data_17716 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17716 _Entry.PDB_ID 2LEL 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 17716 _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 ASP N N 2 117.290 117.290 126.122 -8.832 17716 2 1 1 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.055 0.983 17716 3 1 1 . 1 1 2 2 ASP H H 2 8.582 8.582 8.337 0.245 17716 4 1 1 . 1 1 3 3 MET N N 3 117.021 117.021 120.194 -3.173 17716 5 1 1 . 1 1 3 3 MET CA C 3 58.045 58.045 57.787 0.258 17716 6 1 1 . 1 1 3 3 MET H H 3 8.539 8.539 8.060 0.479 17716 7 1 1 . 1 1 4 4 SER N N 4 121.274 121.274 114.680 6.594 17716 8 1 1 . 1 1 4 4 SER C C 4 176.458 176.458 174.383 2.075 17716 9 1 1 . 1 1 4 4 SER CA C 4 59.826 59.826 59.790 0.036 17716 10 1 1 . 1 1 4 4 SER H H 4 8.699 8.699 8.166 0.533 17716 11 1 1 . 1 1 5 5 ASN N N 5 115.377 115.377 117.015 -1.638 17716 12 1 1 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.678 -0.464 17716 13 1 1 . 1 1 5 5 ASN H H 5 8.125 8.125 8.140 -0.015 17716 14 1 1 . 1 1 6 6 VAL N N 6 121.274 121.274 120.092 1.182 17716 15 1 1 . 1 1 6 6 VAL C C 6 175.755 175.755 174.590 1.165 17716 16 1 1 . 1 1 6 6 VAL CA C 6 63.534 63.534 63.611 -0.077 17716 17 1 1 . 1 1 6 6 VAL H H 6 7.572 7.572 7.473 0.099 17716 18 1 1 . 1 1 7 7 VAL N N 7 125.259 125.259 120.395 4.864 17716 19 1 1 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.413 -0.117 17716 20 1 1 . 1 1 7 7 VAL C C 7 175.602 175.602 174.104 1.498 17716 21 1 1 . 1 1 7 7 VAL CA C 7 63.725 63.725 60.340 3.385 17716 22 1 1 . 1 1 7 7 VAL CB C 7 32.784 32.784 34.056 -1.272 17716 23 1 1 . 1 1 7 7 VAL H H 7 8.572 8.572 7.755 0.817 17716 24 1 1 . 1 1 8 8 LYS N N 8 121.875 121.875 123.640 -1.765 17716 25 1 1 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.612 -0.274 17716 26 1 1 . 1 1 8 8 LYS C C 8 172.743 172.743 175.055 -2.312 17716 27 1 1 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.629 -0.122 17716 28 1 1 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.692 2.484 17716 29 1 1 . 1 1 8 8 LYS H H 8 7.437 7.437 8.707 -1.270 17716 30 1 1 . 1 1 9 9 THR N N 9 121.187 121.187 115.374 5.813 17716 31 1 1 . 1 1 9 9 THR HA H 9 5.106 5.106 5.054 0.052 17716 32 1 1 . 1 1 9 9 THR C C 9 173.660 173.660 173.304 0.356 17716 33 1 1 . 1 1 9 9 THR CA C 9 61.928 61.928 60.662 1.266 17716 34 1 1 . 1 1 9 9 THR CB C 9 71.703 71.703 71.722 -0.019 17716 35 1 1 . 1 1 9 9 THR H H 9 8.041 8.041 7.886 0.155 17716 36 1 1 . 1 1 10 10 TYR N N 10 123.795 123.795 120.893 2.902 17716 37 1 1 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.684 0.102 17716 38 1 1 . 1 1 10 10 TYR C C 10 174.684 174.684 175.099 -0.415 17716 39 1 1 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.336 0.012 17716 40 1 1 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.906 0.368 17716 41 1 1 . 1 1 10 10 TYR H H 10 9.078 9.078 8.006 1.072 17716 42 1 1 . 1 1 11 11 ASP N N 11 123.002 123.002 125.659 -2.657 17716 43 1 1 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.447 0.308 17716 44 1 1 . 1 1 11 11 ASP C C 11 176.137 176.137 175.417 0.720 17716 45 1 1 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.666 -1.000 17716 46 1 1 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.480 1.214 17716 47 1 1 . 1 1 11 11 ASP H H 11 8.814 8.814 8.633 0.181 17716 48 1 1 . 1 1 12 12 LEU N N 12 121.896 121.896 124.389 -2.493 17716 49 1 1 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.427 0.380 17716 50 1 1 . 1 1 12 12 LEU C C 12 179.072 179.072 178.370 0.702 17716 51 1 1 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.444 -1.504 17716 52 1 1 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.647 -1.663 17716 53 1 1 . 1 1 12 12 LEU H H 12 8.606 8.606 8.027 0.579 17716 54 1 1 . 1 1 13 13 GLN N N 13 119.615 119.615 124.613 -4.998 17716 55 1 1 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.098 -0.121 17716 56 1 1 . 1 1 13 13 GLN C C 13 175.923 175.923 176.555 -0.632 17716 57 1 1 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.428 0.059 17716 58 1 1 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.815 -0.545 17716 59 1 1 . 1 1 13 13 GLN H H 13 8.360 8.360 8.964 -0.604 17716 60 1 1 . 1 1 14 14 ASP N N 14 115.289 115.289 117.460 -2.171 17716 61 1 1 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.733 -0.246 17716 62 1 1 . 1 1 14 14 ASP C C 14 177.161 177.161 176.815 0.346 17716 63 1 1 . 1 1 14 14 ASP CA C 14 53.405 53.405 54.113 -0.708 17716 64 1 1 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.775 -0.896 17716 65 1 1 . 1 1 14 14 ASP H H 14 7.843 7.843 8.195 -0.352 17716 66 1 1 . 1 1 15 15 GLY N N 15 107.917 107.917 107.480 0.437 17716 67 1 1 . 1 1 15 15 GLY C C 15 174.333 174.333 173.837 0.496 17716 68 1 1 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.630 -0.442 17716 69 1 1 . 1 1 15 15 GLY H H 15 7.799 7.799 8.076 -0.277 17716 70 1 1 . 1 1 16 16 SER N N 16 116.054 116.054 115.349 0.705 17716 71 1 1 . 1 1 16 16 SER HA H 16 4.405 4.405 4.593 -0.188 17716 72 1 1 . 1 1 16 16 SER C C 16 172.146 172.146 173.195 -1.049 17716 73 1 1 . 1 1 16 16 SER CA C 16 58.450 58.450 58.297 0.153 17716 74 1 1 . 1 1 16 16 SER CB C 16 64.517 64.517 64.471 0.046 17716 75 1 1 . 1 1 16 16 SER H H 16 7.927 7.927 7.753 0.174 17716 76 1 1 . 1 1 17 17 LYS N N 17 117.434 117.434 119.328 -1.894 17716 77 1 1 . 1 1 17 17 LYS HA H 17 5.183 5.183 4.833 0.350 17716 78 1 1 . 1 1 17 17 LYS C C 17 175.724 175.724 175.349 0.375 17716 79 1 1 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.608 -0.559 17716 80 1 1 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.423 1.245 17716 81 1 1 . 1 1 17 17 LYS H H 17 9.127 9.127 7.730 1.397 17716 82 1 1 . 1 1 18 18 VAL N N 18 117.543 117.543 122.459 -4.916 17716 83 1 1 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.844 0.171 17716 84 1 1 . 1 1 18 18 VAL C C 18 183.445 183.445 175.425 8.020 17716 85 1 1 . 1 1 18 18 VAL CA C 18 58.679 58.679 60.918 -2.239 17716 86 1 1 . 1 1 18 18 VAL CB C 18 34.509 34.509 32.777 1.732 17716 87 1 1 . 1 1 18 18 VAL H H 18 8.580 8.580 8.233 0.347 17716 88 1 1 . 1 1 19 19 HIS N N 19 128.371 128.371 122.094 6.277 17716 89 1 1 . 1 1 19 19 HIS HA H 19 5.006 5.006 4.984 0.022 17716 90 1 1 . 1 1 19 19 HIS C C 19 174.302 174.302 173.222 1.080 17716 91 1 1 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.505 0.085 17716 92 1 1 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.474 0.613 17716 93 1 1 . 1 1 19 19 HIS H H 19 8.901 8.901 8.932 -0.031 17716 94 1 1 . 1 1 20 20 VAL N N 20 123.150 123.150 123.125 0.025 17716 95 1 1 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.409 0.037 17716 96 1 1 . 1 1 20 20 VAL C C 20 176.045 176.045 173.668 2.377 17716 97 1 1 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.143 1.365 17716 98 1 1 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.133 -0.519 17716 99 1 1 . 1 1 20 20 VAL H H 20 9.351 9.351 7.780 1.571 17716 100 1 1 . 1 1 21 21 PHE N N 21 124.942 124.942 124.864 0.078 17716 101 1 1 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.494 0.392 17716 102 1 1 . 1 1 21 21 PHE C C 21 178.613 178.613 177.858 0.755 17716 103 1 1 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.863 0.855 17716 104 1 1 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.643 1.026 17716 105 1 1 . 1 1 21 21 PHE H H 21 9.324 9.324 8.610 0.714 17716 106 1 1 . 1 1 22 22 LYS N N 22 122.104 122.104 120.391 1.713 17716 107 1 1 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.213 -0.274 17716 108 1 1 . 1 1 22 22 LYS C C 22 175.969 175.969 176.565 -0.596 17716 109 1 1 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.164 1.700 17716 110 1 1 . 1 1 22 22 LYS CB C 22 32.614 32.614 31.531 1.083 17716 111 1 1 . 1 1 22 22 LYS H H 22 8.411 8.411 8.818 -0.407 17716 112 1 1 . 1 1 23 23 ASP N N 23 114.797 114.797 117.011 -2.214 17716 113 1 1 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.615 -0.127 17716 114 1 1 . 1 1 23 23 ASP C C 23 176.794 176.794 176.686 0.108 17716 115 1 1 . 1 1 23 23 ASP CA C 23 53.405 53.405 54.182 -0.777 17716 116 1 1 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.026 -0.384 17716 117 1 1 . 1 1 23 23 ASP H H 23 8.006 8.006 8.304 -0.298 17716 118 1 1 . 1 1 24 24 GLY N N 24 109.105 109.105 107.117 1.988 17716 119 1 1 . 1 1 24 24 GLY C C 24 173.844 173.844 174.246 -0.402 17716 120 1 1 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.586 -0.590 17716 121 1 1 . 1 1 24 24 GLY H H 24 8.346 8.346 7.493 0.853 17716 122 1 1 . 1 1 25 25 LYS N N 25 117.557 117.557 120.753 -3.196 17716 123 1 1 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.293 0.061 17716 124 1 1 . 1 1 25 25 LYS C C 25 175.862 175.862 176.314 -0.452 17716 125 1 1 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.595 -0.417 17716 126 1 1 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.060 0.580 17716 127 1 1 . 1 1 25 25 LYS H H 25 7.584 7.584 7.953 -0.369 17716 128 1 1 . 1 1 26 26 MET N N 26 116.628 116.628 119.930 -3.302 17716 129 1 1 . 1 1 26 26 MET HA H 26 5.995 5.995 4.455 1.540 17716 130 1 1 . 1 1 26 26 MET C C 26 175.724 175.724 176.345 -0.621 17716 131 1 1 . 1 1 26 26 MET CA C 26 55.469 55.469 56.474 -1.005 17716 132 1 1 . 1 1 26 26 MET CB C 26 36.562 36.562 33.939 2.623 17716 133 1 1 . 1 1 26 26 MET H H 26 8.599 8.599 8.560 0.039 17716 134 1 1 . 1 1 27 27 GLY N N 27 104.570 104.570 105.797 -1.227 17716 135 1 1 . 1 1 27 27 GLY C C 27 183.552 183.552 172.806 10.746 17716 136 1 1 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.983 -0.522 17716 137 1 1 . 1 1 27 27 GLY H H 27 9.063 9.063 8.289 0.774 17716 138 1 1 . 1 1 28 28 MET N N 28 119.860 119.860 125.098 -5.238 17716 139 1 1 . 1 1 28 28 MET HA H 28 5.302 5.302 4.570 0.732 17716 140 1 1 . 1 1 28 28 MET C C 28 173.431 173.431 174.307 -0.876 17716 141 1 1 . 1 1 28 28 MET CA C 28 52.106 52.106 54.340 -2.234 17716 142 1 1 . 1 1 28 28 MET CB C 28 31.508 31.508 32.432 -0.924 17716 143 1 1 . 1 1 28 28 MET H H 28 8.751 8.751 9.005 -0.254 17716 144 1 1 . 1 1 29 29 GLU N N 29 123.440 123.440 126.045 -2.605 17716 145 1 1 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.568 0.439 17716 146 1 1 . 1 1 29 29 GLU C C 29 175.479 175.479 175.314 0.165 17716 147 1 1 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.302 -0.203 17716 148 1 1 . 1 1 29 29 GLU CB C 29 34.430 34.430 31.447 2.983 17716 149 1 1 . 1 1 29 29 GLU H H 29 8.904 8.904 8.064 0.840 17716 150 1 1 . 1 1 30 30 ASN N N 30 123.219 123.219 126.216 -2.997 17716 151 1 1 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.655 -0.032 17716 152 1 1 . 1 1 30 30 ASN C C 30 176.886 176.886 176.532 0.354 17716 153 1 1 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.576 -1.158 17716 154 1 1 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.461 -0.293 17716 155 1 1 . 1 1 30 30 ASN H H 30 9.339 9.339 8.107 1.232 17716 156 1 1 . 1 1 31 31 LYS N N 31 116.491 116.491 121.515 -5.024 17716 157 1 1 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.133 -0.191 17716 158 1 1 . 1 1 31 31 LYS C C 31 175.663 175.663 176.059 -0.396 17716 159 1 1 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.109 -0.003 17716 160 1 1 . 1 1 31 31 LYS CB C 31 31.429 31.429 30.891 0.538 17716 161 1 1 . 1 1 31 31 LYS H H 31 8.512 8.512 8.632 -0.120 17716 162 1 1 . 1 1 32 32 PHE N N 32 117.885 117.885 119.883 -1.998 17716 163 1 1 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.435 0.320 17716 164 1 1 . 1 1 32 32 PHE C C 32 176.060 176.060 175.612 0.448 17716 165 1 1 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.907 -1.330 17716 166 1 1 . 1 1 32 32 PHE CB C 32 38.852 38.852 39.381 -0.529 17716 167 1 1 . 1 1 32 32 PHE H H 32 7.507 7.507 7.839 -0.332 17716 168 1 1 . 1 1 33 33 GLY N N 33 108.245 108.245 107.485 0.760 17716 169 1 1 . 1 1 33 33 GLY C C 33 173.828 173.828 173.898 -0.070 17716 170 1 1 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.324 0.322 17716 171 1 1 . 1 1 33 33 GLY H H 33 8.062 8.062 7.888 0.174 17716 172 1 1 . 1 1 34 34 LYS N N 34 117.724 117.724 120.901 -3.177 17716 173 1 1 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.719 -0.077 17716 174 1 1 . 1 1 34 34 LYS C C 34 175.862 175.862 175.590 0.272 17716 175 1 1 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.643 -1.582 17716 176 1 1 . 1 1 34 34 LYS CB C 34 34.193 34.193 35.780 -1.587 17716 177 1 1 . 1 1 34 34 LYS H H 34 7.561 7.561 8.857 -1.296 17716 178 1 1 . 1 1 35 35 SER N N 35 117.079 117.079 120.845 -3.766 17716 179 1 1 . 1 1 35 35 SER HA H 35 5.001 5.001 4.592 0.409 17716 180 1 1 . 1 1 35 35 SER C C 35 174.210 174.210 175.028 -0.818 17716 181 1 1 . 1 1 35 35 SER CA C 35 57.953 57.953 58.690 -0.737 17716 182 1 1 . 1 1 35 35 SER CB C 35 64.043 64.043 63.582 0.461 17716 183 1 1 . 1 1 35 35 SER H H 35 8.588 8.588 8.716 -0.128 17716 184 1 1 . 1 1 36 36 MET N N 36 117.966 117.966 125.027 -7.061 17716 185 1 1 . 1 1 36 36 MET HA H 36 4.765 4.765 4.423 0.342 17716 186 1 1 . 1 1 36 36 MET C C 36 173.461 173.461 175.490 -2.029 17716 187 1 1 . 1 1 36 36 MET CA C 36 54.055 54.055 54.600 -0.545 17716 188 1 1 . 1 1 36 36 MET CB C 36 36.009 36.009 33.659 2.350 17716 189 1 1 . 1 1 36 36 MET H H 36 8.044 8.044 8.178 -0.134 17716 190 1 1 . 1 1 37 37 ASN N N 37 122.101 122.101 124.614 -2.513 17716 191 1 1 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.519 0.176 17716 192 1 1 . 1 1 37 37 ASN C C 37 175.770 175.770 174.699 1.071 17716 193 1 1 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.535 0.482 17716 194 1 1 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.804 2.180 17716 195 1 1 . 1 1 37 37 ASN H H 37 8.753 8.753 8.703 0.050 17716 196 1 1 . 1 1 38 38 MET N N 38 122.627 122.627 127.357 -4.730 17716 197 1 1 . 1 1 38 38 MET HA H 38 4.623 4.623 4.940 -0.317 17716 198 1 1 . 1 1 38 38 MET CA C 38 54.093 54.093 52.213 1.880 17716 199 1 1 . 1 1 38 38 MET CB C 38 38.708 38.708 35.111 3.598 17716 200 1 1 . 1 1 38 38 MET H H 38 8.133 8.133 8.049 0.084 17716 201 1 1 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.673 -0.393 17716 202 1 1 . 1 1 39 39 PRO C C 39 175.831 175.831 176.507 -0.676 17716 203 1 1 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.234 0.420 17716 204 1 1 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.701 -0.245 17716 205 1 1 . 1 1 40 40 GLU N N 40 120.437 120.437 121.332 -0.895 17716 206 1 1 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.286 -0.590 17716 207 1 1 . 1 1 40 40 GLU C C 40 177.757 177.757 177.059 0.698 17716 208 1 1 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.021 0.779 17716 209 1 1 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.390 0.618 17716 210 1 1 . 1 1 40 40 GLU H H 40 8.322 8.322 8.665 -0.344 17716 211 1 1 . 1 1 41 41 GLY N N 41 112.092 112.092 115.208 -3.116 17716 212 1 1 . 1 1 41 41 GLY C C 41 173.935 173.935 174.645 -0.710 17716 213 1 1 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.953 -0.148 17716 214 1 1 . 1 1 41 41 GLY H H 41 9.188 9.188 8.577 0.611 17716 215 1 1 . 1 1 42 42 LYS N N 42 120.325 120.325 123.432 -3.107 17716 216 1 1 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.350 -0.102 17716 217 1 1 . 1 1 42 42 LYS C C 42 175.755 175.755 176.302 -0.547 17716 218 1 1 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.470 0.228 17716 219 1 1 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.319 1.532 17716 220 1 1 . 1 1 42 42 LYS H H 42 6.967 6.967 7.675 -0.708 17716 221 1 1 . 1 1 43 43 VAL N N 43 124.724 124.724 122.618 2.106 17716 222 1 1 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.721 0.256 17716 223 1 1 . 1 1 43 43 VAL C C 43 175.770 175.770 175.929 -0.159 17716 224 1 1 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.420 -0.810 17716 225 1 1 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.296 0.686 17716 226 1 1 . 1 1 43 43 VAL H H 43 8.572 8.572 8.286 0.286 17716 227 1 1 . 1 1 44 44 MET N N 44 127.278 127.278 127.171 0.107 17716 228 1 1 . 1 1 44 44 MET HA H 44 4.545 4.545 4.806 -0.261 17716 229 1 1 . 1 1 44 44 MET C C 44 173.522 173.522 175.167 -1.645 17716 230 1 1 . 1 1 44 44 MET CA C 44 53.558 53.558 54.589 -1.031 17716 231 1 1 . 1 1 44 44 MET CB C 44 34.351 34.351 34.808 -0.457 17716 232 1 1 . 1 1 44 44 MET H H 44 8.963 8.963 8.572 0.391 17716 233 1 1 . 1 1 45 45 GLU N N 45 122.374 122.374 123.692 -1.318 17716 234 1 1 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.306 -0.197 17716 235 1 1 . 1 1 45 45 GLU C C 45 176.320 176.320 177.093 -0.773 17716 236 1 1 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.855 0.888 17716 237 1 1 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.235 -0.253 17716 238 1 1 . 1 1 45 45 GLU H H 45 8.668 8.668 8.794 -0.126 17716 239 1 1 . 1 1 46 46 THR N N 46 116.696 116.696 118.916 -2.220 17716 240 1 1 . 1 1 46 46 THR HA H 46 4.757 4.757 4.724 0.033 17716 241 1 1 . 1 1 46 46 THR C C 46 176.657 176.657 175.528 1.129 17716 242 1 1 . 1 1 46 46 THR CA C 46 61.317 61.317 61.662 -0.345 17716 243 1 1 . 1 1 46 46 THR CB C 46 70.203 70.203 70.626 -0.423 17716 244 1 1 . 1 1 46 46 THR H H 46 9.083 9.083 8.576 0.507 17716 245 1 1 . 1 1 47 47 ARG N N 47 119.546 119.546 120.496 -0.950 17716 246 1 1 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.110 -0.094 17716 247 1 1 . 1 1 47 47 ARG C C 47 176.519 176.519 176.747 -0.228 17716 248 1 1 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.001 0.290 17716 249 1 1 . 1 1 47 47 ARG CB C 47 29.692 29.692 30.308 -0.616 17716 250 1 1 . 1 1 47 47 ARG H H 47 8.580 8.580 8.358 0.222 17716 251 1 1 . 1 1 48 48 ASP N N 48 114.579 114.579 115.654 -1.075 17716 252 1 1 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.552 0.157 17716 253 1 1 . 1 1 48 48 ASP C C 48 176.519 176.519 176.550 -0.031 17716 254 1 1 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.013 -0.570 17716 255 1 1 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.165 0.267 17716 256 1 1 . 1 1 48 48 ASP H H 48 7.884 7.884 8.041 -0.157 17716 257 1 1 . 1 1 49 49 GLY N N 49 107.958 107.958 108.263 -0.305 17716 258 1 1 . 1 1 49 49 GLY C C 49 174.547 174.547 174.064 0.483 17716 259 1 1 . 1 1 49 49 GLY CA C 49 45.264 45.264 44.995 0.269 17716 260 1 1 . 1 1 49 49 GLY H H 49 7.838 7.838 7.618 0.220 17716 261 1 1 . 1 1 50 50 THR N N 50 118.527 118.527 116.661 1.866 17716 262 1 1 . 1 1 50 50 THR HA H 50 4.100 4.100 4.447 -0.347 17716 263 1 1 . 1 1 50 50 THR C C 50 173.339 173.339 173.354 -0.015 17716 264 1 1 . 1 1 50 50 THR CA C 50 63.381 63.381 61.552 1.829 17716 265 1 1 . 1 1 50 50 THR CB C 50 68.781 68.781 70.908 -2.127 17716 266 1 1 . 1 1 50 50 THR H H 50 7.783 7.783 8.281 -0.498 17716 267 1 1 . 1 1 51 51 LYS N N 51 125.284 125.284 127.177 -1.893 17716 268 1 1 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.575 0.496 17716 269 1 1 . 1 1 51 51 LYS C C 51 176.137 176.137 175.925 0.212 17716 270 1 1 . 1 1 51 51 LYS CA C 51 55.087 55.087 55.673 -0.586 17716 271 1 1 . 1 1 51 51 LYS CB C 51 33.324 33.324 33.273 0.051 17716 272 1 1 . 1 1 51 51 LYS H H 51 8.569 8.569 8.533 0.036 17716 273 1 1 . 1 1 52 52 ILE N N 52 123.781 123.781 123.786 -0.005 17716 274 1 1 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.455 -0.283 17716 275 1 1 . 1 1 52 52 ILE C C 52 174.730 174.730 174.643 0.087 17716 276 1 1 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.916 -0.357 17716 277 1 1 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.172 1.681 17716 278 1 1 . 1 1 52 52 ILE H H 52 8.887 8.887 8.504 0.383 17716 279 1 1 . 1 1 53 53 ILE N N 53 128.421 128.421 126.048 2.373 17716 280 1 1 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.240 -0.159 17716 281 1 1 . 1 1 53 53 ILE C C 53 176.412 176.412 176.211 0.201 17716 282 1 1 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.251 0.225 17716 283 1 1 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.416 -1.986 17716 284 1 1 . 1 1 53 53 ILE H H 53 8.567 8.567 8.600 -0.033 17716 285 1 1 . 1 1 54 54 MET N N 54 126.582 126.582 127.344 -0.762 17716 286 1 1 . 1 1 54 54 MET HA H 54 4.282 4.282 4.315 -0.033 17716 287 1 1 . 1 1 54 54 MET C C 54 174.547 174.547 175.932 -1.385 17716 288 1 1 . 1 1 54 54 MET CA C 54 56.424 56.424 55.071 1.353 17716 289 1 1 . 1 1 54 54 MET CB C 54 31.587 31.587 30.319 1.268 17716 290 1 1 . 1 1 54 54 MET H H 54 8.886 8.886 8.756 0.130 17716 291 1 1 . 1 1 55 55 LYS N N 55 106.838 106.838 126.097 -19.259 17716 292 1 1 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.154 0.550 17716 293 1 1 . 1 1 55 55 LYS C C 55 175.051 175.051 178.004 -2.953 17716 294 1 1 . 1 1 55 55 LYS CA C 55 55.431 55.431 59.246 -3.815 17716 295 1 1 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.476 1.717 17716 296 1 1 . 