0.368 25693 117 1 20 "Average Difference" C 45 2.763 0.006 2.795 25693 118 1 20 "Average Difference" CA 64 1.736 -0.634 1.629 25693 119 1 20 "Average Difference" CB 61 5.132 -1.620 4.910 25693 120 1 20 "Average Difference" HN 60 0.417 0.079 0.413 25693 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 25693 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY C C 2 176.333 176.333 173.936 2.397 25693 2 1 . 1 1 2 2 GLY CA C 2 52.881 52.881 44.850 8.031 25693 3 1 . 1 1 3 3 SER N N 3 119.606 119.606 116.717 2.889 25693 4 1 . 1 1 3 3 SER C C 3 171.619 171.619 174.046 -2.427 25693 5 1 . 1 1 3 3 SER CA C 3 62.684 62.684 58.372 4.312 25693 6 1 . 1 1 3 3 SER CB C 3 62.684 62.684 63.751 -1.067 25693 7 1 . 1 1 3 3 SER H H 3 8.031 8.031 8.203 -0.172 25693 8 1 . 1 1 4 4 GLU N N 4 122.937 122.937 124.265 -1.328 25693 9 1 . 1 1 4 4 GLU C C 4 178.452 178.452 175.767 2.685 25693 10 1 . 1 1 4 4 GLU CA C 4 57.387 57.387 56.149 1.238 25693 11 1 . 1 1 4 4 GLU CB C 4 30.575 30.575 29.951 0.624 25693 12 1 . 1 1 4 4 GLU H H 4 7.979 7.979 8.379 -0.400 25693 13 1 . 1 1 5 5 VAL N N 5 120.522 120.522 122.396 -1.874 25693 14 1 . 1 1 5 5 VAL HA H 5 4.269 4.269 4.309 -0.040 25693 15 1 . 1 1 5 5 VAL CA C 5 62.840 62.840 62.157 0.683 25693 16 1 . 1 1 5 5 VAL CB C 5 33.194 33.194 32.487 0.707 25693 17 1 . 1 1 5 5 VAL H H 5 8.185 8.185 8.229 -0.044 25693 18 1 . 1 1 6 6 SER N N 6 119.109 119.109 119.157 -0.048 25693 19 1 . 1 1 6 6 SER HA H 6 4.560 4.560 4.548 0.012 25693 20 1 . 1 1 6 6 SER CA C 6 58.826 58.826 58.291 0.535 25693 21 1 . 1 1 6 6 SER CB C 6 64.865 64.865 64.205 0.660 25693 22 1 . 1 1 6 6 SER H H 6 8.340 8.340 8.368 -0.028 25693 23 1 . 1 1 7 7 ASP N N 7 122.786 122.786 123.394 -0.608 25693 24 1 . 1 1 7 7 ASP HA H 7 4.706 4.706 4.685 0.021 25693 25 1 . 1 1 7 7 ASP C C 7 177.572 177.572 175.669 1.903 25693 26 1 . 1 1 7 7 ASP CA C 7 54.936 54.936 54.403 0.533 25693 27 1 . 1 1 7 7 ASP CB C 7 41.984 41.984 41.255 0.729 25693 28 1 . 1 1 7 7 ASP H H 7 8.347 8.347 8.400 -0.053 25693 29 1 . 1 1 8 8 LYS N N 8 119.939 119.939 121.446 -1.507 25693 30 1 . 1 1 8 8 LYS HA H 8 4.407 4.407 4.375 0.032 25693 31 1 . 1 1 8 8 LYS C C 8 178.323 178.323 176.007 2.316 25693 32 1 . 1 1 8 8 LYS CA C 8 56.844 56.844 56.268 0.576 25693 33 1 . 1 1 8 8 LYS CB C 8 31.076 31.076 33.766 -2.690 25693 34 1 . 1 1 8 8 LYS H H 8 8.060 8.060 8.281 -0.221 25693 35 1 . 1 1 9 9 ARG N N 9 121.813 121.813 122.018 -0.205 25693 36 1 . 1 1 9 9 ARG HA H 9 4.469 4.469 4.424 0.045 25693 37 1 . 1 1 9 9 ARG C C 9 178.148 178.148 175.526 2.622 25693 38 1 . 1 1 9 9 ARG CA C 9 56.779 56.779 55.719 1.060 25693 39 1 . 1 1 9 9 ARG CB C 9 31.062 31.062 30.144 0.918 25693 40 1 . 1 1 9 9 ARG H H 9 8.352 8.352 8.375 -0.023 25693 41 1 . 1 1 10 10 THR N N 10 116.680 116.680 118.847 -2.167 25693 42 1 . 