1 1 55 55 LYS H H 55 8.559 8.559 8.572 -0.013 17716 297 1 1 . 1 1 56 56 GLY N N 56 113.486 113.486 107.239 6.247 17716 298 1 1 . 1 1 56 56 GLY C C 56 181.029 181.029 174.303 6.726 17716 299 1 1 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.764 -0.303 17716 300 1 1 . 1 1 56 56 GLY H H 56 9.317 9.317 8.666 0.651 17716 301 1 1 . 1 1 57 57 ASN N N 57 112.557 112.557 118.756 -6.199 17716 302 1 1 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.508 0.222 17716 303 1 1 . 1 1 57 57 ASN C C 57 177.023 177.023 175.677 1.346 17716 304 1 1 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.518 -0.540 17716 305 1 1 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.956 -1.683 17716 306 1 1 . 1 1 57 57 ASN H H 57 8.732 8.732 8.482 0.250 17716 307 1 1 . 1 1 58 58 GLU N N 58 123.440 123.440 120.116 3.324 17716 308 1 1 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.556 -0.182 17716 309 1 1 . 1 1 58 58 GLU C C 58 176.244 176.244 177.269 -1.025 17716 310 1 1 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.660 -0.917 17716 311 1 1 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.584 0.213 17716 312 1 1 . 1 1 58 58 GLU H H 58 9.124 9.124 8.364 0.760 17716 313 1 1 . 1 1 59 59 ILE N N 59 120.912 120.912 118.579 2.333 17716 314 1 1 . 1 1 59 59 ILE HA H 59 3.627 3.627 4.026 -0.399 17716 315 1 1 . 1 1 59 59 ILE C C 59 177.360 177.360 176.770 0.590 17716 316 1 1 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.489 1.343 17716 317 1 1 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.627 0.200 17716 318 1 1 . 1 1 59 59 ILE H H 59 7.703 7.703 7.649 0.054 17716 319 1 1 . 1 1 60 60 PHE N N 60 119.669 119.669 119.075 0.594 17716 320 1 1 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.204 0.279 17716 321 1 1 . 1 1 60 60 PHE C C 60 178.889 178.889 177.338 1.551 17716 322 1 1 . 1 1 60 60 PHE CA C 60 60.514 60.514 61.340 -0.826 17716 323 1 1 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.179 -0.116 17716 324 1 1 . 1 1 60 60 PHE H H 60 7.934 7.934 8.046 -0.112 17716 325 1 1 . 1 1 61 61 ARG N N 61 119.587 119.587 117.530 2.057 17716 326 1 1 . 1 1 61 61 ARG HA H 61 4.037 4.037 4.026 0.011 17716 327 1 1 . 1 1 61 61 ARG C C 61 180.051 180.051 177.904 2.147 17716 328 1 1 . 1 1 61 61 ARG CA C 61 58.832 58.832 57.387 1.445 17716 329 1 1 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.103 2.494 17716 330 1 1 . 1 1 61 61 ARG H H 61 8.133 8.133 7.400 0.733 17716 331 1 1 . 1 1 62 62 LEU N N 62 121.008 121.008 119.775 1.233 17716 332 1 1 . 1 1 62 62 LEU CA C 62 57.227 57.227 56.832 0.395 17716 333 1 1 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.363 -1.127 17716 334 1 1 . 1 1 62 62 LEU H H 62 8.517 8.517 7.874 0.643 17716 335 1 1 . 1 1 70 70 HIS C C 70 177.253 177.253 176.275 0.978 17716 336 1 1 . 1 1 71 71 SER N N 71 121.301 121.301 117.884 3.417 17716 337 1 1 . 1 1 71 71 SER C C 71 173.461 173.461 174.358 -0.897 17716 338 1 1 . 1 1 71 71 SER CA C 71 58.259 58.259 58.458 -0.199 17716 339 1 1 . 1 1 71 71 SER H H 71 8.652 8.652 8.355 0.297 17716 340 1 1 . 1 1 72 72 GLU N N 72 122.601 122.601 126.603 -4.002 17716 341 1 1 . 1 1 72 72 GLU C C 72 176.916 176.916 177.338 -0.422 17716 342 1 1 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.205 -1.424 17716 343 1 1 . 1 1 72 72 GLU CB C 72 30.008 30.008 30.124 -0.116 17716 344 1 1 . 1 1 72 72 GLU H H 72 8.705 8.705 8.146 0.559 17716 345 1 1 . 1 1 73 73 GLY N N 73 110.370 110.370 107.865 2.505 17716 346 1 1 . 1 1 73 73 GLY C C 73 173.736 173.736 174.002 -0.266 17716 347 1 1 . 1 1 73 73 GLY CA C 73 45.264 45.264 44.571 0.693 17716 348 1 1 . 1 1 73 73 GLY H H 73 8.441 8.441 8.418 0.023 17716 349 1 2 . 1 1 2 2 ASP N N 2 117.290 117.290 123.675 -6.385 17716 350 1 2 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.245 0.793 17716 351 1 2 . 1 1 2 2 ASP H H 2 8.582 8.582 8.240 0.342 17716 352 1 2 . 1 1 3 3 MET N N 3 117.021 117.021 120.560 -3.539 17716 353 1 2 . 1 1 3 3 MET CA C 3 58.045 58.045 58.125 -0.080 17716 354 1 2 . 1 1 3 3 MET H H 3 8.539 8.539 8.324 0.215 17716 355 1 2 . 1 1 4 4 SER N N 4 121.274 121.274 114.433 6.841 17716 356 1 2 . 1 1 4 4 SER C C 4 176.458 176.458 174.604 1.854 17716 357 1 2 . 1 1 4 4 SER CA C 4 59.826 59.826 59.469 0.357 17716 358 1 2 . 1 1 4 4 SER H H 4 8.699 8.699 8.100 0.599 17716 359 1 2 . 1 1 5 5 ASN N N 5 115.377 115.377 118.443 -3.066 17716 360 1 2 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.685 -0.471 17716 361 1 2 . 1 1 5 5 ASN H H 5 8.125 8.125 8.184 -0.059 17716 362 1 2 . 1 1 6 6 VAL N N 6 121.274 121.274 119.510 1.764 17716 363 1 2 . 1 1 6 6 VAL C C 6 175.755 175.755 175.084 0.671 17716 364 1 2 . 1 1 6 6 VAL CA C 6 63.534 63.534 63.503 0.031 17716 365 1 2 . 1 1 6 6 VAL H H 6 7.572 7.572 7.598 -0.026 17716 366 1 2 . 1 1 7 7 VAL N N 7 125.259 125.259 125.240 0.019 17716 367 1 2 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.267 0.029 17716 368 1 2 . 1 1 7 7 VAL C C 7 175.602 175.602 173.734 1.868 17716 369 1 2 . 1 1 7 7 VAL CA C 7 63.725 63.725 61.498 2.227 17716 370 1 2 . 1 1 7 7 VAL CB C 7 32.784 32.784 34.797 -2.013 17716 371 1 2 . 1 1 7 7 VAL H H 7 8.572 8.572 7.879 0.693 17716 372 1 2 . 1 1 8 8 LYS N N 8 121.875 121.875 127.238 -5.363 17716 373 1 2 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.497 -0.159 17716 374 1 2 . 1 1 8 8 LYS C C 8 172.743 172.743 175.199 -2.456 17716 375 1 2 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.620 -0.113 17716 376 1 2 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.752 2.424 17716 377 1 2 . 1 1 8 8 LYS H H 8 7.437 7.437 8.657 -1.220 17716 378 1 2 . 1 1 9 9 THR N N 9 121.187 121.187 119.589 1.598 17716 379 1 2 . 1 1 9 9 THR HA H 9 5.106 5.106 4.894 0.212 17716 380 1 2 . 1 1 9 9 THR C C 9 173.660 173.660 173.219 0.441 17716 381 1 2 . 1 1 9 9 THR CA C 9 61.928 61.928 61.680 0.248 17716 382 1 2 . 1 1 9 9 THR CB C 9 71.703 71.703 70.278 1.425 17716 383 1 2 . 1 1 9 9 THR H H 9 8.041 8.041 8.055 -0.014 17716 384 1 2 . 1 1 10 10 TYR N N 10 123.795 123.795 125.127 -1.332 17716 385 1 2 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.567 0.219 17716 386 1 2 . 1 1 10 10 TYR C C 10 174.684 174.684 174.994 -0.310 17716 387 1 2 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.569 -0.221 17716 388 1 2 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.418 0.856 17716 389 1 2 . 1 1 10 10 TYR H H 10 9.078 9.078 8.122 0.956 17716 390 1 2 . 1 1 11 11 ASP N N 11 123.002 123.002 126.875 -3.873 17716 391 1 2 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.665 0.090 17716 392 1 2 . 1 1 11 11 ASP C C 11 176.137 176.137 175.330 0.807 17716 393 1 2 . 1 1 11 11 ASP CA C 11 54.666 54.666 54.993 -0.327 17716 394 1 2 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.757 0.938 17716 395 1 2 . 1 1 11 11 ASP H H 11 8.814 8.814 9.000 -0.186 17716 396 1 2 . 1 1 12 12 LEU N N 12 121.896 121.896 124.562 -2.666 17716 397 1 2 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.374 0.433 17716 398 1 2 . 1 1 12 12 LEU C C 12 179.072 179.072 177.753 1.319 17716 399 1 2 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.264 -1.325 17716 400 1 2 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.834 -1.850 17716 401 1 2 . 1 1 12 12 LEU H H 12 8.606 8.606 7.992 0.614 17716 402 1 2 . 1 1 13 13 GLN N N 13 119.615 119.615 119.772 -0.157 17716 403 1 2 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.124 -0.147 17716 404 1 2 . 1 1 13 13 GLN C C 13 175.923 175.923 176.378 -0.455 17716 405 1 2 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.271 0.217 17716 406 1 2 . 1 1 13 13 GLN CB C 13 28.270 28.270 29.011 -0.741 17716 407 1 2 . 1 1 13 13 GLN H H 13 8.360 8.360 8.318 0.042 17716 408 1 2 . 1 1 14 14 ASP N N 14 115.289 115.289 116.408 -1.119 17716 409 1 2 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.658 -0.171 17716 410 1 2 . 1 1 14 14 ASP C C 14 177.161 177.161 176.392 0.769 17716 411 1 2 . 1 1 14 14 ASP CA C 14 53.405 53.405 54.132 -0.727 17716 412 1 2 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.173 -0.294 17716 413 1 2 . 1 1 14 14 ASP H H 14 7.843 7.843 8.082 -0.239 17716 414 1 2 . 1 1 15 15 GLY N N 15 107.917 107.917 106.296 1.621 17716 415 1 2 . 1 1 15 15 GLY C C 15 174.333 174.333 174.139 0.194 17716 416 1 2 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.686 -0.498 17716 417 1 2 . 1 1 15 15 GLY H H 15 7.799 7.799 7.636 0.163 17716 418 1 2 . 1 1 16 16 SER N N 16 116.054 116.054 116.658 -0.604 17716 419 1 2 . 1 1 16 16 SER HA H 16 4.405 4.405 4.594 -0.189 17716 420 1 2 . 1 1 16 16 SER C C 16 172.146 172.146 173.504 -1.358 17716 421 1 2 . 1 1 16 16 SER CA C 16 58.450 58.450 58.266 0.184 17716 422 1 2 . 1 1 16 16 SER CB C 16 64.517 64.517 64.130 0.387 17716 423 1 2 . 1 1 16 16 SER H H 16 7.927 7.927 7.724 0.203 17716 424 1 2 . 1 1 17 17 LYS N N 17 117.434 117.434 119.460 -2.026 17716 425 1 2 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.094 0.089 17716 426 1 2 . 1 1 17 17 LYS C C 17 175.724 175.724 175.634 0.090 17716 427 1 2 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.698 -0.649 17716 428 1 2 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.520 1.148 17716 429 1 2 . 1 1 17 17 LYS H H 17 9.127 9.127 7.814 1.313 17716 430 1 2 . 1 1 18 18 VAL N N 18 117.543 117.543 123.319 -5.776 17716 431 1 2 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.684 0.331 17716 432 1 2 . 1 1 18 18 VAL C C 18 183.445 183.445 175.117 8.328 17716 433 1 2 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.957 -3.278 17716 434 1 2 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.089 1.420 17716 435 1 2 . 1 1 18 18 VAL H H 18 8.580 8.580 8.199 0.381 17716 436 1 2 . 1 1 19 19 HIS N N 19 128.371 128.371 122.671 5.700 17716 437 1 2 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.079 -0.073 17716 438 1 2 . 1 1 19 19 HIS C C 19 174.302 174.302 173.202 1.100 17716 439 1 2 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.475 0.115 17716 440 1 2 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.248 0.839 17716 441 1 2 . 1 1 19 19 HIS H H 19 8.901 8.901 8.912 -0.011 17716 442 1 2 . 1 1 20 20 VAL N N 20 123.150 123.150 122.587 0.563 17716 443 1 2 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.578 -0.132 17716 444 1 2 . 1 1 20 20 VAL C C 20 176.045 176.045 173.727 2.318 17716 445 1 2 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.522 0.986 17716 446 1 2 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.678 -1.064 17716 447 1 2 . 1 1 20 20 VAL H H 20 9.351 9.351 7.786 1.565 17716 448 1 2 . 1 1 21 21 PHE N N 21 124.942 124.942 125.445 -0.503 17716 449 1 2 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.538 0.348 17716 450 1 2 . 1 1 21 21 PHE C C 21 178.613 178.613 177.629 0.984 17716 451 1 2 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.486 1.232 17716 452 1 2 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.571 1.098 17716 453 1 2 . 1 1 21 21 PHE H H 21 9.324 9.324 8.768 0.556 17716 454 1 2 . 1 1 22 22 LYS N N 22 122.104 122.104 120.346 1.758 17716 455 1 2 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.153 -0.214 17716 456 1 2 . 1 1 22 22 LYS C C 22 175.969 175.969 176.850 -0.881 17716 457 1 2 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.862 1.002 17716 458 1 2 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.096 0.518 17716 459 1 2 . 1 1 22 22 LYS H H 22 8.411 8.411 8.767 -0.356 17716 460 1 2 . 1 1 23 23 ASP N N 23 114.797 114.797 117.323 -2.526 17716 461 1 2 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.594 -0.105 17716 462 1 2 . 1 1 23 23 ASP C C 23 176.794 176.794 176.996 -0.202 17716 463 1 2 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.795 -0.390 17716 464 1 2 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.490 -0.848 17716 465 1 2 . 1 1 23 23 ASP H H 23 8.006 8.006 7.970 0.036 17716 466 1 2 . 1 1 24 24 GLY N N 24 109.105 109.105 107.691 1.414 17716 467 1 2 . 1 1 24 24 GLY C C 24 173.844 173.844 174.430 -0.586 17716 468 1 2 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.224 -0.229 17716 469 1 2 . 1 1 24 24 GLY H H 24 8.346 8.346 7.514 0.832 17716 470 1 2 . 1 1 25 25 LYS N N 25 117.557 117.557 120.971 -3.414 17716 471 1 2 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.318 0.036 17716 472 1 2 . 1 1 25 25 LYS C C 25 175.862 175.862 176.447 -0.585 17716 473 1 2 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.475 -0.297 17716 474 1 2 . 1 1 25 25 LYS CB C 25 33.640 33.640 32.982 0.658 17716 475 1 2 . 1 1 25 25 LYS H H 25 7.584 7.584 8.096 -0.512 17716 476 1 2 . 1 1 26 26 MET N N 26 116.628 116.628 120.048 -3.420 17716 477 1 2 . 1 1 26 26 MET HA H 26 5.995 5.995 4.434 1.561 17716 478 1 2 . 1 1 26 26 MET C C 26 175.724 175.724 176.541 -0.817 17716 479 1 2 . 1 1 26 26 MET CA C 26 55.469 55.469 56.675 -1.206 17716 480 1 2 . 1 1 26 26 MET CB C 26 36.562 36.562 33.765 2.797 17716 481 1 2 . 1 1 26 26 MET H H 26 8.599 8.599 8.614 -0.015 17716 482 1 2 . 1 1 27 27 GLY N N 27 104.570 104.570 105.387 -0.817 17716 483 1 2 . 1 1 27 27 GLY C C 27 183.552 183.552 172.804 10.748 17716 484 1 2 . 1 1 27 27 GLY CA C 27 44.461 44.461 45.139 -0.678 17716 485 1 2 . 1 1 27 27 GLY H H 27 9.063 9.063 8.262 0.801 17716 486 1 2 . 1 1 28 28 MET N N 28 119.860 119.860 125.162 -5.302 17716 487 1 2 . 1 1 28 28 MET HA H 28 5.302 5.302 4.652 0.650 17716 488 1 2 . 1 1 28 28 MET C C 28 173.431 173.431 174.159 -0.728 17716 489 1 2 . 1 1 28 28 MET CA C 28 52.106 52.106 54.033 -1.927 17716 490 1 2 . 1 1 28 28 MET CB C 28 31.508 31.508 32.587 -1.079 17716 491 1 2 . 1 1 28 28 MET H H 28 8.751 8.751 9.080 -0.329 17716 492 1 2 . 1 1 29 29 GLU N N 29 123.440 123.440 125.199 -1.759 17716 493 1 2 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.646 0.361 17716 494 1 2 . 1 1 29 29 GLU C C 29 175.479 175.479 175.480 -0.001 17716 495 1 2 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.627 -0.528 17716 496 1 2 . 1 1 29 29 GLU CB C 29 34.430 34.430 32.285 2.144 17716 497 1 2 . 1 1 29 29 GLU H H 29 8.904 8.904 7.925 0.979 17716 498 1 2 . 1 1 30 30 ASN N N 30 123.219 123.219 126.203 -2.984 17716 499 1 2 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.654 -0.031 17716 500 1 2 . 1 1 30 30 ASN C C 30 176.886 176.886 176.173 0.713 17716 501 1 2 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.783 -1.365 17716 502 1 2 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.280 -0.112 17716 503 1 2 . 1 1 30 30 ASN H H 30 9.339 9.339 8.411 0.928 17716 504 1 2 . 1 1 31 31 LYS N N 31 116.491 116.491 119.480 -2.989 17716 505 1 2 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.315 -0.373 17716 506 1 2 . 1 1 31 31 LYS C C 31 175.663 175.663 176.166 -0.503 17716 507 1 2 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.107 0.999 17716 508 1 2 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.134 0.295 17716 509 1 2 . 1 1 31 31 LYS H H 31 8.512 8.512 8.570 -0.058 17716 510 1 2 . 1 1 32 32 PHE N N 32 117.885 117.885 120.609 -2.724 17716 511 1 2 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.487 0.268 17716 512 1 2 . 1 1 32 32 PHE C C 32 176.060 176.060 176.295 -0.235 17716 513 1 2 . 1 1 32 32 PHE CA C 32 56.577 56.577 58.620 -2.043 17716 514 1 2 . 1 1 32 32 PHE CB C 32 38.852 38.852 39.340 -0.488 17716 515 1 2 . 1 1 32 32 PHE H H 32 7.507 7.507 8.667 -1.160 17716 516 1 2 . 1 1 33 33 GLY N N 33 108.245 108.245 107.247 0.998 17716 517 1 2 . 1 1 33 33 GLY C C 33 173.828 173.828 173.528 0.300 17716 518 1 2 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.184 0.462 17716 519 1 2 . 1 1 33 33 GLY H H 33 8.062 8.062 8.134 -0.072 17716 520 1 2 . 1 1 34 34 LYS N N 34 117.724 117.724 118.838 -1.114 17716 521 1 2 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.656 -0.014 17716 522 1 2 . 1 1 34 34 LYS C C 34 175.862 175.862 174.501 1.361 17716 523 1 2 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.869 -1.808 17716 524 1 2 . 1 1 34 34 LYS CB C 34 34.193 34.193 36.200 -2.007 17716 525 1 2 . 1 1 34 34 LYS H H 34 7.561 7.561 8.377 -0.816 17716 526 1 2 . 1 1 35 35 SER N N 35 117.079 117.079 114.493 2.586 17716 527 1 2 . 1 1 35 35 SER HA H 35 5.001 5.001 4.739 0.262 17716 528 1 2 . 1 1 35 35 SER C C 35 174.210 174.210 173.915 0.295 17716 529 1 2 . 1 1 35 35 SER CA C 35 57.953 57.953 57.899 0.054 17716 530 1 2 . 1 1 35 35 SER CB C 35 64.043 64.043 64.902 -0.859 17716 531 1 2 . 1 1 35 35 SER H H 35 8.588 8.588 8.386 0.202 17716 532 1 2 . 1 1 36 36 MET N N 36 117.966 117.966 120.912 -2.946 17716 533 1 2 . 1 1 36 36 MET HA H 36 4.765 4.765 4.612 0.153 17716 534 1 2 . 1 1 36 36 MET C C 36 173.461 173.461 174.377 -0.916 17716 535 1 2 . 1 1 36 36 MET CA C 36 54.055 54.055 54.350 -0.295 17716 536 1 2 . 1 1 36 36 MET CB C 36 36.009 36.009 35.812 0.197 17716 537 1 2 . 1 1 36 36 MET H H 36 8.044 8.044 8.339 -0.295 17716 538 1 2 . 1 1 37 37 ASN N N 37 122.101 122.101 124.255 -2.154 17716 539 1 2 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.679 0.016 17716 540 1 2 . 1 1 37 37 ASN C C 37 175.770 175.770 174.562 1.208 17716 541 1 2 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.559 0.458 17716 542 1 2 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.680 2.304 17716 543 1 2 . 1 1 37 37 ASN H H 37 8.753 8.753 8.680 0.073 17716 544 1 2 . 1 1 38 38 MET N N 38 122.627 122.627 127.217 -4.590 17716 545 1 2 . 1 1 38 38 MET HA H 38 4.623 4.623 5.039 -0.416 17716 546 1 2 . 1 1 38 38 MET CA C 38 54.093 54.093 52.076 2.017 17716 547 1 2 . 1 1 38 38 MET CB C 38 38.708 38.708 34.831 3.877 17716 548 1 2 . 1 1 38 38 MET H H 38 8.133 8.133 8.155 -0.022 17716 549 1 2 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.462 -0.182 17716 550 1 2 . 1 1 39 39 PRO C C 39 175.831 175.831 176.432 -0.601 17716 551 1 2 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.272 0.382 17716 552 1 2 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.688 -0.232 17716 553 1 2 . 1 1 40 40 GLU N N 40 120.437 120.437 121.816 -1.379 17716 554 1 2 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.263 -0.567 17716 555 1 2 . 1 1 40 40 GLU C C 40 177.757 177.757 177.045 0.712 17716 556 1 2 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.097 0.703 17716 557 1 2 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.266 0.742 17716 558 1 2 . 1 1 40 40 GLU H H 40 8.322 8.322 8.699 -0.377 17716 559 1 2 . 1 1 41 41 GLY N N 41 112.092 112.092 115.093 -3.001 17716 560 1 2 . 1 1 41 41 GLY C C 41 173.935 173.935 174.517 -0.582 17716 561 1 2 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.972 -0.167 17716 562 1 2 . 1 1 41 41 GLY H H 41 9.188 9.188 8.485 0.703 17716 563 1 2 . 1 1 42 42 LYS N N 42 120.325 120.325 123.618 -3.293 17716 564 1 2 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.287 -0.039 17716 565 1 2 . 1 1 42 42 LYS C C 42 175.755 175.755 176.391 -0.636 17716 566 1 2 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.769 -0.070 17716 567 1 2 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.161 1.690 17716 568 1 2 . 1 1 42 42 LYS H H 42 6.967 6.967 7.715 -0.748 17716 569 1 2 . 1 1 43 43 VAL N N 43 124.724 124.724 123.284 1.440 17716 570 1 2 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.666 0.311 17716 571 1 2 . 1 1 43 43 VAL C C 43 175.770 175.770 175.702 0.068 17716 572 1 2 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.136 -0.526 17716 573 1 2 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.708 0.274 17716 574 1 2 . 1 1 43 43 VAL H H 43 8.572 8.572 8.221 0.351 17716 575 1 2 . 1 1 44 44 MET N N 44 127.278 127.278 127.424 -0.146 17716 576 1 2 . 1 1 44 44 MET HA H 44 4.545 4.545 4.795 -0.250 17716 577 1 2 . 1 1 44 44 MET C C 44 173.522 173.522 174.854 -1.332 17716 578 1 2 . 1 1 44 44 MET CA C 44 53.558 53.558 54.509 -0.951 17716 579 1 2 . 1 1 44 44 MET CB C 44 34.351 34.351 35.058 -0.707 17716 580 1 2 . 1 1 44 44 MET H H 44 8.963 8.963 8.692 0.271 17716 581 1 2 . 1 1 45 45 GLU N N 45 122.374 122.374 123.904 -1.530 17716 582 1 2 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.015 0.094 17716 583 1 2 . 1 1 45 45 GLU C C 45 176.320 176.320 176.476 -0.156 17716 584 1 2 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.737 1.006 17716 585 1 2 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.473 -0.491 17716 586 1 2 . 1 1 45 45 GLU H H 45 8.668 8.668 8.768 -0.100 17716 587 1 2 . 1 1 46 46 THR N N 46 116.696 116.696 118.133 -1.437 17716 588 1 2 . 1 1 46 46 THR HA H 46 4.757 4.757 4.898 -0.141 17716 589 1 2 . 1 1 46 46 THR C C 46 176.657 176.657 176.720 -0.063 17716 590 1 2 . 1 1 46 46 THR CA C 46 61.317 61.317 61.086 0.231 17716 591 1 2 . 1 1 46 46 THR CB C 46 70.203 70.203 70.767 -0.564 17716 592 1 2 . 1 1 46 46 THR H H 46 9.083 9.083 8.223 0.860 17716 593 1 2 . 1 1 47 47 ARG N N 47 119.546 119.546 122.640 -3.094 17716 594 1 2 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.027 -0.011 17716 595 1 2 . 1 1 47 47 ARG C C 47 176.519 176.519 177.694 -1.175 17716 596 1 2 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.550 -0.259 17716 597 1 2 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.965 -0.273 17716 598 1 2 . 1 1 47 47 ARG H H 47 8.580 8.580 8.540 0.040 17716 599 1 2 . 1 1 48 48 ASP N N 48 114.579 114.579 115.571 -0.992 17716 600 1 2 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.556 0.153 17716 601 1 2 . 1 1 48 48 ASP C C 48 176.519 176.519 177.205 -0.686 17716 602 1 2 . 1 1 48 48 ASP CA C 48 53.443 53.443 53.934 -0.491 17716 603 1 2 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.410 0.022 17716 604 1 2 . 1 1 48 48 ASP H H 48 7.884 7.884 8.245 -0.361 17716 605 1 2 . 1 1 49 49 GLY N N 49 107.958 107.958 108.491 -0.533 17716 606 1 2 . 1 1 49 49 GLY C C 49 174.547 174.547 174.677 -0.130 17716 607 1 2 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.305 -0.041 17716 608 1 2 . 1 1 49 49 GLY H H 49 7.838 7.838 8.084 -0.246 17716 609 1 2 . 1 1 50 50 THR N N 50 118.527 118.527 117.710 0.817 17716 610 1 2 . 1 1 50 50 THR HA H 50 4.100 4.100 4.391 -0.291 17716 611 1 2 . 1 1 50 50 THR C C 50 173.339 173.339 173.830 -0.491 17716 612 1 2 . 1 1 50 50 THR CA C 50 63.381 63.381 62.157 1.224 17716 613 1 2 . 1 1 50 50 THR CB C 50 68.781 68.781 69.160 -0.380 17716 614 1 2 . 1 1 50 50 THR H H 50 7.783 7.783 8.270 -0.487 17716 615 1 2 . 1 1 51 51 LYS N N 51 125.284 125.284 130.326 -5.042 17716 616 1 2 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.478 0.593 17716 617 1 2 . 1 1 51 51 LYS C C 51 176.137 176.137 176.108 0.029 17716 618 1 2 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.454 -1.367 17716 619 1 2 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.701 0.623 17716 620 1 2 . 1 1 51 51 LYS H H 51 8.569 8.569 8.678 -0.109 17716 621 1 2 . 1 1 52 52 ILE N N 52 123.781 123.781 123.484 0.297 17716 622 1 2 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.471 -0.299 17716 623 1 2 . 1 1 52 52 ILE C C 52 174.730 174.730 174.557 0.173 17716 624 1 2 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.637 -0.078 17716 625 1 2 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.497 1.356 17716 626 1 2 . 1 1 52 52 ILE H H 52 8.887 8.887 8.804 0.083 17716 627 1 2 . 1 1 53 53 ILE N N 53 128.421 128.421 125.280 3.141 17716 628 1 2 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.274 -0.193 17716 629 1 2 . 1 1 53 53 ILE C C 53 176.412 176.412 175.795 0.617 17716 630 1 2 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.547 -0.071 17716 631 1 2 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.640 -2.209 17716 632 1 2 . 1 1 53 53 ILE H H 53 8.567 8.567 8.497 0.070 17716 633 1 2 . 1 1 54 54 MET N N 54 126.582 126.582 126.483 0.099 17716 634 1 2 . 1 1 54 54 MET HA H 54 4.282 4.282 4.352 -0.070 17716 635 1 2 . 1 1 54 54 MET C C 54 174.547 174.547 175.420 -0.873 17716 636 1 2 . 1 1 54 54 MET CA C 54 56.424 56.424 55.203 1.220 17716 637 1 2 . 1 1 54 54 MET CB C 54 31.587 31.587 30.365 1.222 17716 638 1 2 . 1 1 54 54 MET H H 54 8.886 8.886 8.738 0.148 17716 639 1 2 . 1 1 55 55 LYS N N 55 106.838 106.838 127.504 -20.666 17716 640 1 2 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.222 0.482 17716 641 1 2 . 1 1 55 55 LYS C C 55 175.051 175.051 177.561 -2.510 17716 642 1 2 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.511 -3.080 17716 643 1 2 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.489 1.704 17716 644 1 2 . 1 1 55 55 LYS H H 55 8.559 8.559 8.199 0.360 17716 645 1 2 . 1 1 56 56 GLY N N 56 113.486 113.486 106.561 6.925 17716 646 1 2 . 1 1 56 56 GLY C C 56 181.029 181.029 174.189 6.840 17716 647 1 2 . 1 1 56 56 GLY CA C 56 44.461 44.461 45.124 -0.663 17716 648 1 2 . 1 1 56 56 GLY H H 56 9.317 9.317 8.545 0.772 17716 649 1 2 . 1 1 57 57 ASN N N 57 112.557 112.557 119.591 -7.034 17716 650 1 2 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.585 0.145 17716 651 1 2 . 1 1 57 57 ASN C C 57 177.023 177.023 175.701 1.322 17716 652 1 2 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.696 0.282 17716 653 1 2 . 1 1 57 57 ASN CB C 57 37.273 37.273 39.016 -1.743 17716 654 1 2 . 1 1 57 57 ASN H H 57 8.732 8.732 8.279 0.453 17716 655 1 2 . 1 1 58 58 GLU N N 58 123.440 123.440 120.663 2.777 17716 656 1 2 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.384 -0.010 17716 657 1 2 . 1 1 58 58 GLU C C 58 176.244 176.244 177.324 -1.080 17716 658 1 2 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.372 -0.629 17716 659 1 2 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.767 0.030 17716 660 1 2 . 1 1 58 58 GLU H H 58 9.124 9.124 8.324 0.800 17716 661 1 2 . 1 1 59 59 ILE N N 59 120.912 120.912 119.784 1.128 17716 662 1 2 . 1 1 59 59 ILE HA H 59 3.627 3.627 4.034 -0.407 17716 663 1 2 . 1 1 59 59 ILE C C 59 177.360 177.360 177.091 0.269 17716 664 1 2 . 1 1 59 59 ILE CA C 59 64.833 64.833 64.016 0.817 17716 665 1 2 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.971 -0.145 17716 666 1 2 . 1 1 59 59 ILE H H 59 7.703 7.703 7.851 -0.148 17716 667 1 2 . 1 1 60 60 PHE N N 60 119.669 119.669 121.271 -1.602 17716 668 1 2 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.161 0.322 17716 669 1 2 . 1 1 60 60 PHE C C 60 178.889 178.889 176.809 2.080 17716 670 1 2 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.705 -0.191 17716 671 1 2 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.999 -0.937 17716 672 1 2 . 1 1 60 60 PHE H H 60 7.934 7.934 8.167 -0.233 17716 673 1 2 . 1 1 61 61 ARG N N 61 119.587 119.587 119.697 -0.110 17716 674 1 2 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.874 0.163 17716 675 1 2 . 1 1 61 61 ARG C C 61 180.051 180.051 178.320 1.731 17716 676 1 2 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.818 0.014 17716 677 1 2 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.524 2.073 17716 678 1 2 . 1 1 61 61 ARG H H 61 8.133 8.133 7.587 0.546 17716 679 1 2 . 1 1 62 62 LEU N N 62 121.008 121.008 119.357 1.651 17716 680 1 2 . 1 1 62 62 LEU CA C 62 57.227 57.227 58.615 -1.388 17716 681 1 2 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.108 -0.872 17716 682 1 2 . 1 1 62 62 LEU H H 62 8.517 8.517 8.047 0.470 17716 683 1 2 . 1 1 70 70 HIS C C 70 177.253 177.253 173.580 3.673 17716 684 1 2 . 1 1 71 71 SER N N 71 121.301 121.301 115.227 6.074 17716 685 1 2 . 1 1 71 71 SER C C 71 173.461 173.461 174.231 -0.770 17716 686 1 2 . 1 1 71 71 SER CA C 71 58.259 58.259 58.998 -0.740 17716 687 1 2 . 1 1 71 71 SER H H 71 8.652 8.652 8.660 -0.008 17716 688 1 2 . 1 1 72 72 GLU N N 72 122.601 122.601 118.539 4.062 17716 689 1 2 . 1 1 72 72 GLU C C 72 176.916 176.916 176.427 0.489 17716 690 1 2 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.386 -1.605 17716 691 1 2 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.447 0.561 17716 692 1 2 . 1 1 72 72 GLU H H 72 8.705 8.705 8.468 0.237 17716 693 1 2 . 1 1 73 73 GLY N N 73 110.370 110.370 110.450 -0.080 17716 694 1 2 . 1 1 73 73 GLY C C 73 173.736 173.736 173.773 -0.037 17716 695 1 2 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.477 -0.213 17716 696 1 2 . 1 1 73 73 GLY H H 73 8.441 8.441 8.483 -0.042 17716 697 1 3 . 1 1 2 2 ASP N N 2 117.290 117.290 123.251 -5.961 17716 698 1 3 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.306 0.732 17716 699 1 3 . 1 1 2 2 ASP H H 2 8.582 8.582 8.473 0.109 17716 700 1 3 . 1 1 3 3 MET N N 3 117.021 117.021 118.595 -1.574 17716 701 1 3 . 1 1 3 3 MET CA C 3 58.045 58.045 57.944 0.101 17716 702 1 3 . 1 1 3 3 MET H H 3 8.539 8.539 8.098 0.441 17716 703 1 3 . 1 1 4 4 SER N N 4 121.274 121.274 114.328 6.946 17716 704 1 3 . 1 1 4 4 SER C C 4 176.458 176.458 174.433 2.025 17716 705 1 3 . 1 1 4 4 SER CA C 4 59.826 59.826 59.982 -0.156 17716 706 1 3 . 1 1 4 4 SER H H 4 8.699 8.699 8.207 0.492 17716 707 1 3 . 1 1 5 5 ASN N N 5 115.377 115.377 116.755 -1.378 17716 708 1 3 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.176 0.038 17716 709 1 3 . 1 1 5 5 ASN H H 5 8.125 8.125 7.410 0.715 17716 710 1 3 . 1 1 6 6 VAL N N 6 121.274 121.274 120.819 0.455 17716 711 1 3 . 1 1 6 6 VAL C C 6 175.755 175.755 176.199 -0.444 17716 712 1 3 . 1 1 6 6 VAL CA C 6 63.534 63.534 62.706 0.827 17716 713 1 3 . 1 1 6 6 VAL H H 6 7.572 7.572 8.196 -0.624 17716 714 1 3 . 1 1 7 7 VAL N N 7 125.259 125.259 119.674 5.585 17716 715 1 3 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.026 0.270 17716 716 1 3 . 1 1 7 7 VAL C C 7 175.602 175.602 175.965 -0.363 17716 717 1 3 . 1 1 7 7 VAL CA C 7 63.725 63.725 63.828 -0.103 17716 718 1 3 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.437 0.347 17716 719 1 3 . 1 1 7 7 VAL H H 7 8.572 8.572 8.371 0.201 17716 720 1 3 . 1 1 8 8 LYS N N 8 121.875 121.875 118.846 3.029 17716 721 1 3 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.316 0.022 17716 722 1 3 . 1 1 8 8 LYS C C 8 172.743 172.743 174.346 -1.603 17716 723 1 3 . 1 1 8 8 LYS CA C 8 55.507 55.507 56.688 -1.181 17716 724 1 3 . 1 1 8 8 LYS CB C 8 36.176 36.176 34.362 1.814 17716 725 1 3 . 1 1 8 8 LYS H H 8 7.437 7.437 7.849 -0.412 17716 726 1 3 . 1 1 9 9 THR N N 9 121.187 121.187 119.680 1.507 17716 727 1 3 . 1 1 9 9 THR HA H 9 5.106 5.106 4.872 0.234 17716 728 1 3 . 1 1 9 9 THR C C 9 173.660 173.660 173.179 0.481 17716 729 1 3 . 1 1 9 9 THR CA C 9 61.928 61.928 61.434 0.494 17716 730 1 3 . 1 1 9 9 THR CB C 9 71.703 71.703 70.705 0.998 17716 731 1 3 . 1 1 9 9 THR H H 9 8.041 8.041 7.821 0.220 17716 732 1 3 . 1 1 10 10 TYR N N 10 123.795 123.795 125.855 -2.060 17716 733 1 3 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.651 0.135 17716 734 1 3 . 1 1 10 10 TYR C C 10 174.684 174.684 174.528 0.156 17716 735 1 3 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.329 0.019 17716 736 1 3 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.163 1.111 17716 737 1 3 . 1 1 10 10 TYR H H 10 9.078 9.078 8.104 0.974 17716 738 1 3 . 1 1 11 11 ASP N N 11 123.002 123.002 125.062 -2.060 17716 739 1 3 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.621 0.134 17716 740 1 3 . 1 1 11 11 ASP C C 11 176.137 176.137 175.637 0.500 17716 741 1 3 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.090 -0.423 17716 742 1 3 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.857 0.838 17716 743 1 3 . 1 1 11 11 ASP H H 11 8.814 8.814 8.938 -0.124 17716 744 1 3 . 1 1 12 12 LEU N N 12 121.896 121.896 124.666 -2.770 17716 745 1 3 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.420 0.387 17716 746 1 3 . 1 1 12 12 LEU C C 12 179.072 179.072 178.338 0.734 17716 747 1 3 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.318 -1.378 17716 748 1 3 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.778 -1.794 17716 749 1 3 . 1 1 12 12 LEU H H 12 8.606 8.606 8.093 0.513 17716 750 1 3 . 1 1 13 13 GLN N N 13 119.615 119.615 123.492 -3.877 17716 751 1 3 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.112 -0.135 17716 752 1 3 . 1 1 13 13 GLN C C 13 175.923 175.923 176.512 -0.589 17716 753 1 3 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.384 0.104 17716 754 1 3 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.770 -0.500 17716 755 1 3 . 1 1 13 13 GLN H H 13 8.360 8.360 8.467 -0.107 17716 756 1 3 . 1 1 14 14 ASP N N 14 115.289 115.289 117.865 -2.576 17716 757 1 3 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.609 -0.122 17716 758 1 3 . 1 1 14 14 ASP C C 14 177.161 177.161 176.724 0.437 17716 759 1 3 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.232 0.173 17716 760 1 3 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.380 -0.501 17716 761 1 3 . 1 1 14 14 ASP H H 14 7.843 7.843 8.068 -0.225 17716 762 1 3 . 1 1 15 15 GLY N N 15 107.917 107.917 106.568 1.349 17716 763 1 3 . 1 1 15 15 GLY C C 15 174.333 174.333 174.958 -0.625 17716 764 1 3 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.768 -0.580 17716 765 1 3 . 1 1 15 15 GLY H H 15 7.799 7.799 7.662 0.137 17716 766 1 3 . 1 1 16 16 SER N N 16 116.054 116.054 118.073 -2.019 17716 767 1 3 . 1 1 16 16 SER HA H 16 4.405 4.405 4.550 -0.145 17716 768 1 3 . 1 1 16 16 SER C C 16 172.146 172.146 172.745 -0.599 17716 769 1 3 . 1 1 16 16 SER CA C 16 58.450 58.450 58.750 -0.300 17716 770 1 3 . 1 1 16 16 SER CB C 16 64.517 64.517 64.592 -0.075 17716 771 1 3 . 1 1 16 16 SER H H 16 7.927 7.927 7.848 0.079 17716 772 1 3 . 1 1 17 17 LYS N N 17 117.434 117.434 118.814 -1.380 17716 773 1 3 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.011 0.172 17716 774 1 3 . 1 1 17 17 LYS C C 17 175.724 175.724 175.016 0.708 17716 775 1 3 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.758 -0.709 17716 776 1 3 . 1 1 17 17 LYS CB C 17 37.668 37.668 35.855 1.813 17716 777 1 3 . 1 1 17 17 LYS H H 17 9.127 9.127 7.832 1.295 17716 778 1 3 . 1 1 18 18 VAL N N 18 117.543 117.543 120.384 -2.841 17716 779 1 3 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.853 0.162 17716 780 1 3 . 1 1 18 18 VAL C C 18 183.445 183.445 175.411 8.034 17716 781 1 3 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.188 -2.509 17716 782 1 3 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.272 1.237 17716 783 1 3 . 1 1 18 18 VAL H H 18 8.580 8.580 8.185 0.395 17716 784 1 3 . 1 1 19 19 HIS N N 19 128.371 128.371 121.618 6.753 17716 785 1 3 . 1 1 19 19 HIS HA H 19 5.006 5.006 4.953 0.053 17716 786 1 3 . 1 1 19 19 HIS C C 19 174.302 174.302 173.418 0.884 17716 787 1 3 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.378 0.212 17716 788 1 3 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.510 0.577 17716 789 1 3 . 1 1 19 19 HIS H H 19 8.901 8.901 8.797 0.104 17716 790 1 3 . 1 1 20 20 VAL N N 20 123.150 123.150 122.134 1.016 17716 791 1 3 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.440 0.006 17716 792 1 3 . 1 1 20 20 VAL C C 20 176.045 176.045 173.732 2.313 17716 793 1 3 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.688 0.820 17716 794 1 3 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.212 -0.598 17716 795 1 3 . 1 1 20 20 VAL H H 20 9.351 9.351 7.733 1.618 17716 796 1 3 . 1 1 21 21 PHE N N 21 124.942 124.942 124.289 0.653 17716 797 1 3 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.675 0.211 17716 798 1 3 . 1 1 21 21 PHE C C 21 178.613 178.613 177.723 0.890 17716 799 1 3 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.290 1.428 17716 800 1 3 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.176 0.493 17716 801 1 3 . 1 1 21 21 PHE H H 21 9.324 9.324 8.847 0.477 17716 802 1 3 . 1 1 22 22 LYS N N 22 122.104 122.104 120.346 1.758 17716 803 1 3 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.188 -0.249 17716 804 1 3 . 1 1 22 22 LYS C C 22 175.969 175.969 176.475 -0.506 17716 805 1 3 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.684 1.180 17716 806 1 3 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.049 0.565 17716 807 1 3 . 1 1 22 22 LYS H H 22 8.411 8.411 8.880 -0.469 17716 808 1 3 . 1 1 23 23 ASP N N 23 114.797 114.797 117.520 -2.723 17716 809 1 3 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.737 -0.248 17716 810 1 3 . 1 1 23 23 ASP C C 23 176.794 176.794 176.800 -0.006 17716 811 1 3 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.755 -0.350 17716 812 1 3 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.233 -0.591 17716 813 1 3 . 1 1 23 23 ASP H H 23 8.006 8.006 8.191 -0.185 17716 814 1 3 . 1 1 24 24 GLY N N 24 109.105 109.105 106.998 2.107 17716 815 1 3 . 1 1 24 24 GLY C C 24 173.844 173.844 174.169 -0.325 17716 816 1 3 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.429 -0.433 17716 817 1 3 . 1 1 24 24 GLY H H 24 8.346 8.346 7.585 0.761 17716 818 1 3 . 1 1 25 25 LYS N N 25 117.557 117.557 120.733 -3.176 17716 819 1 3 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.253 0.101 17716 820 1 3 . 1 1 25 25 LYS C C 25 175.862 175.862 176.495 -0.633 17716 821 1 3 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.626 -0.448 17716 822 1 3 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.044 0.596 17716 823 1 3 . 1 1 25 25 LYS H H 25 7.584 7.584 7.810 -0.226 17716 824 1 3 . 1 1 26 26 MET N N 26 116.628 116.628 120.433 -3.805 17716 825 1 3 . 1 1 26 26 MET HA H 26 5.995 5.995 4.536 1.459 17716 826 1 3 . 1 1 26 26 MET C C 26 175.724 175.724 176.385 -0.661 17716 827 1 3 . 1 1 26 26 MET CA C 26 55.469 55.469 56.572 -1.103 17716 828 1 3 . 1 1 26 26 MET CB C 26 36.562 36.562 34.701 1.861 17716 829 1 3 . 1 1 26 26 MET H H 26 8.599 8.599 8.837 -0.238 17716 830 1 3 . 1 1 27 27 GLY N N 27 104.570 104.570 106.066 -1.496 17716 831 1 3 . 1 1 27 27 GLY C C 27 183.552 183.552 172.903 10.649 17716 832 1 3 . 1 1 27 27 GLY CA C 27 44.461 44.461 45.045 -0.584 17716 833 1 3 . 1 1 27 27 GLY H H 27 9.063 9.063 8.333 0.730 17716 834 1 3 . 1 1 28 28 MET N N 28 119.860 119.860 125.252 -5.392 17716 835 1 3 . 1 1 28 28 MET HA H 28 5.302 5.302 4.561 0.741 17716 836 1 3 . 1 1 28 28 MET C C 28 173.431 173.431 174.354 -0.923 17716 837 1 3 . 1 1 28 28 MET CA C 28 52.106 52.106 54.483 -2.377 17716 838 1 3 . 1 1 28 28 MET CB C 28 31.508 31.508 32.612 -1.104 17716 839 1 3 . 1 1 28 28 MET H H 28 8.751 8.751 8.949 -0.198 17716 840 1 3 . 1 1 29 29 GLU N N 29 123.440 123.440 127.504 -4.064 17716 841 1 3 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.641 0.366 17716 842 1 3 . 1 1 29 29 GLU C C 29 175.479 175.479 175.644 -0.165 17716 843 1 3 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.561 -0.462 17716 844 1 3 . 1 1 29 29 GLU CB C 29 34.430 34.430 31.130 3.300 17716 845 1 3 . 1 1 29 29 GLU H H 29 8.904 8.904 8.078 0.826 17716 846 1 3 . 1 1 30 30 ASN N N 30 123.219 123.219 125.672 -2.453 17716 847 1 3 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.714 -0.091 17716 848 1 3 . 1 1 30 30 ASN C C 30 176.886 176.886 176.567 0.319 17716 849 1 3 . 1 1 30 30 ASN CA C 30 51.418 51.418 53.418 -2.000 17716 850 1 3 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.511 -0.343 17716 851 1 3 . 1 1 30 30 ASN H H 30 9.339 9.339 8.283 1.056 17716 852 1 3 . 1 1 31 31 LYS N N 31 116.491 116.491 122.324 -5.833 17716 853 1 3 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.127 -0.185 17716 854 1 3 . 1 1 31 31 LYS C C 31 175.663 175.663 176.308 -0.645 17716 855 1 3 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.907 0.198 17716 856 1 3 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.282 0.147 17716 857 1 3 . 1 1 31 31 LYS H H 31 8.512 8.512 8.613 -0.101 17716 858 1 3 . 1 1 32 32 PHE N N 32 117.885 117.885 118.998 -1.113 17716 859 1 3 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.502 0.253 17716 860 1 3 . 1 1 32 32 PHE C C 32 176.060 176.060 176.089 -0.029 17716 861 1 3 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.791 -1.214 17716 862 1 3 . 1 1 32 32 PHE CB C 32 38.852 38.852 39.072 -0.220 17716 863 1 3 . 1 1 32 32 PHE H H 32 7.507 7.507 7.740 -0.233 17716 864 1 3 . 1 1 33 33 GLY N N 33 108.245 108.245 106.865 1.380 17716 865 1 3 . 1 1 33 33 GLY C C 33 173.828 173.828 173.643 0.185 17716 866 1 3 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.204 0.442 17716 867 1 3 . 1 1 33 33 GLY H H 33 8.062 8.062 7.934 0.128 17716 868 1 3 . 1 1 34 34 LYS N N 34 117.724 117.724 118.463 -0.739 17716 869 1 3 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.698 -0.056 17716 870 1 3 . 1 1 34 34 LYS C C 34 175.862 175.862 174.914 0.948 17716 871 1 3 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.040 -0.979 17716 872 1 3 . 1 1 34 34 LYS CB C 34 34.193 34.193 36.839 -2.646 17716 873 1 3 . 1 1 34 34 LYS H H 34 7.561 7.561 7.518 0.043 17716 874 1 3 . 1 1 35 35 SER N N 35 117.079 117.079 116.708 0.371 17716 875 1 3 . 1 1 35 35 SER HA H 35 5.001 5.001 4.779 0.222 17716 876 1 3 . 1 1 35 35 SER C C 35 174.210 174.210 173.851 0.359 17716 877 1 3 . 1 1 35 35 SER CA C 35 57.953 57.953 58.541 -0.588 17716 878 1 3 . 1 1 35 35 SER CB C 35 64.043 64.043 63.831 0.212 17716 879 1 3 . 1 1 35 35 SER H H 35 8.588 8.588 8.614 -0.026 17716 880 1 3 . 1 1 36 36 MET N N 36 117.966 117.966 125.018 -7.052 17716 881 1 3 . 1 1 36 36 MET HA H 36 4.765 4.765 4.586 0.179 17716 882 1 3 . 1 1 36 36 MET C C 36 173.461 173.461 174.732 -1.271 17716 883 1 3 . 1 1 36 36 MET CA C 36 54.055 54.055 53.260 0.795 17716 884 1 3 . 1 1 36 36 MET CB C 36 36.009 36.009 33.806 2.203 17716 885 1 3 . 