1 1 10 10 THR HA H 10 4.487 4.487 4.486 0.001 25693 43 1 . 1 1 10 10 THR CA C 10 59.286 59.286 62.249 -2.963 25693 44 1 . 1 1 10 10 THR CB C 10 64.412 64.412 69.351 -4.939 25693 45 1 . 1 1 10 10 THR H H 10 8.263 8.263 8.247 0.016 25693 46 1 . 1 1 11 11 CYS N N 11 124.443 124.443 124.070 0.373 25693 47 1 . 1 1 11 11 CYS HA H 11 6.292 6.292 4.924 1.368 25693 48 1 . 1 1 11 11 CYS C C 11 169.873 169.873 174.133 -4.260 25693 49 1 . 1 1 11 11 CYS CA C 11 55.610 55.610 57.657 -2.047 25693 50 1 . 1 1 11 11 CYS CB C 11 44.241 44.241 30.268 13.973 25693 51 1 . 1 1 11 11 CYS H H 11 8.166 8.166 8.447 -0.281 25693 52 1 . 1 1 12 12 VAL N N 12 118.379 118.379 120.872 -2.493 25693 53 1 . 1 1 12 12 VAL HA H 12 4.713 4.713 4.623 0.090 25693 54 1 . 1 1 12 12 VAL CA C 12 60.970 60.970 60.753 0.217 25693 55 1 . 1 1 12 12 VAL CB C 12 35.720 35.720 34.672 1.048 25693 56 1 . 1 1 12 12 VAL H H 12 9.190 9.190 9.195 -0.005 25693 57 1 . 1 1 13 13 SER N N 13 118.231 118.231 119.786 -1.555 25693 58 1 . 1 1 13 13 SER HA H 13 5.457 5.457 5.184 0.273 25693 59 1 . 1 1 13 13 SER CA C 13 57.815 57.815 56.977 0.838 25693 60 1 . 1 1 13 13 SER CB C 13 66.744 66.744 65.012 1.732 25693 61 1 . 1 1 13 13 SER H H 13 8.477 8.477 8.304 0.173 25693 62 1 . 1 1 14 14 LEU N N 14 125.590 125.590 126.037 -0.447 25693 63 1 . 1 1 14 14 LEU HA H 14 4.816 4.816 4.727 0.089 25693 64 1 . 1 1 14 14 LEU C C 14 176.497 176.497 175.953 0.544 25693 65 1 . 1 1 14 14 LEU CA C 14 55.068 55.068 54.076 0.992 25693 66 1 . 1 1 14 14 LEU CB C 14 45.750 45.750 45.041 0.709 25693 67 1 . 1 1 14 14 LEU H H 14 9.031 9.031 9.079 -0.048 25693 68 1 . 1 1 15 15 THR N N 15 121.083 121.083 117.718 3.365 25693 69 1 . 1 1 15 15 THR HA H 15 4.870 4.870 4.748 0.122 25693 70 1 . 1 1 15 15 THR C C 15 171.445 171.445 173.906 -2.461 25693 71 1 . 1 1 15 15 THR CA C 15 62.607 62.607 61.553 1.054 25693 72 1 . 1 1 15 15 THR CB C 15 70.127 70.127 69.586 0.541 25693 73 1 . 1 1 15 15 THR H H 15 8.684 8.684 8.474 0.210 25693 74 1 . 1 1 16 16 THR N N 16 117.142 117.142 119.046 -1.904 25693 75 1 . 1 1 16 16 THR HA H 16 4.724 4.724 4.542 0.182 25693 76 1 . 1 1 16 16 THR CA C 16 61.091 61.091 60.584 0.507 25693 77 1 . 1 1 16 16 THR CB C 16 71.260 71.260 69.930 1.330 25693 78 1 . 1 1 16 16 THR H H 16 8.114 8.114 8.402 -0.288 25693 79 1 . 1 1 17 17 GLN N N 17 119.423 119.423 121.678 -2.255 25693 80 1 . 1 1 17 17 GLN HA H 17 4.497 4.497 4.071 0.426 25693 81 1 . 1 1 17 17 GLN CA C 17 56.561 56.561 57.181 -0.620 25693 82 1 . 1 1 17 17 GLN CB C 17 29.844 29.844 28.872 0.972 25693 83 1 . 1 1 17 17 GLN H H 17 8.260 8.260 8.587 -0.327 25693 84 1 . 1 1 18 18 ARG N N 18 119.630 119.630 119.327 0.303 25693 85 1 . 1 1 18 18 ARG HA H 18 4.507 4.507 4.449 0.058 25693 86 1 . 