1 1 36 36 MET H H 36 8.044 8.044 8.132 -0.088 17716 886 1 3 . 1 1 37 37 ASN N N 37 122.101 122.101 125.959 -3.858 17716 887 1 3 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.630 0.065 17716 888 1 3 . 1 1 37 37 ASN C C 37 175.770 175.770 174.498 1.272 17716 889 1 3 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.034 0.983 17716 890 1 3 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.603 2.381 17716 891 1 3 . 1 1 37 37 ASN H H 37 8.753 8.753 8.766 -0.013 17716 892 1 3 . 1 1 38 38 MET N N 38 122.627 122.627 126.624 -3.997 17716 893 1 3 . 1 1 38 38 MET HA H 38 4.623 4.623 4.823 -0.200 17716 894 1 3 . 1 1 38 38 MET CA C 38 54.093 54.093 52.938 1.155 17716 895 1 3 . 1 1 38 38 MET CB C 38 38.708 38.708 33.485 5.223 17716 896 1 3 . 1 1 38 38 MET H H 38 8.133 8.133 7.769 0.364 17716 897 1 3 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.239 0.041 17716 898 1 3 . 1 1 39 39 PRO C C 39 175.831 175.831 176.579 -0.748 17716 899 1 3 . 1 1 39 39 PRO CA C 39 62.654 62.654 63.049 -0.395 17716 900 1 3 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.142 0.314 17716 901 1 3 . 1 1 40 40 GLU N N 40 120.437 120.437 123.642 -3.205 17716 902 1 3 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.196 -0.500 17716 903 1 3 . 1 1 40 40 GLU C C 40 177.757 177.757 177.190 0.567 17716 904 1 3 . 1 1 40 40 GLU CA C 40 57.800 57.800 56.742 1.058 17716 905 1 3 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.988 1.020 17716 906 1 3 . 1 1 40 40 GLU H H 40 8.322 8.322 8.528 -0.206 17716 907 1 3 . 1 1 41 41 GLY N N 41 112.092 112.092 114.303 -2.211 17716 908 1 3 . 1 1 41 41 GLY C C 41 173.935 173.935 174.667 -0.732 17716 909 1 3 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.837 -0.032 17716 910 1 3 . 1 1 41 41 GLY H H 41 9.188 9.188 8.568 0.620 17716 911 1 3 . 1 1 42 42 LYS N N 42 120.325 120.325 124.257 -3.932 17716 912 1 3 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.250 -0.002 17716 913 1 3 . 1 1 42 42 LYS C C 42 175.755 175.755 176.874 -1.119 17716 914 1 3 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.785 -0.087 17716 915 1 3 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.076 1.775 17716 916 1 3 . 1 1 42 42 LYS H H 42 6.967 6.967 7.705 -0.738 17716 917 1 3 . 1 1 43 43 VAL N N 43 124.724 124.724 122.617 2.107 17716 918 1 3 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.697 0.280 17716 919 1 3 . 1 1 43 43 VAL C C 43 175.770 175.770 176.194 -0.424 17716 920 1 3 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.395 -0.785 17716 921 1 3 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.268 0.714 17716 922 1 3 . 1 1 43 43 VAL H H 43 8.572 8.572 8.499 0.073 17716 923 1 3 . 1 1 44 44 MET N N 44 127.278 127.278 128.040 -0.762 17716 924 1 3 . 1 1 44 44 MET HA H 44 4.545 4.545 4.793 -0.248 17716 925 1 3 . 1 1 44 44 MET C C 44 173.522 173.522 174.759 -1.237 17716 926 1 3 . 1 1 44 44 MET CA C 44 53.558 53.558 54.678 -1.120 17716 927 1 3 . 1 1 44 44 MET CB C 44 34.351 34.351 35.264 -0.913 17716 928 1 3 . 1 1 44 44 MET H H 44 8.963 8.963 8.894 0.069 17716 929 1 3 . 1 1 45 45 GLU N N 45 122.374 122.374 123.398 -1.024 17716 930 1 3 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.120 -0.011 17716 931 1 3 . 1 1 45 45 GLU C C 45 176.320 176.320 176.646 -0.326 17716 932 1 3 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.935 0.808 17716 933 1 3 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.350 -0.368 17716 934 1 3 . 1 1 45 45 GLU H H 45 8.668 8.668 8.770 -0.102 17716 935 1 3 . 1 1 46 46 THR N N 46 116.696 116.696 117.822 -1.126 17716 936 1 3 . 1 1 46 46 THR HA H 46 4.757 4.757 4.957 -0.200 17716 937 1 3 . 1 1 46 46 THR C C 46 176.657 176.657 175.908 0.749 17716 938 1 3 . 1 1 46 46 THR CA C 46 61.317 61.317 60.637 0.680 17716 939 1 3 . 1 1 46 46 THR CB C 46 70.203 70.203 70.704 -0.501 17716 940 1 3 . 1 1 46 46 THR H H 46 9.083 9.083 8.163 0.920 17716 941 1 3 . 1 1 47 47 ARG N N 47 119.546 119.546 119.991 -0.445 17716 942 1 3 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.106 -0.090 17716 943 1 3 . 1 1 47 47 ARG C C 47 176.519 176.519 177.487 -0.968 17716 944 1 3 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.212 0.079 17716 945 1 3 . 1 1 47 47 ARG CB C 47 29.692 29.692 30.107 -0.415 17716 946 1 3 . 1 1 47 47 ARG H H 47 8.580 8.580 8.214 0.366 17716 947 1 3 . 1 1 48 48 ASP N N 48 114.579 114.579 115.127 -0.548 17716 948 1 3 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.644 0.065 17716 949 1 3 . 1 1 48 48 ASP C C 48 176.519 176.519 177.010 -0.491 17716 950 1 3 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.017 -0.573 17716 951 1 3 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.037 0.395 17716 952 1 3 . 1 1 48 48 ASP H H 48 7.884 7.884 8.299 -0.415 17716 953 1 3 . 1 1 49 49 GLY N N 49 107.958 107.958 108.571 -0.613 17716 954 1 3 . 1 1 49 49 GLY C C 49 174.547 174.547 174.506 0.041 17716 955 1 3 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.347 -0.083 17716 956 1 3 . 1 1 49 49 GLY H H 49 7.838 7.838 7.554 0.284 17716 957 1 3 . 1 1 50 50 THR N N 50 118.527 118.527 117.694 0.833 17716 958 1 3 . 1 1 50 50 THR HA H 50 4.100 4.100 4.287 -0.187 17716 959 1 3 . 1 1 50 50 THR C C 50 173.339 173.339 173.684 -0.345 17716 960 1 3 . 1 1 50 50 THR CA C 50 63.381 63.381 62.490 0.891 17716 961 1 3 . 1 1 50 50 THR CB C 50 68.781 68.781 69.793 -1.012 17716 962 1 3 . 1 1 50 50 THR H H 50 7.783 7.783 8.369 -0.586 17716 963 1 3 . 1 1 51 51 LYS N N 51 125.284 125.284 129.991 -4.707 17716 964 1 3 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.403 0.668 17716 965 1 3 . 1 1 51 51 LYS C C 51 176.137 176.137 175.963 0.174 17716 966 1 3 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.147 -1.060 17716 967 1 3 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.641 0.683 17716 968 1 3 . 1 1 51 51 LYS H H 51 8.569 8.569 8.656 -0.087 17716 969 1 3 . 1 1 52 52 ILE N N 52 123.781 123.781 123.796 -0.015 17716 970 1 3 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.502 -0.330 17716 971 1 3 . 1 1 52 52 ILE C C 52 174.730 174.730 174.564 0.166 17716 972 1 3 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.735 -0.176 17716 973 1 3 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.281 1.572 17716 974 1 3 . 1 1 52 52 ILE H H 52 8.887 8.887 8.295 0.592 17716 975 1 3 . 1 1 53 53 ILE N N 53 128.421 128.421 125.995 2.426 17716 976 1 3 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.303 -0.222 17716 977 1 3 . 1 1 53 53 ILE C C 53 176.412 176.412 175.540 0.872 17716 978 1 3 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.375 0.101 17716 979 1 3 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.473 -2.042 17716 980 1 3 . 1 1 53 53 ILE H H 53 8.567 8.567 8.591 -0.024 17716 981 1 3 . 1 1 54 54 MET N N 54 126.582 126.582 127.905 -1.323 17716 982 1 3 . 1 1 54 54 MET HA H 54 4.282 4.282 4.267 0.015 17716 983 1 3 . 1 1 54 54 MET C C 54 174.547 174.547 175.517 -0.970 17716 984 1 3 . 1 1 54 54 MET CA C 54 56.424 56.424 55.509 0.915 17716 985 1 3 . 1 1 54 54 MET CB C 54 31.587 31.587 30.494 1.093 17716 986 1 3 . 1 1 54 54 MET H H 54 8.886 8.886 8.886 0.000 17716 987 1 3 . 1 1 55 55 LYS N N 55 106.838 106.838 126.788 -19.950 17716 988 1 3 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.177 0.527 17716 989 1 3 . 1 1 55 55 LYS C C 55 175.051 175.051 178.028 -2.977 17716 990 1 3 . 1 1 55 55 LYS CA C 55 55.431 55.431 59.099 -3.668 17716 991 1 3 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.443 1.750 17716 992 1 3 . 1 1 55 55 LYS H H 55 8.559 8.559 8.523 0.036 17716 993 1 3 . 1 1 56 56 GLY N N 56 113.486 113.486 107.260 6.226 17716 994 1 3 . 1 1 56 56 GLY C C 56 181.029 181.029 174.140 6.889 17716 995 1 3 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.764 -0.303 17716 996 1 3 . 1 1 56 56 GLY H H 56 9.317 9.317 8.627 0.690 17716 997 1 3 . 1 1 57 57 ASN N N 57 112.557 112.557 118.758 -6.201 17716 998 1 3 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.519 0.211 17716 999 1 3 . 1 1 57 57 ASN C C 57 177.023 177.023 176.106 0.917 17716 1000 1 3 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.180 -0.202 17716 1001 1 3 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.929 -1.656 17716 1002 1 3 . 1 1 57 57 ASN H H 57 8.732 8.732 8.507 0.225 17716 1003 1 3 . 1 1 58 58 GLU N N 58 123.440 123.440 119.423 4.017 17716 1004 1 3 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.639 -0.265 17716 1005 1 3 . 1 1 58 58 GLU C C 58 176.244 176.244 177.281 -1.037 17716 1006 1 3 . 1 1 58 58 GLU CA C 58 54.743 54.743 54.629 0.114 17716 1007 1 3 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.417 0.380 17716 1008 1 3 . 1 1 58 58 GLU H H 58 9.124 9.124 8.339 0.785 17716 1009 1 3 . 1 1 59 59 ILE N N 59 120.912 120.912 117.185 3.727 17716 1010 1 3 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.779 -0.152 17716 1011 1 3 . 1 1 59 59 ILE C C 59 177.360 177.360 176.717 0.643 17716 1012 1 3 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.691 1.142 17716 1013 1 3 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.380 0.446 17716 1014 1 3 . 1 1 59 59 ILE H H 59 7.703 7.703 7.559 0.144 17716 1015 1 3 . 1 1 60 60 PHE N N 60 119.669 119.669 119.723 -0.054 17716 1016 1 3 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.350 0.133 17716 1017 1 3 . 1 1 60 60 PHE C C 60 178.889 178.889 177.368 1.521 17716 1018 1 3 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.941 -0.428 17716 1019 1 3 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.409 -0.346 17716 1020 1 3 . 1 1 60 60 PHE H H 60 7.934 7.934 7.740 0.194 17716 1021 1 3 . 1 1 61 61 ARG N N 61 119.587 119.587 117.780 1.807 17716 1022 1 3 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.746 0.291 17716 1023 1 3 . 1 1 61 61 ARG C C 61 180.051 180.051 177.722 2.329 17716 1024 1 3 . 1 1 61 61 ARG CA C 61 58.832 58.832 59.077 -0.245 17716 1025 1 3 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.454 2.143 17716 1026 1 3 . 1 1 61 61 ARG H H 61 8.133 8.133 8.111 0.022 17716 1027 1 3 . 1 1 62 62 LEU N N 62 121.008 121.008 119.241 1.767 17716 1028 1 3 . 1 1 62 62 LEU CA C 62 57.227 57.227 56.490 0.737 17716 1029 1 3 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.411 -1.175 17716 1030 1 3 . 1 1 62 62 LEU H H 62 8.517 8.517 7.793 0.724 17716 1031 1 3 . 1 1 70 70 HIS C C 70 177.253 177.253 174.157 3.096 17716 1032 1 3 . 1 1 71 71 SER N N 71 121.301 121.301 114.676 6.625 17716 1033 1 3 . 1 1 71 71 SER C C 71 173.461 173.461 174.560 -1.099 17716 1034 1 3 . 1 1 71 71 SER CA C 71 58.259 58.259 59.061 -0.802 17716 1035 1 3 . 1 1 71 71 SER H H 71 8.652 8.652 8.696 -0.044 17716 1036 1 3 . 1 1 72 72 GLU N N 72 122.601 122.601 119.994 2.607 17716 1037 1 3 . 1 1 72 72 GLU C C 72 176.916 176.916 176.234 0.682 17716 1038 1 3 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.772 -1.990 17716 1039 1 3 . 1 1 72 72 GLU CB C 72 30.008 30.008 30.440 -0.432 17716 1040 1 3 . 1 1 72 72 GLU H H 72 8.705 8.705 8.045 0.660 17716 1041 1 3 . 1 1 73 73 GLY N N 73 110.370 110.370 106.534 3.836 17716 1042 1 3 . 1 1 73 73 GLY C C 73 173.736 173.736 173.901 -0.165 17716 1043 1 3 . 1 1 73 73 GLY CA C 73 45.264 45.264 44.985 0.279 17716 1044 1 3 . 1 1 73 73 GLY H H 73 8.441 8.441 8.999 -0.558 17716 1045 1 4 . 1 1 2 2 ASP N N 2 117.290 117.290 121.657 -4.367 17716 1046 1 4 . 1 1 2 2 ASP CA C 2 55.038 55.038 53.676 1.361 17716 1047 1 4 . 1 1 2 2 ASP H H 2 8.582 8.582 7.955 0.627 17716 1048 1 4 . 1 1 3 3 MET N N 3 117.021 117.021 121.594 -4.573 17716 1049 1 4 . 1 1 3 3 MET CA C 3 58.045 58.045 56.838 1.207 17716 1050 1 4 . 1 1 3 3 MET H H 3 8.539 8.539 8.452 0.087 17716 1051 1 4 . 1 1 4 4 SER N N 4 121.274 121.274 113.856 7.418 17716 1052 1 4 . 1 1 4 4 SER C C 4 176.458 176.458 174.517 1.941 17716 1053 1 4 . 1 1 4 4 SER CA C 4 59.826 59.826 59.529 0.297 17716 1054 1 4 . 1 1 4 4 SER H H 4 8.699 8.699 8.471 0.228 17716 1055 1 4 . 1 1 5 5 ASN N N 5 115.377 115.377 115.355 0.022 17716 1056 1 4 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.567 -0.353 17716 1057 1 4 . 1 1 5 5 ASN H H 5 8.125 8.125 8.120 0.005 17716 1058 1 4 . 1 1 6 6 VAL N N 6 121.274 121.274 116.526 4.748 17716 1059 1 4 . 1 1 6 6 VAL C C 6 175.755 175.755 176.888 -1.133 17716 1060 1 4 . 1 1 6 6 VAL CA C 6 63.534 63.534 60.148 3.386 17716 1061 1 4 . 1 1 6 6 VAL H H 6 7.572 7.572 7.434 0.138 17716 1062 1 4 . 1 1 7 7 VAL N N 7 125.259 125.259 121.046 4.213 17716 1063 1 4 . 1 1 7 7 VAL HA H 7 4.296 4.296 3.846 0.450 17716 1064 1 4 . 1 1 7 7 VAL C C 7 175.602 175.602 176.093 -0.491 17716 1065 1 4 . 1 1 7 7 VAL CA C 7 63.725 63.725 64.435 -0.710 17716 1066 1 4 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.134 0.650 17716 1067 1 4 . 1 1 7 7 VAL H H 7 8.572 8.572 8.500 0.072 17716 1068 1 4 . 1 1 8 8 LYS N N 8 121.875 121.875 118.267 3.608 17716 1069 1 4 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.241 0.097 17716 1070 1 4 . 1 1 8 8 LYS C C 8 172.743 172.743 174.240 -1.497 17716 1071 1 4 . 1 1 8 8 LYS CA C 8 55.507 55.507 56.254 -0.747 17716 1072 1 4 . 1 1 8 8 LYS CB C 8 36.176 36.176 34.680 1.496 17716 1073 1 4 . 1 1 8 8 LYS H H 8 7.437 7.437 7.671 -0.234 17716 1074 1 4 . 1 1 9 9 THR N N 9 121.187 121.187 119.082 2.105 17716 1075 1 4 . 1 1 9 9 THR HA H 9 5.106 5.106 4.874 0.232 17716 1076 1 4 . 1 1 9 9 THR C C 9 173.660 173.660 173.289 0.371 17716 1077 1 4 . 1 1 9 9 THR CA C 9 61.928 61.928 61.573 0.355 17716 1078 1 4 . 1 1 9 9 THR CB C 9 71.703 71.703 70.202 1.501 17716 1079 1 4 . 1 1 9 9 THR H H 9 8.041 8.041 7.919 0.122 17716 1080 1 4 . 1 1 10 10 TYR N N 10 123.795 123.795 125.436 -1.641 17716 1081 1 4 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.614 0.172 17716 1082 1 4 . 1 1 10 10 TYR C C 10 174.684 174.684 174.938 -0.254 17716 1083 1 4 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.490 -0.142 17716 1084 1 4 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.389 0.884 17716 1085 1 4 . 1 1 10 10 TYR H H 10 9.078 9.078 7.868 1.210 17716 1086 1 4 . 1 1 11 11 ASP N N 11 123.002 123.002 125.812 -2.810 17716 1087 1 4 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.680 0.075 17716 1088 1 4 . 1 1 11 11 ASP C C 11 176.137 176.137 175.538 0.599 17716 1089 1 4 . 1 1 11 11 ASP CA C 11 54.666 54.666 54.820 -0.154 17716 1090 1 4 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.676 1.019 17716 1091 1 4 . 1 1 11 11 ASP H H 11 8.814 8.814 8.985 -0.171 17716 1092 1 4 . 1 1 12 12 LEU N N 12 121.896 121.896 123.235 -1.339 17716 1093 1 4 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.396 0.411 17716 1094 1 4 . 1 1 12 12 LEU C C 12 179.072 179.072 178.619 0.453 17716 1095 1 4 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.488 -1.548 17716 1096 1 4 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.926 -1.942 17716 1097 1 4 . 1 1 12 12 LEU H H 12 8.606 8.606 7.819 0.787 17716 1098 1 4 . 1 1 13 13 GLN N N 13 119.615 119.615 120.200 -0.585 17716 1099 1 4 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.108 -0.131 17716 1100 1 4 . 1 1 13 13 GLN C C 13 175.923 175.923 176.713 -0.790 17716 1101 1 4 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.432 0.056 17716 1102 1 4 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.658 -0.388 17716 1103 1 4 . 1 1 13 13 GLN H H 13 8.360 8.360 8.329 0.031 17716 1104 1 4 . 1 1 14 14 ASP N N 14 115.289 115.289 118.647 -3.358 17716 1105 1 4 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.577 -0.090 17716 1106 1 4 . 1 1 14 14 ASP C C 14 177.161 177.161 176.528 0.633 17716 1107 1 4 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.428 -0.023 17716 1108 1 4 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.171 -0.292 17716 1109 1 4 . 1 1 14 14 ASP H H 14 7.843 7.843 8.108 -0.265 17716 1110 1 4 . 1 1 15 15 GLY N N 15 107.917 107.917 106.660 1.257 17716 1111 1 4 . 1 1 15 15 GLY C C 15 174.333 174.333 173.985 0.348 17716 1112 1 4 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.519 -0.331 17716 1113 1 4 . 1 1 15 15 GLY H H 15 7.799 7.799 7.636 0.163 17716 1114 1 4 . 1 1 16 16 SER N N 16 116.054 116.054 115.929 0.125 17716 1115 1 4 . 1 1 16 16 SER HA H 16 4.405 4.405 4.373 0.032 17716 1116 1 4 . 1 1 16 16 SER C C 16 172.146 172.146 173.403 -1.257 17716 1117 1 4 . 1 1 16 16 SER CA C 16 58.450 58.450 58.604 -0.154 17716 1118 1 4 . 1 1 16 16 SER CB C 16 64.517 64.517 64.103 0.414 17716 1119 1 4 . 1 1 16 16 SER H H 16 7.927 7.927 7.802 0.125 17716 1120 1 4 . 1 1 17 17 LYS N N 17 117.434 117.434 120.730 -3.296 17716 1121 1 4 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.100 0.083 17716 1122 1 4 . 1 1 17 17 LYS C C 17 175.724 175.724 175.393 0.331 17716 1123 1 4 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.358 -0.310 17716 1124 1 4 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.425 1.243 17716 1125 1 4 . 1 1 17 17 LYS H H 17 9.127 9.127 7.875 1.252 17716 1126 1 4 . 1 1 18 18 VAL N N 18 117.543 117.543 122.495 -4.952 17716 1127 1 4 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.853 0.162 17716 1128 1 4 . 1 1 18 18 VAL C C 18 183.445 183.445 175.316 8.129 17716 1129 1 4 . 1 1 18 18 VAL CA C 18 58.679 58.679 60.847 -2.168 17716 1130 1 4 . 1 1 18 18 VAL CB C 18 34.509 34.509 32.793 1.716 17716 1131 1 4 . 1 1 18 18 VAL H H 18 8.580 8.580 8.167 0.413 17716 1132 1 4 . 1 1 19 19 HIS N N 19 128.371 128.371 121.163 7.208 17716 1133 1 4 . 1 1 19 19 HIS HA H 19 5.006 5.006 4.980 0.026 17716 1134 1 4 . 1 1 19 19 HIS C C 19 174.302 174.302 173.029 1.273 17716 1135 1 4 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.355 0.235 17716 1136 1 4 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.098 0.989 17716 1137 1 4 . 1 1 19 19 HIS H H 19 8.901 8.901 8.859 0.042 17716 1138 1 4 . 1 1 20 20 VAL N N 20 123.150 123.150 122.440 0.710 17716 1139 1 4 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.433 0.013 17716 1140 1 4 . 1 1 20 20 VAL C C 20 176.045 176.045 173.741 2.304 17716 1141 1 4 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.217 1.291 17716 1142 1 4 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.818 -1.204 17716 1143 1 4 . 1 1 20 20 VAL H H 20 9.351 9.351 7.675 1.676 17716 1144 1 4 . 1 1 21 21 PHE N N 21 124.942 124.942 124.183 0.759 17716 1145 1 4 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.687 0.199 17716 1146 1 4 . 1 1 21 21 PHE C C 21 178.613 178.613 177.585 1.028 17716 1147 1 4 . 1 1 21 21 PHE CA C 21 58.718 58.718 56.810 1.908 17716 1148 1 4 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.947 0.722 17716 1149 1 4 . 1 1 21 21 PHE H H 21 9.324 9.324 8.756 0.568 17716 1150 1 4 . 1 1 22 22 LYS N N 22 122.104 122.104 120.997 1.107 17716 1151 1 4 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.101 -0.162 17716 1152 1 4 . 1 1 22 22 LYS C C 22 175.969 175.969 176.468 -0.499 17716 1153 1 4 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.695 1.169 17716 1154 1 4 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.079 0.535 17716 1155 1 4 . 1 1 22 22 LYS H H 22 8.411 8.411 8.839 -0.428 17716 1156 1 4 . 1 1 23 23 ASP N N 23 114.797 114.797 117.130 -2.333 17716 1157 1 4 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.608 -0.119 17716 1158 1 4 . 1 1 23 23 ASP C C 23 176.794 176.794 176.788 0.006 17716 1159 1 4 . 1 1 23 23 ASP CA C 23 53.405 53.405 54.228 -0.823 17716 1160 1 4 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.359 -0.717 17716 1161 1 4 . 1 1 23 23 ASP H H 23 8.006 8.006 8.105 -0.099 17716 1162 1 4 . 1 1 24 24 GLY N N 24 109.105 109.105 108.831 0.274 17716 1163 1 4 . 1 1 24 24 GLY C C 24 173.844 173.844 174.126 -0.282 17716 1164 1 4 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.368 -0.372 17716 1165 1 4 . 1 1 24 24 GLY H H 24 8.346 8.346 7.648 0.698 17716 1166 1 4 . 1 1 25 25 LYS N N 25 117.557 117.557 119.991 -2.434 17716 1167 1 4 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.329 0.025 17716 1168 1 4 . 1 1 25 25 LYS C C 25 175.862 175.862 176.544 -0.682 17716 1169 1 4 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.502 -0.324 17716 1170 1 4 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.143 0.497 17716 1171 1 4 . 1 1 25 25 LYS H H 25 7.584 7.584 7.752 -0.168 17716 1172 1 4 . 1 1 26 26 MET N N 26 116.628 116.628 120.284 -3.656 17716 1173 1 4 . 1 1 26 26 MET HA H 26 5.995 5.995 4.492 1.504 17716 1174 1 4 . 1 1 26 26 MET C C 26 175.724 175.724 176.138 -0.414 17716 1175 1 4 . 1 1 26 26 MET CA C 26 55.469 55.469 56.698 -1.229 17716 1176 1 4 . 1 1 26 26 MET CB C 26 36.562 36.562 34.873 1.689 17716 1177 1 4 . 1 1 26 26 MET H H 26 8.599 8.599 8.787 -0.188 17716 1178 1 4 . 1 1 27 27 GLY N N 27 104.570 104.570 105.391 -0.821 17716 1179 1 4 . 1 1 27 27 GLY C C 27 183.552 183.552 172.707 10.845 17716 1180 1 4 . 1 1 27 27 GLY CA C 27 44.461 44.461 45.048 -0.587 17716 1181 1 4 . 1 1 27 27 GLY H H 27 9.063 9.063 8.289 0.774 17716 1182 1 4 . 1 1 28 28 MET N N 28 119.860 119.860 124.716 -4.856 17716 1183 1 4 . 1 1 28 28 MET HA H 28 5.302 5.302 4.678 0.624 17716 1184 1 4 . 1 1 28 28 MET C C 28 173.431 173.431 174.566 -1.135 17716 1185 1 4 . 1 1 28 28 MET CA C 28 52.106 52.106 54.178 -2.072 17716 1186 1 4 . 1 1 28 28 MET CB C 28 31.508 31.508 32.220 -0.712 17716 1187 1 4 . 1 1 28 28 MET H H 28 8.751 8.751 8.998 -0.247 17716 1188 1 4 . 1 1 29 29 GLU N N 29 123.440 123.440 125.594 -2.154 17716 1189 1 4 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.945 0.062 17716 1190 1 4 . 1 1 29 29 GLU C C 29 175.479 175.479 176.158 -0.679 17716 1191 1 4 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.808 -0.709 17716 1192 1 4 . 1 1 29 29 GLU CB C 29 34.430 34.430 29.774 4.656 17716 1193 1 4 . 1 1 29 29 GLU H H 29 8.904 8.904 7.931 0.973 17716 1194 1 4 . 1 1 30 30 ASN N N 30 123.219 123.219 122.913 0.306 17716 1195 1 4 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.687 -0.064 17716 1196 1 4 . 1 1 30 30 ASN C C 30 176.886 176.886 176.667 0.219 17716 1197 1 4 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.951 -1.533 17716 1198 1 4 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.902 -0.734 17716 1199 1 4 . 1 1 30 30 ASN H H 30 9.339 9.339 7.942 1.397 17716 1200 1 4 . 1 1 31 31 LYS N N 31 116.491 116.491 118.291 -1.800 17716 1201 1 4 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.231 -0.289 17716 1202 1 4 . 1 1 31 31 LYS C C 31 175.663 175.663 176.695 -1.032 17716 1203 1 4 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.144 -0.038 17716 1204 1 4 . 1 1 31 31 LYS CB C 31 31.429 31.429 32.054 -0.625 17716 1205 1 4 . 1 1 31 31 LYS H H 31 8.512 8.512 8.617 -0.105 17716 1206 1 4 . 1 1 32 32 PHE N N 32 117.885 117.885 119.223 -1.338 17716 1207 1 4 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.565 0.190 17716 1208 1 4 . 1 1 32 32 PHE C C 32 176.060 176.060 176.096 -0.036 17716 1209 1 4 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.538 -0.961 17716 1210 1 4 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.509 0.343 17716 1211 1 4 . 1 1 32 32 PHE H H 32 7.507 7.507 7.999 -0.492 17716 1212 1 4 . 1 1 33 33 GLY N N 33 108.245 108.245 107.591 0.654 17716 1213 1 4 . 1 1 33 33 GLY C C 33 173.828 173.828 174.008 -0.180 17716 1214 1 4 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.614 0.032 17716 1215 1 4 . 1 1 33 33 GLY H H 33 8.062 8.062 7.661 0.401 17716 1216 1 4 . 1 1 34 34 LYS N N 34 117.724 117.724 119.404 -1.680 17716 1217 1 4 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.736 -0.094 17716 1218 1 4 . 1 1 34 34 LYS C C 34 175.862 175.862 175.549 0.313 17716 1219 1 4 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.353 -1.292 17716 1220 1 4 . 1 1 34 34 LYS CB C 34 34.193 34.193 34.093 0.100 17716 1221 1 4 . 1 1 34 34 LYS H H 34 7.561 7.561 7.902 -0.341 17716 1222 1 4 . 1 1 35 35 SER N N 35 117.079 117.079 115.665 1.414 17716 1223 1 4 . 1 1 35 35 SER HA H 35 5.001 5.001 5.023 -0.022 17716 1224 1 4 . 1 1 35 35 SER C C 35 174.210 174.210 174.328 -0.118 17716 1225 1 4 . 1 1 35 35 SER CA C 35 57.953 57.953 57.510 0.443 17716 1226 1 4 . 1 1 35 35 SER CB C 35 64.043 64.043 64.180 -0.137 17716 1227 1 4 . 1 1 35 35 SER H H 35 8.588 8.588 8.416 0.172 17716 1228 1 4 . 1 1 36 36 MET N N 36 117.966 117.966 124.241 -6.275 17716 1229 1 4 . 1 1 36 36 MET HA H 36 4.765 4.765 4.529 0.236 17716 1230 1 4 . 1 1 36 36 MET C C 36 173.461 173.461 175.324 -1.863 17716 1231 1 4 . 1 1 36 36 MET CA C 36 54.055 54.055 53.533 0.522 17716 1232 1 4 . 1 1 36 36 MET CB C 36 36.009 36.009 32.773 3.236 17716 1233 1 4 . 1 1 36 36 MET H H 36 8.044 8.044 8.196 -0.152 17716 1234 1 4 . 1 1 37 37 ASN N N 37 122.101 122.101 124.714 -2.613 17716 1235 1 4 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.627 0.068 17716 1236 1 4 . 1 1 37 37 ASN C C 37 175.770 175.770 174.681 1.089 17716 1237 1 4 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.460 0.557 17716 1238 1 4 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.772 2.212 17716 1239 1 4 . 1 1 37 37 ASN H H 37 8.753 8.753 8.806 -0.053 17716 1240 1 4 . 1 1 38 38 MET N N 38 122.627 122.627 127.231 -4.604 17716 1241 1 4 . 1 1 38 38 MET HA H 38 4.623 4.623 4.842 -0.219 17716 1242 1 4 . 1 1 38 38 MET CA C 38 54.093 54.093 52.750 1.343 17716 1243 1 4 . 1 1 38 38 MET CB C 38 38.708 38.708 33.984 4.724 17716 1244 1 4 . 1 1 38 38 MET H H 38 8.133 8.133 7.964 0.169 17716 1245 1 4 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.303 -0.023 17716 1246 1 4 . 1 1 39 39 PRO C C 39 175.831 175.831 176.508 -0.677 17716 1247 1 4 . 1 1 39 39 PRO CA C 39 62.654 62.654 63.196 -0.542 17716 1248 1 4 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.337 0.119 17716 1249 1 4 . 1 1 40 40 GLU N N 40 120.437 120.437 122.737 -2.300 17716 1250 1 4 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.344 -0.648 17716 1251 1 4 . 1 1 40 40 GLU C C 40 177.757 177.757 176.944 0.813 17716 1252 1 4 . 1 1 40 40 GLU CA C 40 57.800 57.800 56.329 1.471 17716 1253 1 4 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.842 1.166 17716 1254 1 4 . 1 1 40 40 GLU H H 40 8.322 8.322 8.655 -0.333 17716 1255 1 4 . 1 1 41 41 GLY N N 41 112.092 112.092 114.094 -2.002 17716 1256 1 4 . 1 1 41 41 GLY C C 41 173.935 173.935 174.365 -0.430 17716 1257 1 4 . 1 1 41 41 GLY CA C 41 44.805 44.805 45.211 -0.406 17716 1258 1 4 . 1 1 41 41 GLY H H 41 9.188 9.188 8.336 0.852 17716 1259 1 4 . 1 1 42 42 LYS N N 42 120.325 120.325 123.497 -3.172 17716 1260 1 4 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.304 -0.056 17716 1261 1 4 . 1 1 42 42 LYS C C 42 175.755 175.755 176.461 -0.706 17716 1262 1 4 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.758 -0.060 17716 1263 1 4 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.203 1.648 17716 1264 1 4 . 1 1 42 42 LYS H H 42 6.967 6.967 7.687 -0.720 17716 1265 1 4 . 1 1 43 43 VAL N N 43 124.724 124.724 123.241 1.483 17716 1266 1 4 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.666 0.311 17716 1267 1 4 . 1 1 43 43 VAL C C 43 175.770 175.770 175.685 0.085 17716 1268 1 4 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.233 -0.623 17716 1269 1 4 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.743 0.239 17716 1270 1 4 . 1 1 43 43 VAL H H 43 8.572 8.572 8.169 0.403 17716 1271 1 4 . 1 1 44 44 MET N N 44 127.278 127.278 126.768 0.510 17716 1272 1 4 . 1 1 44 44 MET HA H 44 4.545 4.545 4.767 -0.222 17716 1273 1 4 . 1 1 44 44 MET C C 44 173.522 173.522 174.484 -0.962 17716 1274 1 4 . 1 1 44 44 MET CA C 44 53.558 53.558 54.497 -0.939 17716 1275 1 4 . 1 1 44 44 MET CB C 44 34.351 34.351 35.428 -1.077 17716 1276 1 4 . 1 1 44 44 MET H H 44 8.963 8.963 8.790 0.173 17716 1277 1 4 . 1 1 45 45 GLU N N 45 122.374 122.374 123.875 -1.501 17716 1278 1 4 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.230 -0.121 17716 1279 1 4 . 1 1 45 45 GLU C C 45 176.320 176.320 176.434 -0.114 17716 1280 1 4 . 1 1 45 45 GLU CA C 45 54.743 54.743 54.007 0.736 17716 1281 1 4 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.209 -0.227 17716 1282 1 4 . 1 1 45 45 GLU H H 45 8.668 8.668 8.918 -0.250 17716 1283 1 4 . 1 1 46 46 THR N N 46 116.696 116.696 117.084 -0.388 17716 1284 1 4 . 1 1 46 46 THR HA H 46 4.757 4.757 4.962 -0.205 17716 1285 1 4 . 1 1 46 46 THR C C 46 176.657 176.657 176.794 -0.137 17716 1286 1 4 . 1 1 46 46 THR CA C 46 61.317 61.317 61.075 0.242 17716 1287 1 4 . 1 1 46 46 THR CB C 46 70.203 70.203 70.401 -0.198 17716 1288 1 4 . 1 1 46 46 THR H H 46 9.083 9.083 8.342 0.741 17716 1289 1 4 . 1 1 47 47 ARG N N 47 119.546 119.546 121.267 -1.721 17716 1290 1 4 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.132 -0.116 17716 1291 1 4 . 1 1 47 47 ARG C C 47 176.519 176.519 177.719 -1.200 17716 1292 1 4 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.221 0.070 17716 1293 1 4 . 1 1 47 47 ARG CB C 47 29.692 29.692 30.125 -0.433 17716 1294 1 4 . 1 1 47 47 ARG H H 47 8.580 8.580 8.466 0.114 17716 1295 1 4 . 1 1 48 48 ASP N N 48 114.579 114.579 115.492 -0.913 17716 1296 1 4 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.610 0.099 17716 1297 1 4 . 1 1 48 48 ASP C C 48 176.519 176.519 176.851 -0.332 17716 1298 1 4 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.201 -0.758 17716 1299 1 4 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.345 0.087 17716 1300 1 4 . 1 1 48 48 ASP H H 48 7.884 7.884 8.368 -0.484 17716 1301 1 4 . 1 1 49 49 GLY N N 49 107.958 107.958 108.930 -0.972 17716 1302 1 4 . 1 1 49 49 GLY C C 49 174.547 174.547 174.201 0.346 17716 1303 1 4 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.290 -0.026 17716 1304 1 4 . 1 1 49 49 GLY H H 49 7.838 7.838 7.622 0.216 17716 1305 1 4 . 1 1 50 50 THR N N 50 118.527 118.527 117.407 1.120 17716 1306 1 4 . 1 1 50 50 THR HA H 50 4.100 4.100 4.341 -0.241 17716 1307 1 4 . 1 1 50 50 THR C C 50 173.339 173.339 173.416 -0.077 17716 1308 1 4 . 1 1 50 50 THR CA C 50 63.381 63.381 61.941 1.440 17716 1309 1 4 . 1 1 50 50 THR CB C 50 68.781 68.781 70.015 -1.234 17716 1310 1 4 . 1 1 50 50 THR H H 50 7.783 7.783 8.097 -0.314 17716 1311 1 4 . 1 1 51 51 LYS N N 51 125.284 125.284 130.252 -4.968 17716 1312 1 4 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.449 0.622 17716 1313 1 4 . 1 1 51 51 LYS C C 51 176.137 176.137 175.913 0.224 17716 1314 1 4 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.300 -1.213 17716 1315 1 4 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.620 0.704 17716 1316 1 4 . 1 1 51 51 LYS H H 51 8.569 8.569 8.674 -0.105 17716 1317 1 4 . 1 1 52 52 ILE N N 52 123.781 123.781 124.372 -0.591 17716 1318 1 4 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.489 -0.317 17716 1319 1 4 . 1 1 52 52 ILE C C 52 174.730 174.730 174.583 0.147 17716 1320 1 4 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.544 0.015 17716 1321 1 4 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.138 1.716 17716 1322 1 4 . 1 1 52 52 ILE H H 52 8.887 8.887 8.805 0.082 17716 1323 1 4 . 1 1 53 53 ILE N N 53 128.421 128.421 125.222 3.199 17716 1324 1 4 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.257 -0.176 17716 1325 1 4 . 1 1 53 53 ILE C C 53 176.412 176.412 176.128 0.284 17716 1326 1 4 . 1 1 53 53 ILE CA C 53 60.476 60.476 59.641 0.835 17716 1327 1 4 . 1 1 53 53 ILE CB C 53 37.431 37.431 38.666 -1.235 17716 1328 1 4 . 1 1 53 53 ILE H H 53 8.567 8.567 8.532 0.035 17716 1329 1 4 . 1 1 54 54 MET N N 54 126.582 126.582 126.863 -0.281 17716 1330 1 4 . 1 1 54 54 MET HA H 54 4.282 4.282 4.329 -0.047 17716 1331 1 4 . 1 1 54 54 MET C C 54 174.547 174.547 175.715 -1.168 17716 1332 1 4 . 1 1 54 54 MET CA C 54 56.424 56.424 54.921 1.503 17716 1333 1 4 . 1 1 54 54 MET CB C 54 31.587 31.587 30.325 1.262 17716 1334 1 4 . 1 1 54 54 MET H H 54 8.886 8.886 8.839 0.047 17716 1335 1 4 . 1 1 55 55 LYS N N 55 106.838 106.838 126.729 -19.891 17716 1336 1 4 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.219 0.485 17716 1337 1 4 . 1 1 55 55 LYS C C 55 175.051 175.051 178.679 -3.628 17716 1338 1 4 . 1 1 55 55 LYS CA C 55 55.431 55.431 59.277 -3.846 17716 1339 1 4 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.560 1.633 17716 1340 1 4 . 1 1 55 55 LYS H H 55 8.559 8.559 8.475 0.084 17716 1341 1 4 . 1 1 56 56 GLY N N 56 113.486 113.486 107.348 6.138 17716 1342 1 4 . 1 1 56 56 GLY C C 56 181.029 181.029 174.339 6.690 17716 1343 1 4 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.603 -0.142 17716 1344 1 4 . 1 1 56 56 GLY H H 56 9.317 9.317 8.711 0.606 17716 1345 1 4 . 1 1 57 57 ASN N N 57 112.557 112.557 118.691 -6.134 17716 1346 1 4 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.501 0.229 17716 1347 1 4 . 1 1 57 57 ASN C C 57 177.023 177.023 176.222 0.801 17716 1348 1 4 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.980 -1.002 17716 1349 1 4 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.823 -1.550 17716 1350 1 4 . 1 1 57 57 ASN H H 57 8.732 8.732 8.397 0.335 17716 1351 1 4 . 1 1 58 58 GLU N N 58 123.440 123.440 120.659 2.781 17716 1352 1 4 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.364 0.010 17716 1353 1 4 . 1 1 58 58 GLU C C 58 176.244 176.244 177.196 -0.952 17716 1354 1 4 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.336 -0.593 17716 1355 1 4 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.336 0.461 17716 1356 1 4 . 1 1 58 58 GLU H H 58 9.124 9.124 8.409 0.715 17716 1357 1 4 . 1 1 59 59 ILE N N 59 120.912 120.912 118.108 2.804 17716 1358 1 4 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.883 -0.256 17716 1359 1 4 . 1 1 59 59 ILE C C 59 177.360 177.360 176.925 0.435 17716 1360 1 4 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.971 0.862 17716 1361 1 4 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.381 0.445 17716 1362 1 4 . 1 1 59 59 ILE H H 59 7.703 7.703 7.934 -0.231 17716 1363 1 4 . 1 1 60 60 PHE N N 60 119.669 119.669 121.355 -1.686 17716 1364 1 4 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.576 -0.093 17716 1365 1 4 . 1 1 60 60 PHE C C 60 178.889 178.889 176.134 2.755 17716 1366 1 4 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.484 0.030 17716 1367 1 4 . 1 1 60 60 PHE CB C 60 38.063 38.063 39.076 -1.013 17716 1368 1 4 . 1 1 60 60 PHE H H 60 7.934 7.934 8.122 -0.188 17716 1369 1 4 . 1 1 61 61 ARG N N 61 119.587 119.587 117.706 1.881 17716 1370 1 4 . 1 1 61 61 ARG HA H 61 4.037 4.037 4.057 -0.020 17716 1371 1 4 . 1 1 61 61 ARG C C 61 180.051 180.051 178.013 2.038 17716 1372 1 4 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.250 0.582 17716 1373 1 4 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.491 2.106 17716 1374 1 4 . 1 1 61 61 ARG H H 61 8.133 8.133 7.843 0.290 17716 1375 1 4 . 1 1 62 62 LEU N N 62 121.008 121.008 118.085 2.923 17716 1376 1 4 . 1 1 62 62 LEU CA C 62 57.227 57.227 56.782 0.445 17716 1377 1 4 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.316 -1.080 17716 1378 1 4 . 1 1 62 62 LEU H H 62 8.517 8.517 7.875 0.642 17716 1379 1 4 . 1 1 70 70 HIS C C 70 177.253 177.253 173.600 3.653 17716 1380 1 4 . 1 1 71 71 SER N N 71 121.301 121.301 115.545 5.756 17716 1381 1 4 . 1 1 71 71 SER C C 71 173.461 173.461 174.268 -0.807 17716 1382 1 4 . 1 1 71 71 SER CA C 71 58.259 58.259 59.308 -1.049 17716 1383 1 4 . 1 1 71 71 SER H H 71 8.652 8.652 8.648 0.004 17716 1384 1 4 . 1 1 72 72 GLU N N 72 122.601 122.601 121.945 0.656 17716 1385 1 4 . 1 1 72 72 GLU C C 72 176.916 176.916 175.917 0.999 17716 1386 1 4 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.819 -2.038 17716 1387 1 4 . 1 1 72 72 GLU CB C 72 30.008 30.008 30.306 -0.298 17716 1388 1 4 . 1 1 72 72 GLU H H 72 8.705 8.705 8.307 0.398 17716 1389 1 4 . 1 1 73 73 GLY N N 73 110.370 110.370 109.483 0.887 17716 1390 1 4 . 1 1 73 73 GLY C C 73 173.736 173.736 174.905 -1.169 17716 1391 1 4 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.649 -0.385 17716 1392 1 4 . 1 1 73 73 GLY H H 73 8.441 8.441 8.253 0.188 17716 1393 1 5 . 1 1 2 2 ASP N N 2 117.290 117.290 120.023 -2.733 17716 1394 1 5 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.923 0.115 17716 1395 1 5 . 1 1 2 2 ASP H H 2 8.582 8.582 8.456 0.126 17716 1396 1 5 . 1 1 3 3 MET N N 3 117.021 117.021 120.986 -3.965 17716 1397 1 5 . 1 1 3 3 MET CA C 3 58.045 58.045 58.018 0.027 17716 1398 1 5 . 1 1 3 3 MET H H 3 8.539 8.539 8.596 -0.057 17716 1399 1 5 . 1 1 4 4 SER N N 4 121.274 121.274 114.264 7.010 17716 1400 1 5 . 1 1 4 4 SER C C 4 176.458 176.458 174.768 1.690 17716 1401 1 5 . 1 1 4 4 SER CA C 4 59.826 59.826 60.066 -0.239 17716 1402 1 5 . 1 1 4 4 SER H H 4 8.699 8.699 8.013 0.686 17716 1403 1 5 . 1 1 5 5 ASN N N 5 115.377 115.377 115.385 -0.008 17716 1404 1 5 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.663 -0.449 17716 1405 1 5 . 1 1 5 5 ASN H H 5 8.125 8.125 8.423 -0.298 17716 1406 1 5 . 1 1 6 6 VAL N N 6 121.274 121.274 115.404 5.870 17716 1407 1 5 . 1 1 6 6 VAL C C 6 175.755 175.755 175.643 0.112 17716 1408 1 5 . 1 1 6 6 VAL CA C 6 63.534 63.534 63.392 0.141 17716 1409 1 5 . 1 1 6 6 VAL H H 6 7.572 7.572 7.633 -0.061 17716 1410 1 5 . 1 1 7 7 VAL N N 7 125.259 125.259 117.531 7.728 17716 1411 1 5 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.489 -0.193 17716 1412 1 5 . 1 1 7 7 VAL C C 7 175.602 175.602 174.462 1.140 17716 1413 1 5 . 1 1 7 7 VAL CA C 7 63.725 63.725 60.678 3.046 17716 1414 1 5 . 1 1 7 7 VAL CB C 7 32.784 32.784 33.966 -1.182 17716 1415 1 5 . 1 1 7 7 VAL H H 7 8.572 8.572 8.113 0.459 17716 1416 1 5 . 1 1 8 8 LYS N N 8 121.875 121.875 122.745 -0.870 17716 1417 1 5 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.397 -0.059 17716 1418 1 5 . 1 1 8 8 LYS C C 8 172.743 172.743 174.449 -1.706 17716 1419 1 5 . 1 1 8 8 LYS CA C 8 55.507 55.507 56.487 -0.980 17716 1420 1 5 . 1 1 8 8 LYS CB C 8 36.176 36.176 34.799 1.377 17716 1421 1 5 . 1 1 8 8 LYS H H 8 7.437 7.437 8.446 -1.009 17716 1422 1 5 . 1 1 9 9 THR N N 9 121.187 121.187 120.514 0.673 17716 1423 1 5 . 1 1 9 9 THR HA H 9 5.106 5.106 4.926 0.180 17716 1424 1 5 . 1 1 9 9 THR C C 9 173.660 173.660 173.051 0.609 17716 1425 1 5 . 1 1 9 9 THR CA C 9 61.928 61.928 61.748 0.180 17716 1426 1 5 . 1 1 9 9 THR CB C 9 71.703 71.703 70.107 1.596 17716 1427 1 5 . 1 1 9 9 THR H H 9 8.041 8.041 7.919 0.122 17716 1428 1 5 . 1 1 10 10 TYR N N 10 123.795 123.795 126.302 -2.507 17716 1429 1 5 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.598 0.188 17716 1430 1 5 . 1 1 10 10 TYR C C 10 174.684 174.684 174.999 -0.315 17716 1431 1 5 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.968 -0.620 17716 1432 1 5 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.167 1.107 17716 1433 1 5 . 1 1 10 10 TYR H H 10 9.078 9.078 8.184 0.894 17716 1434 1 5 . 1 1 11 11 ASP N N 11 123.002 123.002 126.316 -3.314 17716 1435 1 5 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.573 0.182 17716 1436 1 5 . 1 1 11 11 ASP C C 11 176.137 176.137 175.847 0.290 17716 1437 1 5 . 1 1 11 11 ASP CA C 11 54.666 54.666 54.711 -0.045 17716 1438 1 5 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.040 1.655 17716 1439 1 5 . 1 1 11 11 ASP H H 11 8.814 8.814 8.879 -0.065 17716 1440 1 5 . 1 1 12 12 LEU N N 12 121.896 121.896 122.204 -0.308 17716 1441 1 5 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.401 0.406 17716 1442 1 5 . 1 1 12 12 LEU C C 12 179.072 179.072 178.845 0.227 17716 1443 1 5 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.995 -2.055 17716 1444 1 5 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.748 -1.764 17716 1445 1 5 . 1 1 12 12 LEU H H 12 8.606 8.606 8.098 0.508 17716 1446 1 5 . 1 1 13 13 GLN N N 13 119.615 119.615 121.232 -1.617 17716 1447 1 5 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.156 -0.179 17716 1448 1 5 . 1 1 13 13 GLN C C 13 175.923 175.923 176.678 -0.755 17716 1449 1 5 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.368 0.120 17716 1450 1 5 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.703 -0.433 17716 1451 1 5 . 1 1 13 13 GLN H H 13 8.360 8.360 8.644 -0.284 17716 1452 1 5 . 1 1 14 14 ASP N N 14 115.289 115.289 119.640 -4.351 17716 1453 1 5 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.611 -0.124 17716 1454 1 5 . 1 1 14 14 ASP C C 14 177.161 177.161 176.511 0.650 17716 1455 1 5 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.412 -0.007 17716 1456 1 5 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.500 -0.621 17716 1457 1 5 . 1 1 14 14 ASP H H 14 7.843 7.843 8.171 -0.328 17716 1458 1 5 . 1 1 15 15 GLY N N 15 107.917 107.917 106.641 1.276 17716 1459 1 5 . 1 1 15 15 GLY C C 15 174.333 174.333 174.302 0.031 17716 1460 1 5 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.711 -0.523 17716 1461 1 5 . 1 1 15 15 GLY H H 15 7.799 7.799 7.716 0.083 17716 1462 1 5 . 1 1 16 16 SER N N 16 116.054 116.054 115.014 1.040 17716 1463 1 5 . 1 1 16 16 SER HA H 16 4.405 4.405 4.584 -0.179 17716 1464 1 5 . 1 1 16 16 SER C C 16 172.146 172.146 173.584 -1.438 17716 1465 1 5 . 1 1 16 16 SER CA C 16 58.450 58.450 58.106 0.344 17716 1466 1 5 . 1 1 16 16 SER CB C 16 64.517 64.517 64.336 0.181 17716 1467 1 5 . 1 1 16 16 SER H H 16 7.927 7.927 7.691 0.236 17716 1468 1 5 . 1 1 17 17 LYS N N 17 117.434 117.434 119.931 -2.497 17716 1469 1 5 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.018 0.165 17716 1470 1 5 . 