1 1 18 18 ARG C C 18 177.434 177.434 174.959 2.475 25693 87 1 . 1 1 18 18 ARG CA C 18 57.111 57.111 55.911 1.200 25693 88 1 . 1 1 18 18 ARG CB C 18 30.895 30.895 30.388 0.507 25693 89 1 . 1 1 18 18 ARG H H 18 8.190 8.190 8.422 -0.232 25693 90 1 . 1 1 19 19 LEU N N 19 125.797 125.797 124.982 0.815 25693 91 1 . 1 1 19 19 LEU CA C 19 52.241 52.241 51.517 0.724 25693 92 1 . 1 1 19 19 LEU CB C 19 43.403 43.403 43.485 -0.082 25693 93 1 . 1 1 19 19 LEU H H 19 8.674 8.674 8.075 0.599 25693 94 1 . 1 1 20 20 PRO HA H 20 4.788 4.788 4.515 0.273 25693 95 1 . 1 1 20 20 PRO C C 20 177.352 177.352 175.932 1.420 25693 96 1 . 1 1 20 20 PRO CA C 20 63.146 63.146 62.943 0.203 25693 97 1 . 1 1 20 20 PRO CB C 20 29.492 29.492 32.017 -2.525 25693 98 1 . 1 1 21 21 VAL N N 21 119.308 119.308 118.161 1.147 25693 99 1 . 1 1 21 21 VAL HA H 21 4.138 4.138 4.463 -0.325 25693 100 1 . 1 1 21 21 VAL CA C 21 61.308 61.308 60.377 0.931 25693 101 1 . 1 1 21 21 VAL CB C 21 34.628 34.628 34.219 0.409 25693 102 1 . 1 1 21 21 VAL H H 21 7.850 7.850 7.829 0.021 25693 103 1 . 1 1 22 22 SER N N 22 121.709 121.709 118.419 3.290 25693 104 1 . 1 1 22 22 SER HA H 22 4.589 4.589 4.460 0.129 25693 105 1 . 1 1 22 22 SER C C 22 170.922 170.922 174.196 -3.274 25693 106 1 . 1 1 22 22 SER CA C 22 59.316 59.316 59.535 -0.219 25693 107 1 . 1 1 22 22 SER CB C 22 64.576 64.576 63.280 1.296 25693 108 1 . 1 1 22 22 SER H H 22 8.671 8.671 8.607 0.064 25693 109 1 . 1 1 23 23 ARG N N 23 120.473 120.473 119.789 0.684 25693 110 1 . 1 1 23 23 ARG HA H 23 4.579 4.579 4.352 0.227 25693 111 1 . 1 1 23 23 ARG C C 23 171.215 171.215 174.063 -2.848 25693 112 1 . 1 1 23 23 ARG CA C 23 55.396 55.396 55.602 -0.207 25693 113 1 . 1 1 23 23 ARG CB C 23 32.391 32.391 31.628 0.764 25693 114 1 . 1 1 23 23 ARG H H 23 7.828 7.828 7.747 0.081 25693 115 1 . 1 1 24 24 ILE N N 24 120.563 120.563 123.275 -2.712 25693 116 1 . 1 1 24 24 ILE HA H 24 4.435 4.435 4.753 -0.318 25693 117 1 . 1 1 24 24 ILE C C 24 176.100 176.100 176.206 -0.106 25693 118 1 . 1 1 24 24 ILE CA C 24 62.503 62.503 59.900 2.603 25693 119 1 . 1 1 24 24 ILE CB C 24 39.509 39.509 36.966 2.543 25693 120 1 . 1 1 24 24 ILE H H 24 8.085 8.085 8.412 -0.327 25693 121 1 . 1 1 25 25 LYS N N 25 127.474 127.474 127.239 0.235 25693 122 1 . 1 1 25 25 LYS HA H 25 4.771 4.771 4.668 0.103 25693 123 1 . 1 1 25 25 LYS C C 25 173.336 173.336 174.851 -1.515 25693 124 1 . 1 1 25 25 LYS CA C 25 55.120 55.120 54.436 0.684 25693 125 1 . 1 1 25 25 LYS CB C 25 35.825 35.825 35.252 0.573 25693 126 1 . 1 1 25 25 LYS H H 25 8.526 8.526 8.065 0.461 25693 127 1 . 1 1 26 26 THR N N 26 114.644 114.644 112.761 1.883 25693 128 1 . 1 1 26 26 THR HA H 26 5.512 5.512 5.450 0.062 25693 129 1 . 1 1 26 26 THR C C 26 169.422 169.422 173.849 -4.426 25693 130 1 . 