1 1 17 17 LYS C C 17 175.724 175.724 175.633 0.091 17716 1471 1 5 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.678 -0.629 17716 1472 1 5 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.515 1.153 17716 1473 1 5 . 1 1 17 17 LYS H H 17 9.127 9.127 7.792 1.335 17716 1474 1 5 . 1 1 18 18 VAL N N 18 117.543 117.543 123.282 -5.739 17716 1475 1 5 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.687 0.328 17716 1476 1 5 . 1 1 18 18 VAL C C 18 183.445 183.445 175.089 8.356 17716 1477 1 5 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.759 -3.080 17716 1478 1 5 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.208 1.301 17716 1479 1 5 . 1 1 18 18 VAL H H 18 8.580 8.580 8.126 0.454 17716 1480 1 5 . 1 1 19 19 HIS N N 19 128.371 128.371 122.998 5.373 17716 1481 1 5 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.056 -0.050 17716 1482 1 5 . 1 1 19 19 HIS C C 19 174.302 174.302 173.153 1.149 17716 1483 1 5 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.561 0.029 17716 1484 1 5 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.286 0.801 17716 1485 1 5 . 1 1 19 19 HIS H H 19 8.901 8.901 8.770 0.131 17716 1486 1 5 . 1 1 20 20 VAL N N 20 123.150 123.150 122.376 0.774 17716 1487 1 5 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.392 0.054 17716 1488 1 5 . 1 1 20 20 VAL C C 20 176.045 176.045 173.279 2.766 17716 1489 1 5 . 1 1 20 20 VAL CA C 20 61.508 61.508 59.698 1.810 17716 1490 1 5 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.328 -0.714 17716 1491 1 5 . 1 1 20 20 VAL H H 20 9.351 9.351 7.721 1.630 17716 1492 1 5 . 1 1 21 21 PHE N N 21 124.942 124.942 121.970 2.972 17716 1493 1 5 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.603 0.283 17716 1494 1 5 . 1 1 21 21 PHE C C 21 178.613 178.613 177.663 0.950 17716 1495 1 5 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.078 1.640 17716 1496 1 5 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.032 0.637 17716 1497 1 5 . 1 1 21 21 PHE H H 21 9.324 9.324 8.513 0.811 17716 1498 1 5 . 1 1 22 22 LYS N N 22 122.104 122.104 120.585 1.519 17716 1499 1 5 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.151 -0.212 17716 1500 1 5 . 1 1 22 22 LYS C C 22 175.969 175.969 176.916 -0.947 17716 1501 1 5 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.700 1.164 17716 1502 1 5 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.302 0.312 17716 1503 1 5 . 1 1 22 22 LYS H H 22 8.411 8.411 8.751 -0.340 17716 1504 1 5 . 1 1 23 23 ASP N N 23 114.797 114.797 117.390 -2.593 17716 1505 1 5 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.584 -0.095 17716 1506 1 5 . 1 1 23 23 ASP C C 23 176.794 176.794 176.072 0.722 17716 1507 1 5 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.072 0.333 17716 1508 1 5 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.180 -0.538 17716 1509 1 5 . 1 1 23 23 ASP H H 23 8.006 8.006 8.011 -0.005 17716 1510 1 5 . 1 1 24 24 GLY N N 24 109.105 109.105 107.877 1.228 17716 1511 1 5 . 1 1 24 24 GLY C C 24 173.844 173.844 174.662 -0.818 17716 1512 1 5 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.856 -0.860 17716 1513 1 5 . 1 1 24 24 GLY H H 24 8.346 8.346 7.502 0.844 17716 1514 1 5 . 1 1 25 25 LYS N N 25 117.557 117.557 120.159 -2.602 17716 1515 1 5 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.236 0.118 17716 1516 1 5 . 1 1 25 25 LYS C C 25 175.862 175.862 176.880 -1.018 17716 1517 1 5 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.655 -0.477 17716 1518 1 5 . 1 1 25 25 LYS CB C 25 33.640 33.640 32.984 0.656 17716 1519 1 5 . 1 1 25 25 LYS H H 25 7.584 7.584 7.941 -0.357 17716 1520 1 5 . 1 1 26 26 MET N N 26 116.628 116.628 120.479 -3.851 17716 1521 1 5 . 1 1 26 26 MET HA H 26 5.995 5.995 4.427 1.568 17716 1522 1 5 . 1 1 26 26 MET C C 26 175.724 175.724 176.044 -0.320 17716 1523 1 5 . 1 1 26 26 MET CA C 26 55.469 55.469 56.337 -0.868 17716 1524 1 5 . 1 1 26 26 MET CB C 26 36.562 36.562 34.944 1.619 17716 1525 1 5 . 1 1 26 26 MET H H 26 8.599 8.599 8.683 -0.084 17716 1526 1 5 . 1 1 27 27 GLY N N 27 104.570 104.570 105.618 -1.048 17716 1527 1 5 . 1 1 27 27 GLY C C 27 183.552 183.552 172.731 10.821 17716 1528 1 5 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.830 -0.369 17716 1529 1 5 . 1 1 27 27 GLY H H 27 9.063 9.063 8.198 0.865 17716 1530 1 5 . 1 1 28 28 MET N N 28 119.860 119.860 124.713 -4.853 17716 1531 1 5 . 1 1 28 28 MET HA H 28 5.302 5.302 4.650 0.652 17716 1532 1 5 . 1 1 28 28 MET C C 28 173.431 173.431 174.225 -0.794 17716 1533 1 5 . 1 1 28 28 MET CA C 28 52.106 52.106 53.961 -1.855 17716 1534 1 5 . 1 1 28 28 MET CB C 28 31.508 31.508 32.812 -1.304 17716 1535 1 5 . 1 1 28 28 MET H H 28 8.751 8.751 8.938 -0.187 17716 1536 1 5 . 1 1 29 29 GLU N N 29 123.440 123.440 126.687 -3.247 17716 1537 1 5 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.845 0.162 17716 1538 1 5 . 1 1 29 29 GLU C C 29 175.479 175.479 176.141 -0.662 17716 1539 1 5 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.315 -0.216 17716 1540 1 5 . 1 1 29 29 GLU CB C 29 34.430 34.430 31.550 2.880 17716 1541 1 5 . 1 1 29 29 GLU H H 29 8.904 8.904 7.990 0.914 17716 1542 1 5 . 1 1 30 30 ASN N N 30 123.219 123.219 126.168 -2.949 17716 1543 1 5 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.557 0.066 17716 1544 1 5 . 1 1 30 30 ASN C C 30 176.886 176.886 176.183 0.703 17716 1545 1 5 . 1 1 30 30 ASN CA C 30 51.418 51.418 54.151 -2.733 17716 1546 1 5 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.366 -0.198 17716 1547 1 5 . 1 1 30 30 ASN H H 30 9.339 9.339 8.823 0.516 17716 1548 1 5 . 1 1 31 31 LYS N N 31 116.491 116.491 119.576 -3.085 17716 1549 1 5 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.207 -0.265 17716 1550 1 5 . 1 1 31 31 LYS C C 31 175.663 175.663 176.494 -0.831 17716 1551 1 5 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.152 -0.046 17716 1552 1 5 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.604 -0.175 17716 1553 1 5 . 1 1 31 31 LYS H H 31 8.512 8.512 8.619 -0.107 17716 1554 1 5 . 1 1 32 32 PHE N N 32 117.885 117.885 120.110 -2.225 17716 1555 1 5 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.532 0.223 17716 1556 1 5 . 1 1 32 32 PHE C C 32 176.060 176.060 175.789 0.271 17716 1557 1 5 . 1 1 32 32 PHE CA C 32 56.577 56.577 56.941 -0.363 17716 1558 1 5 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.739 0.113 17716 1559 1 5 . 1 1 32 32 PHE H H 32 7.507 7.507 8.119 -0.612 17716 1560 1 5 . 1 1 33 33 GLY N N 33 108.245 108.245 107.254 0.991 17716 1561 1 5 . 1 1 33 33 GLY C C 33 173.828 173.828 173.708 0.120 17716 1562 1 5 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.527 0.119 17716 1563 1 5 . 1 1 33 33 GLY H H 33 8.062 8.062 7.560 0.502 17716 1564 1 5 . 1 1 34 34 LYS N N 34 117.724 117.724 120.659 -2.935 17716 1565 1 5 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.365 0.277 17716 1566 1 5 . 1 1 34 34 LYS C C 34 175.862 175.862 175.943 -0.081 17716 1567 1 5 . 1 1 34 34 LYS CA C 34 53.061 53.061 55.746 -2.685 17716 1568 1 5 . 1 1 34 34 LYS CB C 34 34.193 34.193 33.730 0.463 17716 1569 1 5 . 1 1 34 34 LYS H H 34 7.561 7.561 7.850 -0.289 17716 1570 1 5 . 1 1 35 35 SER N N 35 117.079 117.079 122.078 -4.999 17716 1571 1 5 . 1 1 35 35 SER HA H 35 5.001 5.001 4.836 0.165 17716 1572 1 5 . 1 1 35 35 SER C C 35 174.210 174.210 174.683 -0.473 17716 1573 1 5 . 1 1 35 35 SER CA C 35 57.953 57.953 58.512 -0.559 17716 1574 1 5 . 1 1 35 35 SER CB C 35 64.043 64.043 63.378 0.665 17716 1575 1 5 . 1 1 35 35 SER H H 35 8.588 8.588 8.742 -0.154 17716 1576 1 5 . 1 1 36 36 MET N N 36 117.966 117.966 127.503 -9.537 17716 1577 1 5 . 1 1 36 36 MET HA H 36 4.765 4.765 4.471 0.294 17716 1578 1 5 . 1 1 36 36 MET C C 36 173.461 173.461 175.223 -1.762 17716 1579 1 5 . 1 1 36 36 MET CA C 36 54.055 54.055 54.702 -0.647 17716 1580 1 5 . 1 1 36 36 MET CB C 36 36.009 36.009 33.626 2.383 17716 1581 1 5 . 1 1 36 36 MET H H 36 8.044 8.044 8.323 -0.279 17716 1582 1 5 . 1 1 37 37 ASN N N 37 122.101 122.101 124.276 -2.175 17716 1583 1 5 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.614 0.081 17716 1584 1 5 . 1 1 37 37 ASN C C 37 175.770 175.770 174.682 1.088 17716 1585 1 5 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.813 0.204 17716 1586 1 5 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.783 2.201 17716 1587 1 5 . 1 1 37 37 ASN H H 37 8.753 8.753 8.772 -0.019 17716 1588 1 5 . 1 1 38 38 MET N N 38 122.627 122.627 127.247 -4.620 17716 1589 1 5 . 1 1 38 38 MET HA H 38 4.623 4.623 4.921 -0.298 17716 1590 1 5 . 1 1 38 38 MET CA C 38 54.093 54.093 52.466 1.627 17716 1591 1 5 . 1 1 38 38 MET CB C 38 38.708 38.708 34.691 4.017 17716 1592 1 5 . 1 1 38 38 MET H H 38 8.133 8.133 8.081 0.052 17716 1593 1 5 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.457 -0.177 17716 1594 1 5 . 1 1 39 39 PRO C C 39 175.831 175.831 176.247 -0.416 17716 1595 1 5 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.258 0.396 17716 1596 1 5 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.724 -0.268 17716 1597 1 5 . 1 1 40 40 GLU N N 40 120.437 120.437 121.902 -1.465 17716 1598 1 5 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.249 -0.553 17716 1599 1 5 . 1 1 40 40 GLU C C 40 177.757 177.757 176.951 0.806 17716 1600 1 5 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.009 0.791 17716 1601 1 5 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.983 1.025 17716 1602 1 5 . 1 1 40 40 GLU H H 40 8.322 8.322 8.732 -0.410 17716 1603 1 5 . 1 1 41 41 GLY N N 41 112.092 112.092 114.789 -2.697 17716 1604 1 5 . 1 1 41 41 GLY C C 41 173.935 173.935 174.313 -0.378 17716 1605 1 5 . 1 1 41 41 GLY CA C 41 44.805 44.805 45.099 -0.294 17716 1606 1 5 . 1 1 41 41 GLY H H 41 9.188 9.188 8.356 0.832 17716 1607 1 5 . 1 1 42 42 LYS N N 42 120.325 120.325 124.197 -3.872 17716 1608 1 5 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.294 -0.046 17716 1609 1 5 . 1 1 42 42 LYS C C 42 175.755 175.755 176.634 -0.879 17716 1610 1 5 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.730 -0.031 17716 1611 1 5 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.394 1.457 17716 1612 1 5 . 1 1 42 42 LYS H H 42 6.967 6.967 7.704 -0.737 17716 1613 1 5 . 1 1 43 43 VAL N N 43 124.724 124.724 123.886 0.838 17716 1614 1 5 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.699 0.278 17716 1615 1 5 . 1 1 43 43 VAL C C 43 175.770 175.770 176.045 -0.275 17716 1616 1 5 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.469 -0.859 17716 1617 1 5 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.505 0.478 17716 1618 1 5 . 1 1 43 43 VAL H H 43 8.572 8.572 8.108 0.464 17716 1619 1 5 . 1 1 44 44 MET N N 44 127.278 127.278 128.235 -0.957 17716 1620 1 5 . 1 1 44 44 MET HA H 44 4.545 4.545 4.719 -0.174 17716 1621 1 5 . 1 1 44 44 MET C C 44 173.522 173.522 175.019 -1.497 17716 1622 1 5 . 1 1 44 44 MET CA C 44 53.558 53.558 54.746 -1.188 17716 1623 1 5 . 1 1 44 44 MET CB C 44 34.351 34.351 35.365 -1.014 17716 1624 1 5 . 1 1 44 44 MET H H 44 8.963 8.963 8.627 0.336 17716 1625 1 5 . 1 1 45 45 GLU N N 45 122.374 122.374 121.643 0.731 17716 1626 1 5 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.454 -0.345 17716 1627 1 5 . 1 1 45 45 GLU C C 45 176.320 176.320 176.385 -0.065 17716 1628 1 5 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.406 1.337 17716 1629 1 5 . 1 1 45 45 GLU CB C 45 31.982 31.982 33.366 -1.384 17716 1630 1 5 . 1 1 45 45 GLU H H 45 8.668 8.668 8.551 0.117 17716 1631 1 5 . 1 1 46 46 THR N N 46 116.696 116.696 118.437 -1.741 17716 1632 1 5 . 1 1 46 46 THR HA H 46 4.757 4.757 4.761 -0.004 17716 1633 1 5 . 1 1 46 46 THR C C 46 176.657 176.657 176.322 0.335 17716 1634 1 5 . 1 1 46 46 THR CA C 46 61.317 61.317 61.030 0.287 17716 1635 1 5 . 1 1 46 46 THR CB C 46 70.203 70.203 70.239 -0.036 17716 1636 1 5 . 1 1 46 46 THR H H 46 9.083 9.083 8.106 0.977 17716 1637 1 5 . 1 1 47 47 ARG N N 47 119.546 119.546 121.051 -1.505 17716 1638 1 5 . 1 1 47 47 ARG HA H 47 4.016 4.016 3.979 0.037 17716 1639 1 5 . 1 1 47 47 ARG C C 47 176.519 176.519 177.341 -0.822 17716 1640 1 5 . 1 1 47 47 ARG CA C 47 59.291 59.291 58.962 0.330 17716 1641 1 5 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.386 0.306 17716 1642 1 5 . 1 1 47 47 ARG H H 47 8.580 8.580 8.478 0.102 17716 1643 1 5 . 1 1 48 48 ASP N N 48 114.579 114.579 118.412 -3.833 17716 1644 1 5 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.553 0.156 17716 1645 1 5 . 1 1 48 48 ASP C C 48 176.519 176.519 177.023 -0.504 17716 1646 1 5 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.928 -1.485 17716 1647 1 5 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.759 -0.327 17716 1648 1 5 . 1 1 48 48 ASP H H 48 7.884 7.884 8.203 -0.319 17716 1649 1 5 . 1 1 49 49 GLY N N 49 107.958 107.958 107.648 0.310 17716 1650 1 5 . 1 1 49 49 GLY C C 49 174.547 174.547 174.118 0.429 17716 1651 1 5 . 1 1 49 49 GLY CA C 49 45.264 45.264 44.639 0.625 17716 1652 1 5 . 1 1 49 49 GLY H H 49 7.838 7.838 7.593 0.245 17716 1653 1 5 . 1 1 50 50 THR N N 50 118.527 118.527 117.201 1.326 17716 1654 1 5 . 1 1 50 50 THR HA H 50 4.100 4.100 4.257 -0.157 17716 1655 1 5 . 1 1 50 50 THR C C 50 173.339 173.339 173.671 -0.332 17716 1656 1 5 . 1 1 50 50 THR CA C 50 63.381 63.381 62.418 0.963 17716 1657 1 5 . 1 1 50 50 THR CB C 50 68.781 68.781 69.863 -1.082 17716 1658 1 5 . 1 1 50 50 THR H H 50 7.783 7.783 8.372 -0.589 17716 1659 1 5 . 1 1 51 51 LYS N N 51 125.284 125.284 129.285 -4.001 17716 1660 1 5 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.519 0.552 17716 1661 1 5 . 1 1 51 51 LYS C C 51 176.137 176.137 175.889 0.248 17716 1662 1 5 . 1 1 51 51 LYS CA C 51 55.087 55.087 55.908 -0.821 17716 1663 1 5 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.705 0.619 17716 1664 1 5 . 1 1 51 51 LYS H H 51 8.569 8.569 8.579 -0.010 17716 1665 1 5 . 1 1 52 52 ILE N N 52 123.781 123.781 124.716 -0.935 17716 1666 1 5 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.401 -0.229 17716 1667 1 5 . 1 1 52 52 ILE C C 52 174.730 174.730 174.273 0.457 17716 1668 1 5 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.345 0.214 17716 1669 1 5 . 1 1 52 52 ILE CB C 52 41.853 41.853 39.165 2.688 17716 1670 1 5 . 1 1 52 52 ILE H H 52 8.887 8.887 8.376 0.511 17716 1671 1 5 . 1 1 53 53 ILE N N 53 128.421 128.421 125.883 2.538 17716 1672 1 5 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.275 -0.194 17716 1673 1 5 . 1 1 53 53 ILE C C 53 176.412 176.412 176.118 0.294 17716 1674 1 5 . 1 1 53 53 ILE CA C 53 60.476 60.476 59.692 0.784 17716 1675 1 5 . 1 1 53 53 ILE CB C 53 37.431 37.431 38.894 -1.463 17716 1676 1 5 . 1 1 53 53 ILE H H 53 8.567 8.567 8.644 -0.077 17716 1677 1 5 . 1 1 54 54 MET N N 54 126.582 126.582 126.961 -0.379 17716 1678 1 5 . 1 1 54 54 MET HA H 54 4.282 4.282 4.260 0.022 17716 1679 1 5 . 1 1 54 54 MET C C 54 174.547 174.547 175.807 -1.260 17716 1680 1 5 . 1 1 54 54 MET CA C 54 56.424 56.424 54.915 1.509 17716 1681 1 5 . 1 1 54 54 MET CB C 54 31.587 31.587 30.242 1.345 17716 1682 1 5 . 1 1 54 54 MET H H 54 8.886 8.886 8.754 0.132 17716 1683 1 5 . 1 1 55 55 LYS N N 55 106.838 106.838 127.205 -20.367 17716 1684 1 5 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.185 0.519 17716 1685 1 5 . 1 1 55 55 LYS C C 55 175.051 175.051 177.963 -2.912 17716 1686 1 5 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.941 -3.510 17716 1687 1 5 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.505 1.688 17716 1688 1 5 . 1 1 55 55 LYS H H 55 8.559 8.559 8.503 0.056 17716 1689 1 5 . 1 1 56 56 GLY N N 56 113.486 113.486 106.368 7.118 17716 1690 1 5 . 1 1 56 56 GLY C C 56 181.029 181.029 174.184 6.845 17716 1691 1 5 . 1 1 56 56 GLY CA C 56 44.461 44.461 45.014 -0.553 17716 1692 1 5 . 1 1 56 56 GLY H H 56 9.317 9.317 8.523 0.794 17716 1693 1 5 . 1 1 57 57 ASN N N 57 112.557 112.557 119.461 -6.904 17716 1694 1 5 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.526 0.204 17716 1695 1 5 . 1 1 57 57 ASN C C 57 177.023 177.023 175.600 1.423 17716 1696 1 5 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.753 0.225 17716 1697 1 5 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.984 -1.711 17716 1698 1 5 . 1 1 57 57 ASN H H 57 8.732 8.732 8.180 0.552 17716 1699 1 5 . 1 1 58 58 GLU N N 58 123.440 123.440 119.764 3.676 17716 1700 1 5 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.251 0.123 17716 1701 1 5 . 1 1 58 58 GLU C C 58 176.244 176.244 176.350 -0.106 17716 1702 1 5 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.485 -0.742 17716 1703 1 5 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.571 0.226 17716 1704 1 5 . 1 1 58 58 GLU H H 58 9.124 9.124 8.346 0.778 17716 1705 1 5 . 1 1 59 59 ILE N N 59 120.912 120.912 119.724 1.188 17716 1706 1 5 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.924 -0.297 17716 1707 1 5 . 1 1 59 59 ILE C C 59 177.360 177.360 177.201 0.159 17716 1708 1 5 . 1 1 59 59 ILE CA C 59 64.833 64.833 64.343 0.490 17716 1709 1 5 . 1 1 59 59 ILE CB C 59 37.826 37.826 38.039 -0.213 17716 1710 1 5 . 1 1 59 59 ILE H H 59 7.703 7.703 7.668 0.035 17716 1711 1 5 . 1 1 60 60 PHE N N 60 119.669 119.669 118.456 1.213 17716 1712 1 5 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.461 0.022 17716 1713 1 5 . 1 1 60 60 PHE C C 60 178.889 178.889 177.148 1.741 17716 1714 1 5 . 1 1 60 60 PHE CA C 60 60.514 60.514 59.374 1.140 17716 1715 1 5 . 1 1 60 60 PHE CB C 60 38.063 38.063 37.484 0.579 17716 1716 1 5 . 1 1 60 60 PHE H H 60 7.934 7.934 7.925 0.010 17716 1717 1 5 . 1 1 61 61 ARG N N 61 119.587 119.587 120.103 -0.516 17716 1718 1 5 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.820 0.217 17716 1719 1 5 . 1 1 61 61 ARG C C 61 180.051 180.051 178.345 1.706 17716 1720 1 5 . 1 1 61 61 ARG CA C 61 58.832 58.832 57.613 1.219 17716 1721 1 5 . 1 1 61 61 ARG CB C 61 31.597 31.597 28.704 2.893 17716 1722 1 5 . 1 1 61 61 ARG H H 61 8.133 8.133 6.556 1.577 17716 1723 1 5 . 1 1 62 62 LEU N N 62 121.008 121.008 117.202 3.806 17716 1724 1 5 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.744 -0.517 17716 1725 1 5 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.358 -1.122 17716 1726 1 5 . 1 1 62 62 LEU H H 62 8.517 8.517 8.338 0.179 17716 1727 1 5 . 1 1 70 70 HIS C C 70 177.253 177.253 175.517 1.736 17716 1728 1 5 . 1 1 71 71 SER N N 71 121.301 121.301 114.491 6.810 17716 1729 1 5 . 1 1 71 71 SER C C 71 173.461 173.461 174.285 -0.824 17716 1730 1 5 . 1 1 71 71 SER CA C 71 58.259 58.259 58.956 -0.697 17716 1731 1 5 . 1 1 71 71 SER H H 71 8.652 8.652 8.405 0.247 17716 1732 1 5 . 1 1 72 72 GLU N N 72 122.601 122.601 122.247 0.354 17716 1733 1 5 . 1 1 72 72 GLU C C 72 176.916 176.916 176.307 0.609 17716 1734 1 5 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.729 -1.948 17716 1735 1 5 . 1 1 72 72 GLU CB C 72 30.008 30.008 28.484 1.524 17716 1736 1 5 . 1 1 72 72 GLU H H 72 8.705 8.705 8.271 0.434 17716 1737 1 5 . 1 1 73 73 GLY N N 73 110.370 110.370 110.771 -0.401 17716 1738 1 5 . 1 1 73 73 GLY C C 73 173.736 173.736 173.292 0.444 17716 1739 1 5 . 1 1 73 73 GLY CA C 73 45.264 45.264 44.911 0.353 17716 1740 1 5 . 1 1 73 73 GLY H H 73 8.441 8.441 8.114 0.327 17716 1741 1 6 . 1 1 2 2 ASP N N 2 117.290 117.290 121.097 -3.807 17716 1742 1 6 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.320 0.718 17716 1743 1 6 . 1 1 2 2 ASP H H 2 8.582 8.582 8.247 0.335 17716 1744 1 6 . 1 1 3 3 MET N N 3 117.021 117.021 117.627 -0.606 17716 1745 1 6 . 1 1 3 3 MET CA C 3 58.045 58.045 57.800 0.245 17716 1746 1 6 . 1 1 3 3 MET H H 3 8.539 8.539 7.908 0.631 17716 1747 1 6 . 1 1 4 4 SER N N 4 121.274 121.274 114.606 6.668 17716 1748 1 6 . 1 1 4 4 SER C C 4 176.458 176.458 174.804 1.654 17716 1749 1 6 . 1 1 4 4 SER CA C 4 59.826 59.826 59.184 0.643 17716 1750 1 6 . 1 1 4 4 SER H H 4 8.699 8.699 8.193 0.506 17716 1751 1 6 . 1 1 5 5 ASN N N 5 115.377 115.377 120.012 -4.635 17716 1752 1 6 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.209 0.005 17716 1753 1 6 . 1 1 5 5 ASN H H 5 8.125 8.125 7.852 0.273 17716 1754 1 6 . 1 1 6 6 VAL N N 6 121.274 121.274 124.076 -2.802 17716 1755 1 6 . 1 1 6 6 VAL C C 6 175.755 175.755 176.439 -0.684 17716 1756 1 6 . 1 1 6 6 VAL CA C 6 63.534 63.534 62.418 1.116 17716 1757 1 6 . 1 1 6 6 VAL H H 6 7.572 7.572 8.322 -0.750 17716 1758 1 6 . 1 1 7 7 VAL N N 7 125.259 125.259 126.688 -1.429 17716 1759 1 6 . 1 1 7 7 VAL HA H 7 4.296 4.296 3.981 0.315 17716 1760 1 6 . 1 1 7 7 VAL C C 7 175.602 175.602 175.157 0.445 17716 1761 1 6 . 1 1 7 7 VAL CA C 7 63.725 63.725 62.334 1.391 17716 1762 1 6 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.815 -0.030 17716 1763 1 6 . 