1 1 26 26 THR CA C 26 60.264 60.264 59.829 0.435 25693 131 1 . 1 1 26 26 THR CB C 26 72.098 72.098 70.343 1.755 25693 132 1 . 1 1 26 26 THR H H 26 7.998 7.998 8.016 -0.018 25693 133 1 . 1 1 27 27 TYR N N 27 122.745 122.745 125.499 -2.754 25693 134 1 . 1 1 27 27 TYR HA H 27 4.877 4.877 4.649 0.228 25693 135 1 . 1 1 27 27 TYR CA C 27 57.331 57.331 57.205 0.126 25693 136 1 . 1 1 27 27 TYR CB C 27 42.601 42.601 41.337 1.264 25693 137 1 . 1 1 27 27 TYR H H 27 8.848 8.848 8.641 0.207 25693 138 1 . 1 1 28 28 THR N N 28 117.167 117.167 119.299 -2.132 25693 139 1 . 1 1 28 28 THR HA H 28 5.005 5.005 5.398 -0.393 25693 140 1 . 1 1 28 28 THR C C 28 169.027 169.027 173.863 -4.836 25693 141 1 . 1 1 28 28 THR CA C 28 61.921 61.921 61.317 0.604 25693 142 1 . 1 1 28 28 THR CB C 28 70.988 70.988 69.944 1.044 25693 143 1 . 1 1 28 28 THR H H 28 8.532 8.532 8.524 0.008 25693 144 1 . 1 1 29 29 ILE N N 29 124.474 124.474 128.081 -3.607 25693 145 1 . 1 1 29 29 ILE HA H 29 4.352 4.352 4.390 -0.038 25693 146 1 . 1 1 29 29 ILE C C 29 171.747 171.747 175.113 -3.366 25693 147 1 . 1 1 29 29 ILE CA C 29 60.205 60.205 60.460 -0.255 25693 148 1 . 1 1 29 29 ILE CB C 29 42.025 42.025 40.207 1.818 25693 149 1 . 1 1 29 29 ILE H H 29 8.782 8.782 9.128 -0.346 25693 150 1 . 1 1 30 30 THR N N 30 120.157 120.157 118.605 1.552 25693 151 1 . 1 1 30 30 THR HA H 30 5.143 5.143 5.236 -0.093 25693 152 1 . 1 1 30 30 THR C C 30 170.054 170.054 174.031 -3.977 25693 153 1 . 1 1 30 30 THR CA C 30 60.664 60.664 59.999 0.665 25693 154 1 . 1 1 30 30 THR CB C 30 71.397 71.397 69.307 2.090 25693 155 1 . 1 1 30 30 THR H H 30 8.475 8.475 8.566 -0.091 25693 156 1 . 1 1 31 31 GLU N N 31 126.425 126.425 125.080 1.345 25693 157 1 . 1 1 31 31 GLU HA H 31 4.651 4.651 4.485 0.166 25693 158 1 . 1 1 31 31 GLU C C 31 176.004 176.004 176.732 -0.728 25693 159 1 . 1 1 31 31 GLU CA C 31 55.212 55.212 55.483 -0.270 25693 160 1 . 1 1 31 31 GLU CB C 31 31.637 31.637 29.836 1.801 25693 161 1 . 1 1 31 31 GLU H H 31 8.589 8.589 8.262 0.327 25693 162 1 . 1 1 32 32 GLY N N 32 116.534 116.534 114.596 1.938 25693 163 1 . 1 1 32 32 GLY CA C 32 47.692 47.692 45.676 2.016 25693 164 1 . 1 1 32 32 GLY H H 32 8.996 8.996 8.633 0.363 25693 165 1 . 1 1 33 33 SER HA H 33 4.452 4.452 4.280 0.172 25693 166 1 . 1 1 33 33 SER C C 33 173.267 173.267 173.094 0.173 25693 167 1 . 1 1 33 33 SER CA C 33 59.715 59.715 58.701 1.014 25693 168 1 . 1 1 33 33 SER CB C 33 59.715 59.715 63.331 -3.616 25693 169 1 . 1 1 34 34 LEU N N 34 116.305 116.305 121.518 -5.213 25693 170 1 . 1 1 34 34 LEU HA H 34 4.661 4.661 4.697 -0.036 25693 171 1 . 1 1 34 34 LEU C C 34 173.314 173.314 174.691 -1.377 25693 172 1 . 1 1 34 34 LEU CA C 34 55.304 55.304 54.542 0.762 25693 173 1 . 1 1 34 34 LEU CB C 34 44.132 44.132 44.737 -0.605 25693 174 1 . 