1 1 7 7 VAL H H 7 8.572 8.572 8.244 0.328 17716 1764 1 6 . 1 1 8 8 LYS N N 8 121.875 121.875 127.158 -5.283 17716 1765 1 6 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.356 -0.018 17716 1766 1 6 . 1 1 8 8 LYS C C 8 172.743 172.743 174.811 -2.068 17716 1767 1 6 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.476 0.031 17716 1768 1 6 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.706 2.470 17716 1769 1 6 . 1 1 8 8 LYS H H 8 7.437 7.437 8.562 -1.125 17716 1770 1 6 . 1 1 9 9 THR N N 9 121.187 121.187 119.857 1.330 17716 1771 1 6 . 1 1 9 9 THR HA H 9 5.106 5.106 4.791 0.315 17716 1772 1 6 . 1 1 9 9 THR C C 9 173.660 173.660 173.165 0.495 17716 1773 1 6 . 1 1 9 9 THR CA C 9 61.928 61.928 61.659 0.269 17716 1774 1 6 . 1 1 9 9 THR CB C 9 71.703 71.703 70.646 1.057 17716 1775 1 6 . 1 1 9 9 THR H H 9 8.041 8.041 7.969 0.072 17716 1776 1 6 . 1 1 10 10 TYR N N 10 123.795 123.795 126.654 -2.859 17716 1777 1 6 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.588 0.198 17716 1778 1 6 . 1 1 10 10 TYR C C 10 174.684 174.684 174.962 -0.278 17716 1779 1 6 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.345 0.003 17716 1780 1 6 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.220 1.054 17716 1781 1 6 . 1 1 10 10 TYR H H 10 9.078 9.078 8.197 0.881 17716 1782 1 6 . 1 1 11 11 ASP N N 11 123.002 123.002 126.313 -3.311 17716 1783 1 6 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.588 0.167 17716 1784 1 6 . 1 1 11 11 ASP C C 11 176.137 176.137 175.813 0.324 17716 1785 1 6 . 1 1 11 11 ASP CA C 11 54.666 54.666 54.481 0.185 17716 1786 1 6 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.050 1.645 17716 1787 1 6 . 1 1 11 11 ASP H H 11 8.814 8.814 8.893 -0.079 17716 1788 1 6 . 1 1 12 12 LEU N N 12 121.896 121.896 122.769 -0.873 17716 1789 1 6 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.251 0.556 17716 1790 1 6 . 1 1 12 12 LEU C C 12 179.072 179.072 178.710 0.362 17716 1791 1 6 . 1 1 12 12 LEU CA C 12 53.940 53.940 56.239 -2.299 17716 1792 1 6 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.499 -1.515 17716 1793 1 6 . 1 1 12 12 LEU H H 12 8.606 8.606 8.032 0.574 17716 1794 1 6 . 1 1 13 13 GLN N N 13 119.615 119.615 120.902 -1.287 17716 1795 1 6 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.207 -0.230 17716 1796 1 6 . 1 1 13 13 GLN C C 13 175.923 175.923 176.639 -0.716 17716 1797 1 6 . 1 1 13 13 GLN CA C 13 58.488 58.488 57.832 0.656 17716 1798 1 6 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.662 -0.392 17716 1799 1 6 . 1 1 13 13 GLN H H 13 8.360 8.360 8.425 -0.065 17716 1800 1 6 . 1 1 14 14 ASP N N 14 115.289 115.289 118.261 -2.972 17716 1801 1 6 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.702 -0.215 17716 1802 1 6 . 1 1 14 14 ASP C C 14 177.161 177.161 176.688 0.473 17716 1803 1 6 . 1 1 14 14 ASP CA C 14 53.405 53.405 54.056 -0.651 17716 1804 1 6 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.392 -0.513 17716 1805 1 6 . 1 1 14 14 ASP H H 14 7.843 7.843 8.332 -0.489 17716 1806 1 6 . 1 1 15 15 GLY N N 15 107.917 107.917 106.640 1.277 17716 1807 1 6 . 1 1 15 15 GLY C C 15 174.333 174.333 173.906 0.427 17716 1808 1 6 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.755 -0.567 17716 1809 1 6 . 1 1 15 15 GLY H H 15 7.799 7.799 7.895 -0.096 17716 1810 1 6 . 1 1 16 16 SER N N 16 116.054 116.054 114.780 1.274 17716 1811 1 6 . 1 1 16 16 SER HA H 16 4.405 4.405 4.849 -0.444 17716 1812 1 6 . 1 1 16 16 SER C C 16 172.146 172.146 173.380 -1.234 17716 1813 1 6 . 1 1 16 16 SER CA C 16 58.450 58.450 58.178 0.272 17716 1814 1 6 . 1 1 16 16 SER CB C 16 64.517 64.517 64.466 0.051 17716 1815 1 6 . 1 1 16 16 SER H H 16 7.927 7.927 7.570 0.357 17716 1816 1 6 . 1 1 17 17 LYS N N 17 117.434 117.434 120.510 -3.076 17716 1817 1 6 . 1 1 17 17 LYS HA H 17 5.183 5.183 4.730 0.453 17716 1818 1 6 . 1 1 17 17 LYS C C 17 175.724 175.724 174.723 1.001 17716 1819 1 6 . 1 1 17 17 LYS CA C 17 55.049 55.049 56.037 -0.988 17716 1820 1 6 . 1 1 17 17 LYS CB C 17 37.668 37.668 35.995 1.673 17716 1821 1 6 . 1 1 17 17 LYS H H 17 9.127 9.127 8.052 1.075 17716 1822 1 6 . 1 1 18 18 VAL N N 18 117.543 117.543 125.184 -7.641 17716 1823 1 6 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.603 0.412 17716 1824 1 6 . 1 1 18 18 VAL C C 18 183.445 183.445 174.947 8.498 17716 1825 1 6 . 1 1 18 18 VAL CA C 18 58.679 58.679 60.292 -1.613 17716 1826 1 6 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.464 1.045 17716 1827 1 6 . 1 1 18 18 VAL H H 18 8.580 8.580 8.027 0.553 17716 1828 1 6 . 1 1 19 19 HIS N N 19 128.371 128.371 120.183 8.188 17716 1829 1 6 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.064 -0.058 17716 1830 1 6 . 1 1 19 19 HIS C C 19 174.302 174.302 173.810 0.492 17716 1831 1 6 . 1 1 19 19 HIS CA C 19 54.590 54.590 53.942 0.648 17716 1832 1 6 . 1 1 19 19 HIS CB C 19 33.087 33.087 30.730 2.357 17716 1833 1 6 . 1 1 19 19 HIS H H 19 8.901 8.901 7.705 1.196 17716 1834 1 6 . 1 1 20 20 VAL N N 20 123.150 123.150 118.970 4.180 17716 1835 1 6 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.605 -0.159 17716 1836 1 6 . 1 1 20 20 VAL C C 20 176.045 176.045 174.039 2.006 17716 1837 1 6 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.982 0.526 17716 1838 1 6 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.373 -0.759 17716 1839 1 6 . 1 1 20 20 VAL H H 20 9.351 9.351 8.129 1.222 17716 1840 1 6 . 1 1 21 21 PHE N N 21 124.942 124.942 123.612 1.330 17716 1841 1 6 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.849 0.037 17716 1842 1 6 . 1 1 21 21 PHE C C 21 178.613 178.613 177.489 1.124 17716 1843 1 6 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.219 1.499 17716 1844 1 6 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.064 0.605 17716 1845 1 6 . 1 1 21 21 PHE H H 21 9.324 9.324 8.838 0.485 17716 1846 1 6 . 1 1 22 22 LYS N N 22 122.104 122.104 120.650 1.454 17716 1847 1 6 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.232 -0.293 17716 1848 1 6 . 1 1 22 22 LYS C C 22 175.969 175.969 176.541 -0.572 17716 1849 1 6 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.283 1.581 17716 1850 1 6 . 1 1 22 22 LYS CB C 22 32.614 32.614 31.574 1.040 17716 1851 1 6 . 1 1 22 22 LYS H H 22 8.411 8.411 8.837 -0.426 17716 1852 1 6 . 1 1 23 23 ASP N N 23 114.797 114.797 116.862 -2.065 17716 1853 1 6 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.740 -0.251 17716 1854 1 6 . 1 1 23 23 ASP C C 23 176.794 176.794 177.143 -0.349 17716 1855 1 6 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.390 0.015 17716 1856 1 6 . 1 1 23 23 ASP CB C 23 39.642 39.642 39.480 0.161 17716 1857 1 6 . 1 1 23 23 ASP H H 23 8.006 8.006 8.151 -0.145 17716 1858 1 6 . 1 1 24 24 GLY N N 24 109.105 109.105 108.049 1.056 17716 1859 1 6 . 1 1 24 24 GLY C C 24 173.844 173.844 174.555 -0.711 17716 1860 1 6 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.695 -0.699 17716 1861 1 6 . 1 1 24 24 GLY H H 24 8.346 8.346 7.631 0.715 17716 1862 1 6 . 1 1 25 25 LYS N N 25 117.557 117.557 120.263 -2.706 17716 1863 1 6 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.311 0.043 17716 1864 1 6 . 1 1 25 25 LYS C C 25 175.862 175.862 177.017 -1.155 17716 1865 1 6 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.463 -0.285 17716 1866 1 6 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.219 0.421 17716 1867 1 6 . 1 1 25 25 LYS H H 25 7.584 7.584 7.791 -0.207 17716 1868 1 6 . 1 1 26 26 MET N N 26 116.628 116.628 120.368 -3.740 17716 1869 1 6 . 1 1 26 26 MET HA H 26 5.995 5.995 4.581 1.414 17716 1870 1 6 . 1 1 26 26 MET C C 26 175.724 175.724 176.318 -0.594 17716 1871 1 6 . 1 1 26 26 MET CA C 26 55.469 55.469 56.704 -1.235 17716 1872 1 6 . 1 1 26 26 MET CB C 26 36.562 36.562 34.727 1.835 17716 1873 1 6 . 1 1 26 26 MET H H 26 8.599 8.599 8.876 -0.277 17716 1874 1 6 . 1 1 27 27 GLY N N 27 104.570 104.570 106.037 -1.467 17716 1875 1 6 . 1 1 27 27 GLY C C 27 183.552 183.552 172.331 11.221 17716 1876 1 6 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.920 -0.460 17716 1877 1 6 . 1 1 27 27 GLY H H 27 9.063 9.063 8.279 0.784 17716 1878 1 6 . 1 1 28 28 MET N N 28 119.860 119.860 124.191 -4.331 17716 1879 1 6 . 1 1 28 28 MET HA H 28 5.302 5.302 4.543 0.759 17716 1880 1 6 . 1 1 28 28 MET C C 28 173.431 173.431 174.495 -1.064 17716 1881 1 6 . 1 1 28 28 MET CA C 28 52.106 52.106 54.877 -2.771 17716 1882 1 6 . 1 1 28 28 MET CB C 28 31.508 31.508 33.712 -2.204 17716 1883 1 6 . 1 1 28 28 MET H H 28 8.751 8.751 8.852 -0.101 17716 1884 1 6 . 1 1 29 29 GLU N N 29 123.440 123.440 127.142 -3.702 17716 1885 1 6 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.646 0.361 17716 1886 1 6 . 1 1 29 29 GLU C C 29 175.479 175.479 174.593 0.886 17716 1887 1 6 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.395 -0.296 17716 1888 1 6 . 1 1 29 29 GLU CB C 29 34.430 34.430 33.682 0.748 17716 1889 1 6 . 1 1 29 29 GLU H H 29 8.904 8.904 8.459 0.445 17716 1890 1 6 . 1 1 30 30 ASN N N 30 123.219 123.219 125.873 -2.654 17716 1891 1 6 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.755 -0.132 17716 1892 1 6 . 1 1 30 30 ASN C C 30 176.886 176.886 176.283 0.603 17716 1893 1 6 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.317 -0.899 17716 1894 1 6 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.435 -0.268 17716 1895 1 6 . 1 1 30 30 ASN H H 30 9.339 9.339 8.361 0.978 17716 1896 1 6 . 1 1 31 31 LYS N N 31 116.491 116.491 119.929 -3.438 17716 1897 1 6 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.262 -0.320 17716 1898 1 6 . 1 1 31 31 LYS C C 31 175.663 175.663 176.399 -0.736 17716 1899 1 6 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.800 0.306 17716 1900 1 6 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.290 0.139 17716 1901 1 6 . 1 1 31 31 LYS H H 31 8.512 8.512 8.628 -0.116 17716 1902 1 6 . 1 1 32 32 PHE N N 32 117.885 117.885 119.789 -1.904 17716 1903 1 6 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.423 0.332 17716 1904 1 6 . 1 1 32 32 PHE C C 32 176.060 176.060 176.002 0.058 17716 1905 1 6 . 1 1 32 32 PHE CA C 32 56.577 56.577 58.150 -1.573 17716 1906 1 6 . 1 1 32 32 PHE CB C 32 38.852 38.852 39.077 -0.225 17716 1907 1 6 . 1 1 32 32 PHE H H 32 7.507 7.507 8.057 -0.550 17716 1908 1 6 . 1 1 33 33 GLY N N 33 108.245 108.245 107.553 0.692 17716 1909 1 6 . 1 1 33 33 GLY C C 33 173.828 173.828 173.904 -0.076 17716 1910 1 6 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.290 0.356 17716 1911 1 6 . 1 1 33 33 GLY H H 33 8.062 8.062 7.817 0.245 17716 1912 1 6 . 1 1 34 34 LYS N N 34 117.724 117.724 120.795 -3.071 17716 1913 1 6 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.673 -0.031 17716 1914 1 6 . 1 1 34 34 LYS C C 34 175.862 175.862 175.749 0.113 17716 1915 1 6 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.875 -1.814 17716 1916 1 6 . 1 1 34 34 LYS CB C 34 34.193 34.193 35.758 -1.565 17716 1917 1 6 . 1 1 34 34 LYS H H 34 7.561 7.561 8.866 -1.305 17716 1918 1 6 . 1 1 35 35 SER N N 35 117.079 117.079 120.044 -2.965 17716 1919 1 6 . 1 1 35 35 SER HA H 35 5.001 5.001 4.436 0.565 17716 1920 1 6 . 1 1 35 35 SER C C 35 174.210 174.210 174.409 -0.199 17716 1921 1 6 . 1 1 35 35 SER CA C 35 57.953 57.953 60.049 -2.096 17716 1922 1 6 . 1 1 35 35 SER CB C 35 64.043 64.043 63.662 0.381 17716 1923 1 6 . 1 1 35 35 SER H H 35 8.588 8.588 8.704 -0.116 17716 1924 1 6 . 1 1 36 36 MET N N 36 117.966 117.966 123.999 -6.033 17716 1925 1 6 . 1 1 36 36 MET HA H 36 4.765 4.765 4.504 0.261 17716 1926 1 6 . 1 1 36 36 MET C C 36 173.461 173.461 174.799 -1.338 17716 1927 1 6 . 1 1 36 36 MET CA C 36 54.055 54.055 54.229 -0.174 17716 1928 1 6 . 1 1 36 36 MET CB C 36 36.009 36.009 34.819 1.190 17716 1929 1 6 . 1 1 36 36 MET H H 36 8.044 8.044 7.865 0.179 17716 1930 1 6 . 1 1 37 37 ASN N N 37 122.101 122.101 124.855 -2.754 17716 1931 1 6 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.588 0.107 17716 1932 1 6 . 1 1 37 37 ASN C C 37 175.770 175.770 174.760 1.010 17716 1933 1 6 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.320 0.697 17716 1934 1 6 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.649 2.335 17716 1935 1 6 . 1 1 37 37 ASN H H 37 8.753 8.753 8.764 -0.011 17716 1936 1 6 . 1 1 38 38 MET N N 38 122.627 122.627 126.915 -4.288 17716 1937 1 6 . 1 1 38 38 MET HA H 38 4.623 4.623 4.817 -0.194 17716 1938 1 6 . 1 1 38 38 MET CA C 38 54.093 54.093 52.599 1.494 17716 1939 1 6 . 1 1 38 38 MET CB C 38 38.708 38.708 34.228 4.480 17716 1940 1 6 . 1 1 38 38 MET H H 38 8.133 8.133 8.036 0.097 17716 1941 1 6 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.515 -0.235 17716 1942 1 6 . 1 1 39 39 PRO C C 39 175.831 175.831 176.649 -0.818 17716 1943 1 6 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.110 0.544 17716 1944 1 6 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.164 0.292 17716 1945 1 6 . 1 1 40 40 GLU N N 40 120.437 120.437 122.940 -2.503 17716 1946 1 6 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.183 -0.486 17716 1947 1 6 . 1 1 40 40 GLU C C 40 177.757 177.757 177.310 0.447 17716 1948 1 6 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.660 0.140 17716 1949 1 6 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.031 0.977 17716 1950 1 6 . 1 1 40 40 GLU H H 40 8.322 8.322 8.442 -0.120 17716 1951 1 6 . 1 1 41 41 GLY N N 41 112.092 112.092 112.072 0.020 17716 1952 1 6 . 1 1 41 41 GLY C C 41 173.935 173.935 174.935 -1.000 17716 1953 1 6 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.770 0.035 17716 1954 1 6 . 1 1 41 41 GLY H H 41 9.188 9.188 8.503 0.685 17716 1955 1 6 . 1 1 42 42 LYS N N 42 120.325 120.325 124.101 -3.776 17716 1956 1 6 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.318 -0.070 17716 1957 1 6 . 1 1 42 42 LYS C C 42 175.755 175.755 176.583 -0.828 17716 1958 1 6 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.691 0.007 17716 1959 1 6 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.678 1.173 17716 1960 1 6 . 1 1 42 42 LYS H H 42 6.967 6.967 7.774 -0.807 17716 1961 1 6 . 1 1 43 43 VAL N N 43 124.724 124.724 125.022 -0.298 17716 1962 1 6 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.770 0.207 17716 1963 1 6 . 1 1 43 43 VAL C C 43 175.770 175.770 176.661 -0.891 17716 1964 1 6 . 1 1 43 43 VAL CA C 43 63.610 63.610 63.787 -0.177 17716 1965 1 6 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.231 0.751 17716 1966 1 6 . 1 1 43 43 VAL H H 43 8.572 8.572 8.138 0.434 17716 1967 1 6 . 1 1 44 44 MET N N 44 127.278 127.278 126.680 0.598 17716 1968 1 6 . 1 1 44 44 MET HA H 44 4.545 4.545 4.834 -0.289 17716 1969 1 6 . 1 1 44 44 MET C C 44 173.522 173.522 174.429 -0.907 17716 1970 1 6 . 1 1 44 44 MET CA C 44 53.558 53.558 54.617 -1.059 17716 1971 1 6 . 1 1 44 44 MET CB C 44 34.351 34.351 34.693 -0.341 17716 1972 1 6 . 1 1 44 44 MET H H 44 8.963 8.963 8.583 0.380 17716 1973 1 6 . 1 1 45 45 GLU N N 45 122.374 122.374 121.929 0.445 17716 1974 1 6 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.499 -0.390 17716 1975 1 6 . 1 1 45 45 GLU C C 45 176.320 176.320 176.231 0.089 17716 1976 1 6 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.858 0.885 17716 1977 1 6 . 1 1 45 45 GLU CB C 45 31.982 31.982 33.264 -1.282 17716 1978 1 6 . 1 1 45 45 GLU H H 45 8.668 8.668 8.545 0.123 17716 1979 1 6 . 1 1 46 46 THR N N 46 116.696 116.696 117.535 -0.839 17716 1980 1 6 . 1 1 46 46 THR HA H 46 4.757 4.757 4.972 -0.215 17716 1981 1 6 . 1 1 46 46 THR C C 46 176.657 176.657 175.867 0.790 17716 1982 1 6 . 1 1 46 46 THR CA C 46 61.317 61.317 60.519 0.798 17716 1983 1 6 . 1 1 46 46 THR CB C 46 70.203 70.203 71.278 -1.075 17716 1984 1 6 . 1 1 46 46 THR H H 46 9.083 9.083 8.302 0.781 17716 1985 1 6 . 1 1 47 47 ARG N N 47 119.546 119.546 119.379 0.167 17716 1986 1 6 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.370 -0.354 17716 1987 1 6 . 1 1 47 47 ARG C C 47 176.519 176.519 178.147 -1.628 17716 1988 1 6 . 1 1 47 47 ARG CA C 47 59.291 59.291 58.420 0.871 17716 1989 1 6 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.969 -0.277 17716 1990 1 6 . 1 1 47 47 ARG H H 47 8.580 8.580 8.094 0.486 17716 1991 1 6 . 1 1 48 48 ASP N N 48 114.579 114.579 117.883 -3.304 17716 1992 1 6 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.549 0.160 17716 1993 1 6 . 1 1 48 48 ASP C C 48 176.519 176.519 176.468 0.051 17716 1994 1 6 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.024 -0.581 17716 1995 1 6 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.889 -0.457 17716 1996 1 6 . 1 1 48 48 ASP H H 48 7.884 7.884 8.001 -0.117 17716 1997 1 6 . 1 1 49 49 GLY N N 49 107.958 107.958 107.855 0.103 17716 1998 1 6 . 1 1 49 49 GLY C C 49 174.547 174.547 174.185 0.362 17716 1999 1 6 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.122 0.142 17716 2000 1 6 . 1 1 49 49 GLY H H 49 7.838 7.838 7.564 0.274 17716 2001 1 6 . 1 1 50 50 THR N N 50 118.527 118.527 116.818 1.709 17716 2002 1 6 . 1 1 50 50 THR HA H 50 4.100 4.100 4.456 -0.356 17716 2003 1 6 . 1 1 50 50 THR C C 50 173.339 173.339 173.159 0.180 17716 2004 1 6 . 1 1 50 50 THR CA C 50 63.381 63.381 61.550 1.831 17716 2005 1 6 . 1 1 50 50 THR CB C 50 68.781 68.781 71.226 -2.445 17716 2006 1 6 . 1 1 50 50 THR H H 50 7.783 7.783 7.621 0.162 17716 2007 1 6 . 1 1 51 51 LYS N N 51 125.284 125.284 128.498 -3.214 17716 2008 1 6 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.735 0.336 17716 2009 1 6 . 1 1 51 51 LYS C C 51 176.137 176.137 175.827 0.310 17716 2010 1 6 . 1 1 51 51 LYS CA C 51 55.087 55.087 55.599 -0.512 17716 2011 1 6 . 1 1 51 51 LYS CB C 51 33.324 33.324 33.596 -0.272 17716 2012 1 6 . 1 1 51 51 LYS H H 51 8.569 8.569 8.552 0.017 17716 2013 1 6 . 1 1 52 52 ILE N N 52 123.781 123.781 122.272 1.509 17716 2014 1 6 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.488 -0.316 17716 2015 1 6 . 1 1 52 52 ILE C C 52 174.730 174.730 173.700 1.030 17716 2016 1 6 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.269 0.290 17716 2017 1 6 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.267 1.586 17716 2018 1 6 . 1 1 52 52 ILE H H 52 8.887 8.887 8.384 0.503 17716 2019 1 6 . 1 1 53 53 ILE N N 53 128.421 128.421 125.905 2.516 17716 2020 1 6 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.268 -0.187 17716 2021 1 6 . 1 1 53 53 ILE C C 53 176.412 176.412 175.518 0.894 17716 2022 1 6 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.517 -0.041 17716 2023 1 6 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.374 -1.944 17716 2024 1 6 . 1 1 53 53 ILE H H 53 8.567 8.567 8.492 0.075 17716 2025 1 6 . 1 1 54 54 MET N N 54 126.582 126.582 128.199 -1.617 17716 2026 1 6 . 1 1 54 54 MET HA H 54 4.282 4.282 4.281 0.001 17716 2027 1 6 . 1 1 54 54 MET C C 54 174.547 174.547 175.604 -1.057 17716 2028 1 6 . 1 1 54 54 MET CA C 54 56.424 56.424 55.368 1.056 17716 2029 1 6 . 1 1 54 54 MET CB C 54 31.587 31.587 30.093 1.494 17716 2030 1 6 . 1 1 54 54 MET H H 54 8.886 8.886 8.954 -0.068 17716 2031 1 6 . 1 1 55 55 LYS N N 55 106.838 106.838 125.172 -18.334 17716 2032 1 6 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.198 0.506 17716 2033 1 6 . 1 1 55 55 LYS C C 55 175.051 175.051 177.846 -2.795 17716 2034 1 6 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.578 -3.147 17716 2035 1 6 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.660 1.533 17716 2036 1 6 . 1 1 55 55 LYS H H 55 8.559 8.559 8.394 0.165 17716 2037 1 6 . 1 1 56 56 GLY N N 56 113.486 113.486 106.501 6.985 17716 2038 1 6 . 1 1 56 56 GLY C C 56 181.029 181.029 173.589 7.440 17716 2039 1 6 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.469 -0.008 17716 2040 1 6 . 1 1 56 56 GLY H H 56 9.317 9.317 8.427 0.890 17716 2041 1 6 . 1 1 57 57 ASN N N 57 112.557 112.557 120.103 -7.546 17716 2042 1 6 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.643 0.087 17716 2043 1 6 . 1 1 57 57 ASN C C 57 177.023 177.023 176.162 0.861 17716 2044 1 6 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.531 0.447 17716 2045 1 6 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.958 -1.685 17716 2046 1 6 . 1 1 57 57 ASN H H 57 8.732 8.732 7.895 0.837 17716 2047 1 6 . 1 1 58 58 GLU N N 58 123.440 123.440 121.436 2.004 17716 2048 1 6 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.618 -0.244 17716 2049 1 6 . 1 1 58 58 GLU C C 58 176.244 176.244 177.227 -0.983 17716 2050 1 6 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.051 -0.308 17716 2051 1 6 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.691 0.106 17716 2052 1 6 . 1 1 58 58 GLU H H 58 9.124 9.124 8.430 0.694 17716 2053 1 6 . 