1 1 34 34 LEU H H 34 8.425 8.425 7.775 0.650 25693 175 1 . 1 1 35 35 ARG N N 35 127.474 127.474 125.125 2.349 25693 176 1 . 1 1 35 35 ARG HA H 35 5.191 5.191 5.363 -0.172 25693 177 1 . 1 1 35 35 ARG C C 35 175.720 175.720 174.769 0.950 25693 178 1 . 1 1 35 35 ARG CA C 35 55.304 55.304 54.567 0.737 25693 179 1 . 1 1 35 35 ARG CB C 35 32.808 32.808 32.588 0.220 25693 180 1 . 1 1 35 35 ARG H H 35 8.560 8.560 9.183 -0.623 25693 181 1 . 1 1 36 36 CYS N N 36 122.335 122.335 123.836 -1.501 25693 182 1 . 1 1 36 36 CYS HA H 36 5.849 5.849 5.518 0.331 25693 183 1 . 1 1 36 36 CYS CA C 36 55.839 55.839 57.620 -1.781 25693 184 1 . 1 1 36 36 CYS CB C 36 50.065 50.065 30.473 19.592 25693 185 1 . 1 1 36 36 CYS H H 36 9.179 9.179 9.182 -0.003 25693 186 1 . 1 1 37 37 VAL N N 37 122.327 122.327 126.920 -4.593 25693 187 1 . 1 1 37 37 VAL HA H 37 4.753 4.753 5.186 -0.433 25693 188 1 . 1 1 37 37 VAL CA C 37 61.106 61.106 60.805 0.301 25693 189 1 . 1 1 37 37 VAL CB C 37 35.159 35.159 34.674 0.485 25693 190 1 . 1 1 37 37 VAL H H 37 9.308 9.308 9.220 0.088 25693 191 1 . 1 1 38 38 ILE N N 38 126.295 126.295 126.400 -0.105 25693 192 1 . 1 1 38 38 ILE HA H 38 4.848 4.848 5.024 -0.176 25693 193 1 . 1 1 38 38 ILE CA C 38 60.480 60.480 60.070 0.410 25693 194 1 . 1 1 38 38 ILE CB C 38 40.891 40.891 40.100 0.791 25693 195 1 . 1 1 38 38 ILE H H 38 9.014 9.014 8.957 0.057 25693 196 1 . 1 1 39 39 PHE N N 39 124.882 124.882 127.326 -2.444 25693 197 1 . 1 1 39 39 PHE HA H 39 5.307 5.307 5.231 0.076 25693 198 1 . 1 1 39 39 PHE C C 39 174.855 174.855 175.596 -0.741 25693 199 1 . 1 1 39 39 PHE CA C 39 56.498 56.498 56.439 0.059 25693 200 1 . 1 1 39 39 PHE CB C 39 41.507 41.507 40.063 1.444 25693 201 1 . 1 1 39 39 PHE H H 39 9.700 9.700 9.588 0.112 25693 202 1 . 1 1 40 40 ILE N N 40 124.722 124.722 126.826 -2.104 25693 203 1 . 1 1 40 40 ILE HA H 40 4.722 4.722 4.445 0.277 25693 204 1 . 1 1 40 40 ILE C C 40 173.603 173.603 175.304 -1.701 25693 205 1 . 1 1 40 40 ILE CA C 40 61.736 61.736 61.148 0.588 25693 206 1 . 1 1 40 40 ILE CB C 40 38.911 38.911 38.164 0.747 25693 207 1 . 1 1 40 40 ILE H H 40 9.313 9.313 8.994 0.319 25693 208 1 . 1 1 41 41 THR N N 41 116.571 116.571 119.095 -2.524 25693 209 1 . 1 1 41 41 THR HA H 41 4.988 4.988 4.829 0.159 25693 210 1 . 1 1 41 41 THR C C 41 171.363 171.363 174.994 -3.631 25693 211 1 . 1 1 41 41 THR CA C 41 59.776 59.776 59.639 0.137 25693 212 1 . 1 1 41 41 THR CB C 41 72.930 72.930 71.772 1.158 25693 213 1 . 1 1 41 41 THR H H 41 8.593 8.593 9.009 -0.416 25693 214 1 . 1 1 42 42 LYS N N 42 116.228 116.228 119.862 -3.634 25693 215 1 . 1 1 42 42 LYS HA H 42 4.407 4.407 4.408 -0.001 25693 216 1 . 1 1 42 42 LYS CA C 42 59.500 59.500 57.555 1.945 25693 217 1 . 1 1 42 42 LYS CB C 42 33.333 33.333 31.416 1.917 25693 218 1 . 1 1 42 42 LYS H H 42 8.597 8.597 8.786 -0.189 25693 219 1 . 1 1 43 43 ARG N N 43 113.916 113.916 117.194 -3.279 25693 220 1 . 1 1 43 43 ARG HA H 43 4.651 4.651 4.616 0.035 25693 221 1 . 1 1 43 43 ARG C C 43 176.160 176.160 175.059 1.101 25693 222 1 . 1 1 43 43 ARG CA C 43 55.212 55.212 55.649 -0.437 25693 223 1 . 1 1 43 43 ARG CB C 43 31.550 31.550 32.098 -0.548 25693 224 1 . 1 1 43 43 ARG H H 43 7.753 7.753 7.559 0.194 25693 225 1 . 1 1 44 44 GLY N N 44 107.712 107.712 106.639 1.073 25693 226 1 . 1 1 44 44 GLY C C 44 163.798 163.798 171.955 -8.157 25693 227 1 . 1 1 44 44 GLY CA C 44 46.122 46.122 45.377 0.745 25693 228 1 . 1 1 44 44 GLY H H 44 7.498 7.498 7.734 -0.236 25693 229 1 . 1 1 45 45 LEU N N 45 120.948 120.948 120.170 0.778 25693 230 1 . 1 1 45 45 LEU HA H 45 5.531 5.531 5.418 0.113 25693 231 1 . 1 1 45 45 LEU C C 45 175.801 175.801 174.941 0.860 25693 232 1 . 1 1 45 45 LEU CA C 45 54.201 54.201 54.054 0.147 25693 233 1 . 1 1 45 45 LEU CB C 45 47.446 47.446 46.912 0.534 25693 234 1 . 1 1 45 45 LEU H H 45 8.374 8.374 8.840 -0.466 25693 235 1 . 1 1 46 46 LYS N N 46 124.968 124.968 123.550 1.418 25693 236 1 . 1 1 46 46 LYS HA H 46 5.333 5.333 5.049 0.284 25693 237 1 . 1 1 46 46 LYS C C 46 171.169 171.169 174.416 -3.247 25693 238 1 . 1 1 46 46 LYS CA C 46 55.855 55.855 55.126 0.729 25693 239 1 . 1 1 46 46 LYS CB C 46 36.746 36.746 35.673 1.073 25693 240 1 . 1 1 46 46 LYS H H 46 9.115 9.115 9.064 0.051 25693 241 1 . 1 1 47 47 VAL N N 47 126.006 126.006 125.490 0.516 25693 242 1 . 1 1 47 47 VAL HA H 47 5.253 5.253 5.255 -0.002 25693 243 1 . 1 1 47 47 VAL C C 47 173.892 173.892 173.386 0.506 25693 244 1 . 1 1 47 47 VAL CA C 47 60.940 60.940 59.836 1.104 25693 245 1 . 1 1 47 47 VAL CB C 47 34.851 34.851 34.621 0.230 25693 246 1 . 1 1 47 47 VAL H H 47 9.221 9.221 9.086 0.135 25693 247 1 . 1 1 48 48 CYS N N 48 123.279 123.279 128.056 -4.777 25693 248 1 . 1 1 48 48 CYS HA H 48 6.040 6.040 5.056 0.984 25693 249 1 . 1 1 48 48 CYS C C 48 172.554 172.554 173.610 -1.056 25693 250 1 . 1 1 48 48 CYS CA C 48 55.181 55.181 57.999 -2.818 25693 251 1 . 1 1 48 48 CYS CB C 48 48.662 48.662 28.250 20.412 25693 252 1 . 1 1 48 48 CYS H H 48 9.201 9.201 9.122 0.079 25693 253 1 . 1 1 49 49 CYS N N 49 119.872 119.872 128.216 -8.344 25693 254 1 . 1 1 49 49 CYS HA H 49 5.679 5.679 5.199 0.480 25693 255 1 . 1 1 49 49 CYS CA C 49 56.214 56.214 58.416 -2.202 25693 256 1 . 1 1 49 49 CYS CB C 49 48.015 48.015 29.471 18.544 25693 257 1 . 1 1 49 49 CYS H H 49 9.117 9.117 8.902 0.215 25693 258 1 . 1 1 50 50 ASP N N 50 123.093 123.093 124.148 -1.055 25693 259 1 . 1 1 50 50 ASP HA H 50 5.162 5.162 5.210 -0.048 25693 260 1 . 1 1 50 50 ASP CA C 50 52.869 52.869 51.562 1.307 25693 261 1 . 1 1 50 50 ASP CB C 50 42.838 42.838 44.101 -1.263 25693 262 1 . 1 1 50 50 ASP H H 50 8.837 8.837 9.219 -0.382 25693 263 1 . 1 1 51 51 PRO HA H 51 4.725 4.725 4.595 0.130 25693 264 1 . 1 1 51 51 PRO C C 51 178.489 178.489 176.521 1.968 25693 265 1 . 1 1 51 51 PRO CA C 51 63.575 63.575 63.336 0.239 25693 266 1 . 1 1 51 51 PRO CB C 51 32.550 32.550 31.418 1.132 25693 267 1 . 1 1 52 52 GLN N N 52 120.594 120.594 114.089 6.505 25693 268 1 . 1 1 52 52 GLN HA H 52 4.368 4.368 4.060 0.308 25693 269 1 . 1 1 52 52 GLN C C 52 175.779 175.779 175.627 0.152 25693 270 1 . 1 1 52 52 GLN CA C 52 56.155 56.155 57.155 -1.000 25693 271 1 . 1 1 52 52 GLN CB C 52 30.069 30.069 26.300 3.769 25693 272 1 . 1 1 52 52 GLN H H 52 8.504 8.504 8.333 0.171 25693 273 1 . 1 1 53 53 ALA N N 53 124.936 124.936 121.841 3.095 25693 274 1 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.271 0.071 25693 275 1 . 1 1 53 53 ALA CA C 53 53.214 53.214 53.881 -0.667 25693 276 1 . 1 1 53 53 ALA CB C 53 19.978 19.978 19.208 0.770 25693 277 1 . 1 1 53 53 ALA H H 53 8.290 8.290 8.637 -0.347 25693 278 1 . 1 1 54 54 THR N N 54 112.200 112.200 111.876 0.324 25693 279 1 . 1 1 54 54 THR HA H 54 4.318 4.318 4.312 0.006 25693 280 1 . 1 1 54 54 THR CA C 54 62.594 62.594 62.567 0.027 25693 281 1 . 1 1 54 54 THR CB C 54 70.341 70.341 68.848 1.493 25693 282 1 . 1 1 54 54 THR H H 54 8.011 8.011 8.397 -0.386 25693 283 1 . 1 1 55 55 TRP N N 55 122.937 122.937 122.758 0.179 25693 284 1 . 1 1 55 55 TRP HA H 55 4.803 4.803 4.709 0.094 25693 285 1 . 1 1 55 55 TRP C C 55 176.602 176.602 175.827 0.775 25693 286 1 . 1 1 55 55 TRP CA C 55 57.651 57.651 57.169 0.482 25693 287 1 . 1 1 55 55 TRP CB C 55 30.105 30.105 28.995 1.110 25693 288 1 . 1 1 55 55 TRP H H 55 7.979 7.979 7.958 0.021 25693 289 1 . 1 1 56 56 VAL N N 56 121.829 121.829 119.042 2.787 25693 290 1 . 1 1 56 56 VAL HA H 56 4.031 4.031 3.990 0.041 25693 291 1 . 1 1 56 56 VAL C C 56 175.779 175.779 175.851 -0.072 25693 292 1 . 1 1 56 56 VAL CA C 56 63.060 63.060 62.279 0.781 25693 293 1 . 1 1 56 56 VAL CB C 56 33.012 33.012 32.127 0.885 25693 294 1 . 1 1 56 56 VAL H H 56 7.817 7.817 7.845 -0.028 25693 295 1 . 1 1 57 57 ARG N N 57 123.817 123.817 124.001 -0.184 25693 296 1 . 1 1 57 57 ARG HA H 57 4.305 4.305 4.397 -0.092 25693 297 1 . 1 1 57 57 ARG C C 57 176.484 176.484 175.348 1.136 25693 298 1 . 1 1 57 57 ARG CA C 57 56.741 56.741 56.198 0.543 25693 299 1 . 1 1 57 57 ARG CB C 57 31.502 31.502 30.619 0.883 25693 300 1 . 1 1 57 57 ARG H H 57 8.087 8.087 8.400 -0.313 25693 301 1 . 1 1 58 58 ASP N N 58 121.452 121.452 121.603 -0.151 25693 302 1 . 1 1 58 58 ASP HA H 58 4.717 4.717 4.687 0.030 25693 303 1 . 1 1 58 58 ASP C C 58 177.508 177.508 175.962 1.546 25693 304 1 . 1 1 58 58 ASP CA C 58 54.966 54.966 54.327 0.639 25693 305 1 . 1 1 58 58 ASP CB C 58 42.021 42.021 42.018 0.003 25693 306 1 . 1 1 58 58 ASP H H 58 8.240 8.240 8.301 -0.061 25693 307 1 . 1 1 59 59 VAL N N 59 120.104 120.104 121.069 -0.965 25693 308 1 . 1 1 59 59 VAL HA H 59 4.167 4.167 4.161 0.006 25693 309 1 . 1 1 59 59 VAL C C 59 177.636 177.636 175.308 2.328 25693 310 1 . 1 1 59 59 VAL CA C 59 63.146 63.146 62.424 0.722 25693 311 1 . 1 1 59 59 VAL CB C 59 33.377 33.377 32.138 1.239 25693 312 1 . 1 1 59 59 VAL H H 59 8.059 8.059 8.245 -0.186 25693 313 1 . 1 1 60 60 VAL N N 60 123.394 123.394 120.655 2.739 25693 314 1 . 1 1 60 60 VAL HA H 60 4.143 4.143 4.009 0.134 25693 315 1 . 1 1 60 60 VAL C C 60 177.956 177.956 175.126 2.830 25693 316 1 . 1 1 60 60 VAL CA C 60 63.452 63.452 62.720 0.732 25693 317 1 . 1 1 60 60 VAL CB C 60 33.012 33.012 31.371 1.641 25693 318 1 . 1 1 60 60 VAL H H 60 8.115 8.115 7.948 0.167 25693 319 1 . 1 1 61 61 ARG N N 61 124.402 124.402 125.889 -1.487 25693 320 1 . 1 1 61 61 ARG HA H 61 4.633 4.633 4.521 0.112 25693 321 1 . 1 1 61 61 ARG C C 61 177.786 177.786 175.556 2.230 25693 322 1 . 1 1 61 61 ARG CA C 61 56.713 56.713 55.522 1.191 25693 323 1 . 1 1 61 61 ARG CB C 61 31.306 31.306 30.835 0.471 25693 324 1 . 1 1 61 61 ARG H H 61 8.350 8.350 8.310 0.041 25693 325 1 . 1 1 62 62 SER N N 62 121.629 121.629 118.518 3.111 25693 326 1 . 1 1 62 62 SER HA H 62 4.579 4.579 4.539 0.040 25693 327 1 . 1 1 62 62 SER C C 62 177.687 177.687 173.930 3.757 25693 328 1 . 1 1 62 62 SER CA C 62 56.270 56.270 58.205 -1.935 25693 329 1 . 1 1 62 62 SER CB C 62 70.537 70.537 63.674 6.863 25693 330 1 . 1 1 62 62 SER H H 62 8.253 8.253 8.480 -0.227 25693 331 1 . 1 1 63 63 MET N N 63 121.452 121.452 123.969 -2.517 25693 332 1 . 1 1 63 63 MET HA H 63 4.706 4.706 4.577 0.129 25693 333 1 . 1 1 63 63 MET C C 63 177.252 177.252 174.734 2.518 25693 334 1 . 1 1 63 63 MET CA C 63 54.861 54.861 55.318 -0.457 25693 335 1 . 1 1 63 63 MET CB C 63 31.514 31.514 33.326 -1.812 25693 336 1 . 1 1 63 63 MET H H 63 8.245 8.245 8.257 -0.013 25693 337 1 . 1 1 64 64 ASP N N 64 120.811 120.811 123.902 -3.091 25693 338 1 . 1 1 64 64 ASP C C 64 177.786 177.786 175.488 2.298 25693 339 1 . 1 1 64 64 ASP CA C 64 56.468 56.468 53.905 2.563 25693 340 1 . 1 1 64 64 ASP CB C 64 33.377 33.377 42.157 -8.780 25693 341 1 . 1 1 64 64 ASP H H 64 8.251 8.251 8.408 -0.157 25693 342 1 . 1 1 65 65 ARG N N 65 120.563 120.563 122.325 -1.762 25693 343 1 . 1 1 65 65 ARG HA H 65 4.469 4.469 4.430 0.039 25693 344 1 . 1 1 65 65 ARG C C 65 179.397 179.397 175.756 3.641 25693 345 1 . 1 1 65 65 ARG CA C 65 57.080 57.080 56.202 0.878 25693 346 1 . 1 1 65 65 ARG CB C 65 33.510 33.510 30.776 2.734 25693 347 1 . 1 1 65 65 ARG H H 65 8.145 8.145 8.448 -0.303 25693 stop_ save_