1 1 59 59 ILE N N 59 120.912 120.912 118.246 2.666 17716 2054 1 6 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.787 -0.160 17716 2055 1 6 . 1 1 59 59 ILE C C 59 177.360 177.360 177.061 0.299 17716 2056 1 6 . 1 1 59 59 ILE CA C 59 64.833 64.833 64.286 0.547 17716 2057 1 6 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.440 0.386 17716 2058 1 6 . 1 1 59 59 ILE H H 59 7.703 7.703 7.604 0.099 17716 2059 1 6 . 1 1 60 60 PHE N N 60 119.669 119.669 118.794 0.875 17716 2060 1 6 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.111 0.372 17716 2061 1 6 . 1 1 60 60 PHE C C 60 178.889 178.889 176.915 1.974 17716 2062 1 6 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.649 -0.135 17716 2063 1 6 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.348 -0.285 17716 2064 1 6 . 1 1 60 60 PHE H H 60 7.934 7.934 7.774 0.160 17716 2065 1 6 . 1 1 61 61 ARG N N 61 119.587 119.587 118.408 1.179 17716 2066 1 6 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.891 0.146 17716 2067 1 6 . 1 1 61 61 ARG C C 61 180.051 180.051 178.204 1.847 17716 2068 1 6 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.039 0.793 17716 2069 1 6 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.468 2.129 17716 2070 1 6 . 1 1 61 61 ARG H H 61 8.133 8.133 8.119 0.014 17716 2071 1 6 . 1 1 62 62 LEU N N 62 121.008 121.008 118.499 2.509 17716 2072 1 6 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.252 -0.025 17716 2073 1 6 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.172 -0.937 17716 2074 1 6 . 1 1 62 62 LEU H H 62 8.517 8.517 7.925 0.592 17716 2075 1 6 . 1 1 70 70 HIS C C 70 177.253 177.253 176.572 0.681 17716 2076 1 6 . 1 1 71 71 SER N N 71 121.301 121.301 116.350 4.951 17716 2077 1 6 . 1 1 71 71 SER C C 71 173.461 173.461 174.619 -1.158 17716 2078 1 6 . 1 1 71 71 SER CA C 71 58.259 58.259 58.535 -0.276 17716 2079 1 6 . 1 1 71 71 SER H H 71 8.652 8.652 8.173 0.479 17716 2080 1 6 . 1 1 72 72 GLU N N 72 122.601 122.601 127.056 -4.455 17716 2081 1 6 . 1 1 72 72 GLU C C 72 176.916 176.916 177.677 -0.761 17716 2082 1 6 . 1 1 72 72 GLU CA C 72 54.781 54.781 58.511 -3.730 17716 2083 1 6 . 1 1 72 72 GLU CB C 72 30.008 30.008 28.951 1.058 17716 2084 1 6 . 1 1 72 72 GLU H H 72 8.705 8.705 8.748 -0.043 17716 2085 1 6 . 1 1 73 73 GLY N N 73 110.370 110.370 110.386 -0.016 17716 2086 1 6 . 1 1 73 73 GLY C C 73 173.736 173.736 175.444 -1.708 17716 2087 1 6 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.490 -0.226 17716 2088 1 6 . 1 1 73 73 GLY H H 73 8.441 8.441 8.186 0.255 17716 2089 1 7 . 1 1 2 2 ASP N N 2 117.290 117.290 122.242 -4.952 17716 2090 1 7 . 1 1 2 2 ASP CA C 2 55.038 55.038 53.220 1.818 17716 2091 1 7 . 1 1 2 2 ASP H H 2 8.582 8.582 7.776 0.806 17716 2092 1 7 . 1 1 3 3 MET N N 3 117.021 117.021 115.813 1.208 17716 2093 1 7 . 1 1 3 3 MET CA C 3 58.045 58.045 57.771 0.274 17716 2094 1 7 . 1 1 3 3 MET H H 3 8.539 8.539 8.375 0.164 17716 2095 1 7 . 1 1 4 4 SER N N 4 121.274 121.274 115.685 5.589 17716 2096 1 7 . 1 1 4 4 SER C C 4 176.458 176.458 174.297 2.161 17716 2097 1 7 . 1 1 4 4 SER CA C 4 59.826 59.826 59.208 0.619 17716 2098 1 7 . 1 1 4 4 SER H H 4 8.699 8.699 7.982 0.717 17716 2099 1 7 . 1 1 5 5 ASN N N 5 115.377 115.377 117.872 -2.495 17716 2100 1 7 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.437 -0.223 17716 2101 1 7 . 1 1 5 5 ASN H H 5 8.125 8.125 8.228 -0.103 17716 2102 1 7 . 1 1 6 6 VAL N N 6 121.274 121.274 119.271 2.003 17716 2103 1 7 . 1 1 6 6 VAL C C 6 175.755 175.755 176.195 -0.440 17716 2104 1 7 . 1 1 6 6 VAL CA C 6 63.534 63.534 64.073 -0.539 17716 2105 1 7 . 1 1 6 6 VAL H H 6 7.572 7.572 8.261 -0.689 17716 2106 1 7 . 1 1 7 7 VAL N N 7 125.259 125.259 122.033 3.226 17716 2107 1 7 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.500 -0.204 17716 2108 1 7 . 1 1 7 7 VAL C C 7 175.602 175.602 174.201 1.401 17716 2109 1 7 . 1 1 7 7 VAL CA C 7 63.725 63.725 59.741 3.984 17716 2110 1 7 . 1 1 7 7 VAL CB C 7 32.784 32.784 34.036 -1.252 17716 2111 1 7 . 1 1 7 7 VAL H H 7 8.572 8.572 7.860 0.712 17716 2112 1 7 . 1 1 8 8 LYS N N 8 121.875 121.875 120.729 1.146 17716 2113 1 7 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.463 -0.125 17716 2114 1 7 . 1 1 8 8 LYS C C 8 172.743 172.743 175.144 -2.401 17716 2115 1 7 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.675 -0.168 17716 2116 1 7 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.942 2.234 17716 2117 1 7 . 1 1 8 8 LYS H H 8 7.437 7.437 8.394 -0.957 17716 2118 1 7 . 1 1 9 9 THR N N 9 121.187 121.187 116.262 4.925 17716 2119 1 7 . 1 1 9 9 THR HA H 9 5.106 5.106 4.825 0.281 17716 2120 1 7 . 1 1 9 9 THR C C 9 173.660 173.660 173.152 0.508 17716 2121 1 7 . 1 1 9 9 THR CA C 9 61.928 61.928 60.999 0.929 17716 2122 1 7 . 1 1 9 9 THR CB C 9 71.703 71.703 70.633 1.070 17716 2123 1 7 . 1 1 9 9 THR H H 9 8.041 8.041 7.991 0.050 17716 2124 1 7 . 1 1 10 10 TYR N N 10 123.795 123.795 123.195 0.600 17716 2125 1 7 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.708 0.078 17716 2126 1 7 . 1 1 10 10 TYR C C 10 174.684 174.684 174.643 0.041 17716 2127 1 7 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.874 -0.526 17716 2128 1 7 . 1 1 10 10 TYR CB C 10 40.274 40.274 40.965 -0.691 17716 2129 1 7 . 1 1 10 10 TYR H H 10 9.078 9.078 8.178 0.900 17716 2130 1 7 . 1 1 11 11 ASP N N 11 123.002 123.002 125.608 -2.606 17716 2131 1 7 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.465 0.290 17716 2132 1 7 . 1 1 11 11 ASP C C 11 176.137 176.137 175.778 0.359 17716 2133 1 7 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.312 -0.646 17716 2134 1 7 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.087 1.608 17716 2135 1 7 . 1 1 11 11 ASP H H 11 8.814 8.814 8.783 0.031 17716 2136 1 7 . 1 1 12 12 LEU N N 12 121.896 121.896 123.314 -1.418 17716 2137 1 7 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.226 0.581 17716 2138 1 7 . 1 1 12 12 LEU C C 12 179.072 179.072 177.219 1.853 17716 2139 1 7 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.575 -1.635 17716 2140 1 7 . 1 1 12 12 LEU CB C 12 40.984 40.984 43.190 -2.206 17716 2141 1 7 . 1 1 12 12 LEU H H 12 8.606 8.606 8.074 0.532 17716 2142 1 7 . 1 1 13 13 GLN N N 13 119.615 119.615 122.367 -2.752 17716 2143 1 7 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.187 -0.210 17716 2144 1 7 . 1 1 13 13 GLN C C 13 175.923 175.923 176.683 -0.760 17716 2145 1 7 . 1 1 13 13 GLN CA C 13 58.488 58.488 57.932 0.556 17716 2146 1 7 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.706 -0.436 17716 2147 1 7 . 1 1 13 13 GLN H H 13 8.360 8.360 8.522 -0.162 17716 2148 1 7 . 1 1 14 14 ASP N N 14 115.289 115.289 118.167 -2.878 17716 2149 1 7 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.647 -0.160 17716 2150 1 7 . 1 1 14 14 ASP C C 14 177.161 177.161 176.880 0.281 17716 2151 1 7 . 1 1 14 14 ASP CA C 14 53.405 53.405 52.972 0.433 17716 2152 1 7 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.376 -0.497 17716 2153 1 7 . 1 1 14 14 ASP H H 14 7.843 7.843 7.871 -0.028 17716 2154 1 7 . 1 1 15 15 GLY N N 15 107.917 107.917 106.774 1.143 17716 2155 1 7 . 1 1 15 15 GLY C C 15 174.333 174.333 174.268 0.065 17716 2156 1 7 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.811 -0.623 17716 2157 1 7 . 1 1 15 15 GLY H H 15 7.799 7.799 7.742 0.057 17716 2158 1 7 . 1 1 16 16 SER N N 16 116.054 116.054 116.958 -0.904 17716 2159 1 7 . 1 1 16 16 SER HA H 16 4.405 4.405 4.523 -0.118 17716 2160 1 7 . 1 1 16 16 SER C C 16 172.146 172.146 172.999 -0.853 17716 2161 1 7 . 1 1 16 16 SER CA C 16 58.450 58.450 59.074 -0.624 17716 2162 1 7 . 1 1 16 16 SER CB C 16 64.517 64.517 64.642 -0.125 17716 2163 1 7 . 1 1 16 16 SER H H 16 7.927 7.927 7.685 0.242 17716 2164 1 7 . 1 1 17 17 LYS N N 17 117.434 117.434 119.536 -2.102 17716 2165 1 7 . 1 1 17 17 LYS HA H 17 5.183 5.183 4.916 0.267 17716 2166 1 7 . 1 1 17 17 LYS C C 17 175.724 175.724 174.962 0.762 17716 2167 1 7 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.730 -0.681 17716 2168 1 7 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.366 1.302 17716 2169 1 7 . 1 1 17 17 LYS H H 17 9.127 9.127 8.193 0.934 17716 2170 1 7 . 1 1 18 18 VAL N N 18 117.543 117.543 122.067 -4.524 17716 2171 1 7 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.962 0.053 17716 2172 1 7 . 1 1 18 18 VAL C C 18 183.445 183.445 175.708 7.737 17716 2173 1 7 . 1 1 18 18 VAL CA C 18 58.679 58.679 60.283 -1.604 17716 2174 1 7 . 1 1 18 18 VAL CB C 18 34.509 34.509 32.725 1.784 17716 2175 1 7 . 1 1 18 18 VAL H H 18 8.580 8.580 8.321 0.259 17716 2176 1 7 . 1 1 19 19 HIS N N 19 128.371 128.371 121.705 6.666 17716 2177 1 7 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.092 -0.086 17716 2178 1 7 . 1 1 19 19 HIS C C 19 174.302 174.302 173.269 1.033 17716 2179 1 7 . 1 1 19 19 HIS CA C 19 54.590 54.590 53.728 0.862 17716 2180 1 7 . 1 1 19 19 HIS CB C 19 33.087 33.087 31.609 1.478 17716 2181 1 7 . 1 1 19 19 HIS H H 19 8.901 8.901 9.044 -0.143 17716 2182 1 7 . 1 1 20 20 VAL N N 20 123.150 123.150 120.149 3.001 17716 2183 1 7 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.584 -0.138 17716 2184 1 7 . 1 1 20 20 VAL C C 20 176.045 176.045 173.605 2.440 17716 2185 1 7 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.545 0.963 17716 2186 1 7 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.711 -1.097 17716 2187 1 7 . 1 1 20 20 VAL H H 20 9.351 9.351 8.009 1.342 17716 2188 1 7 . 1 1 21 21 PHE N N 21 124.942 124.942 123.512 1.430 17716 2189 1 7 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.789 0.097 17716 2190 1 7 . 1 1 21 21 PHE C C 21 178.613 178.613 177.663 0.950 17716 2191 1 7 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.147 1.571 17716 2192 1 7 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.945 0.724 17716 2193 1 7 . 1 1 21 21 PHE H H 21 9.324 9.324 8.478 0.846 17716 2194 1 7 . 1 1 22 22 LYS N N 22 122.104 122.104 121.236 0.868 17716 2195 1 7 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.158 -0.219 17716 2196 1 7 . 1 1 22 22 LYS C C 22 175.969 175.969 176.644 -0.675 17716 2197 1 7 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.662 1.202 17716 2198 1 7 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.241 0.373 17716 2199 1 7 . 1 1 22 22 LYS H H 22 8.411 8.411 8.702 -0.291 17716 2200 1 7 . 1 1 23 23 ASP N N 23 114.797 114.797 117.093 -2.296 17716 2201 1 7 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.612 -0.123 17716 2202 1 7 . 1 1 23 23 ASP C C 23 176.794 176.794 176.824 -0.030 17716 2203 1 7 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.457 -0.052 17716 2204 1 7 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.527 -0.885 17716 2205 1 7 . 1 1 23 23 ASP H H 23 8.006 8.006 8.219 -0.213 17716 2206 1 7 . 1 1 24 24 GLY N N 24 109.105 109.105 106.807 2.298 17716 2207 1 7 . 1 1 24 24 GLY C C 24 173.844 173.844 174.037 -0.193 17716 2208 1 7 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.414 -0.418 17716 2209 1 7 . 1 1 24 24 GLY H H 24 8.346 8.346 7.539 0.807 17716 2210 1 7 . 1 1 25 25 LYS N N 25 117.557 117.557 120.442 -2.885 17716 2211 1 7 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.399 -0.045 17716 2212 1 7 . 1 1 25 25 LYS C C 25 175.862 175.862 176.223 -0.361 17716 2213 1 7 . 1 1 25 25 LYS CA C 25 56.178 56.178 55.792 0.386 17716 2214 1 7 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.294 0.346 17716 2215 1 7 . 1 1 25 25 LYS H H 25 7.584 7.584 7.934 -0.350 17716 2216 1 7 . 1 1 26 26 MET N N 26 116.628 116.628 119.784 -3.156 17716 2217 1 7 . 1 1 26 26 MET HA H 26 5.995 5.995 4.529 1.466 17716 2218 1 7 . 1 1 26 26 MET C C 26 175.724 175.724 176.504 -0.780 17716 2219 1 7 . 1 1 26 26 MET CA C 26 55.469 55.469 56.539 -1.070 17716 2220 1 7 . 1 1 26 26 MET CB C 26 36.562 36.562 34.358 2.204 17716 2221 1 7 . 1 1 26 26 MET H H 26 8.599 8.599 8.685 -0.086 17716 2222 1 7 . 1 1 27 27 GLY N N 27 104.570 104.570 105.917 -1.347 17716 2223 1 7 . 1 1 27 27 GLY C C 27 183.552 183.552 172.827 10.725 17716 2224 1 7 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.921 -0.460 17716 2225 1 7 . 1 1 27 27 GLY H H 27 9.063 9.063 8.281 0.782 17716 2226 1 7 . 1 1 28 28 MET N N 28 119.860 119.860 124.884 -5.024 17716 2227 1 7 . 1 1 28 28 MET HA H 28 5.302 5.302 4.607 0.695 17716 2228 1 7 . 1 1 28 28 MET C C 28 173.431 173.431 174.576 -1.145 17716 2229 1 7 . 1 1 28 28 MET CA C 28 52.106 52.106 55.769 -3.663 17716 2230 1 7 . 1 1 28 28 MET CB C 28 31.508 31.508 34.913 -3.405 17716 2231 1 7 . 1 1 28 28 MET H H 28 8.751 8.751 8.995 -0.244 17716 2232 1 7 . 1 1 29 29 GLU N N 29 123.440 123.440 125.751 -2.311 17716 2233 1 7 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.976 0.031 17716 2234 1 7 . 1 1 29 29 GLU C C 29 175.479 175.479 174.836 0.643 17716 2235 1 7 . 1 1 29 29 GLU CA C 29 54.099 54.099 55.429 -1.330 17716 2236 1 7 . 1 1 29 29 GLU CB C 29 34.430 34.430 32.622 1.808 17716 2237 1 7 . 1 1 29 29 GLU H H 29 8.904 8.904 8.406 0.498 17716 2238 1 7 . 1 1 30 30 ASN N N 30 123.219 123.219 125.015 -1.796 17716 2239 1 7 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.911 -0.288 17716 2240 1 7 . 1 1 30 30 ASN C C 30 176.886 176.886 176.920 -0.034 17716 2241 1 7 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.883 -1.465 17716 2242 1 7 . 1 1 30 30 ASN CB C 30 39.168 39.168 40.146 -0.978 17716 2243 1 7 . 1 1 30 30 ASN H H 30 9.339 9.339 8.955 0.384 17716 2244 1 7 . 1 1 31 31 LYS N N 31 116.491 116.491 119.917 -3.426 17716 2245 1 7 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.000 -0.058 17716 2246 1 7 . 1 1 31 31 LYS C C 31 175.663 175.663 176.895 -1.232 17716 2247 1 7 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.820 -0.714 17716 2248 1 7 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.997 -0.568 17716 2249 1 7 . 1 1 31 31 LYS H H 31 8.512 8.512 8.647 -0.135 17716 2250 1 7 . 1 1 32 32 PHE N N 32 117.885 117.885 118.395 -0.510 17716 2251 1 7 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.457 0.298 17716 2252 1 7 . 1 1 32 32 PHE C C 32 176.060 176.060 176.036 0.024 17716 2253 1 7 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.525 -0.948 17716 2254 1 7 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.540 0.312 17716 2255 1 7 . 1 1 32 32 PHE H H 32 7.507 7.507 7.912 -0.405 17716 2256 1 7 . 1 1 33 33 GLY N N 33 108.245 108.245 108.569 -0.324 17716 2257 1 7 . 1 1 33 33 GLY C C 33 173.828 173.828 173.711 0.117 17716 2258 1 7 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.657 -0.011 17716 2259 1 7 . 1 1 33 33 GLY H H 33 8.062 8.062 8.282 -0.220 17716 2260 1 7 . 1 1 34 34 LYS N N 34 117.724 117.724 120.560 -2.836 17716 2261 1 7 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.472 0.170 17716 2262 1 7 . 1 1 34 34 LYS C C 34 175.862 175.862 175.489 0.373 17716 2263 1 7 . 1 1 34 34 LYS CA C 34 53.061 53.061 55.328 -2.267 17716 2264 1 7 . 1 1 34 34 LYS CB C 34 34.193 34.193 34.447 -0.254 17716 2265 1 7 . 1 1 34 34 LYS H H 34 7.561 7.561 7.581 -0.020 17716 2266 1 7 . 1 1 35 35 SER N N 35 117.079 117.079 120.294 -3.215 17716 2267 1 7 . 1 1 35 35 SER HA H 35 5.001 5.001 4.766 0.235 17716 2268 1 7 . 1 1 35 35 SER C C 35 174.210 174.210 174.278 -0.068 17716 2269 1 7 . 1 1 35 35 SER CA C 35 57.953 57.953 58.707 -0.754 17716 2270 1 7 . 1 1 35 35 SER CB C 35 64.043 64.043 63.625 0.418 17716 2271 1 7 . 1 1 35 35 SER H H 35 8.588 8.588 8.549 0.039 17716 2272 1 7 . 1 1 36 36 MET N N 36 117.966 117.966 123.238 -5.272 17716 2273 1 7 . 1 1 36 36 MET HA H 36 4.765 4.765 4.537 0.228 17716 2274 1 7 . 1 1 36 36 MET C C 36 173.461 173.461 175.410 -1.949 17716 2275 1 7 . 1 1 36 36 MET CA C 36 54.055 54.055 53.724 0.331 17716 2276 1 7 . 1 1 36 36 MET CB C 36 36.009 36.009 35.041 0.968 17716 2277 1 7 . 1 1 36 36 MET H H 36 8.044 8.044 8.419 -0.375 17716 2278 1 7 . 1 1 37 37 ASN N N 37 122.101 122.101 122.989 -0.888 17716 2279 1 7 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.741 -0.046 17716 2280 1 7 . 1 1 37 37 ASN C C 37 175.770 175.770 174.633 1.137 17716 2281 1 7 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.163 0.854 17716 2282 1 7 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.774 2.210 17716 2283 1 7 . 1 1 37 37 ASN H H 37 8.753 8.753 8.707 0.046 17716 2284 1 7 . 1 1 38 38 MET N N 38 122.627 122.627 127.221 -4.594 17716 2285 1 7 . 1 1 38 38 MET HA H 38 4.623 4.623 4.790 -0.167 17716 2286 1 7 . 1 1 38 38 MET CA C 38 54.093 54.093 52.896 1.197 17716 2287 1 7 . 1 1 38 38 MET CB C 38 38.708 38.708 33.558 5.150 17716 2288 1 7 . 1 1 38 38 MET H H 38 8.133 8.133 7.937 0.196 17716 2289 1 7 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.190 0.090 17716 2290 1 7 . 1 1 39 39 PRO C C 39 175.831 175.831 176.289 -0.458 17716 2291 1 7 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.885 -0.231 17716 2292 1 7 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.178 0.278 17716 2293 1 7 . 1 1 40 40 GLU N N 40 120.437 120.437 124.828 -4.391 17716 2294 1 7 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.066 -0.370 17716 2295 1 7 . 1 1 40 40 GLU C C 40 177.757 177.757 177.717 0.040 17716 2296 1 7 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.523 0.277 17716 2297 1 7 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.525 0.483 17716 2298 1 7 . 1 1 40 40 GLU H H 40 8.322 8.322 8.477 -0.155 17716 2299 1 7 . 1 1 41 41 GLY N N 41 112.092 112.092 115.575 -3.483 17716 2300 1 7 . 1 1 41 41 GLY C C 41 173.935 173.935 174.870 -0.935 17716 2301 1 7 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.865 -0.060 17716 2302 1 7 . 1 1 41 41 GLY H H 41 9.188 9.188 8.502 0.686 17716 2303 1 7 . 1 1 42 42 LYS N N 42 120.325 120.325 123.568 -3.243 17716 2304 1 7 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.248 0.000 17716 2305 1 7 . 1 1 42 42 LYS C C 42 175.755 175.755 176.403 -0.648 17716 2306 1 7 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.830 -0.132 17716 2307 1 7 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.174 1.677 17716 2308 1 7 . 1 1 42 42 LYS H H 42 6.967 6.967 7.772 -0.805 17716 2309 1 7 . 1 1 43 43 VAL N N 43 124.724 124.724 122.501 2.223 17716 2310 1 7 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.681 0.296 17716 2311 1 7 . 1 1 43 43 VAL C C 43 175.770 175.770 175.841 -0.071 17716 2312 1 7 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.759 -1.149 17716 2313 1 7 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.817 0.165 17716 2314 1 7 . 1 1 43 43 VAL H H 43 8.572 8.572 8.570 0.002 17716 2315 1 7 . 1 1 44 44 MET N N 44 127.278 127.278 128.174 -0.896 17716 2316 1 7 . 1 1 44 44 MET HA H 44 4.545 4.545 4.794 -0.249 17716 2317 1 7 . 1 1 44 44 MET C C 44 173.522 173.522 174.725 -1.203 17716 2318 1 7 . 1 1 44 44 MET CA C 44 53.558 53.558 54.576 -1.018 17716 2319 1 7 . 1 1 44 44 MET CB C 44 34.351 34.351 35.846 -1.495 17716 2320 1 7 . 1 1 44 44 MET H H 44 8.963 8.963 8.898 0.065 17716 2321 1 7 . 1 1 45 45 GLU N N 45 122.374 122.374 122.349 0.025 17716 2322 1 7 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.290 -0.181 17716 2323 1 7 . 1 1 45 45 GLU C C 45 176.320 176.320 176.486 -0.166 17716 2324 1 7 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.586 1.157 17716 2325 1 7 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.690 -0.708 17716 2326 1 7 . 1 1 45 45 GLU H H 45 8.668 8.668 8.651 0.017 17716 2327 1 7 . 1 1 46 46 THR N N 46 116.696 116.696 117.426 -0.730 17716 2328 1 7 . 1 1 46 46 THR HA H 46 4.757 4.757 4.988 -0.231 17716 2329 1 7 . 1 1 46 46 THR C C 46 176.657 176.657 176.712 -0.055 17716 2330 1 7 . 1 1 46 46 THR CA C 46 61.317 61.317 60.846 0.471 17716 2331 1 7 . 1 1 46 46 THR CB C 46 70.203 70.203 70.872 -0.669 17716 2332 1 7 . 1 1 46 46 THR H H 46 9.083 9.083 8.160 0.923 17716 2333 1 7 . 1 1 47 47 ARG N N 47 119.546 119.546 121.542 -1.996 17716 2334 1 7 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.059 -0.043 17716 2335 1 7 . 1 1 47 47 ARG C C 47 176.519 176.519 177.509 -0.990 17716 2336 1 7 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.176 0.115 17716 2337 1 7 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.999 -0.307 17716 2338 1 7 . 1 1 47 47 ARG H H 47 8.580 8.580 8.439 0.141 17716 2339 1 7 . 1 1 48 48 ASP N N 48 114.579 114.579 116.299 -1.720 17716 2340 1 7 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.650 0.059 17716 2341 1 7 . 1 1 48 48 ASP C C 48 176.519 176.519 176.812 -0.293 17716 2342 1 7 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.246 -0.803 17716 2343 1 7 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.584 -0.152 17716 2344 1 7 . 1 1 48 48 ASP H H 48 7.884 7.884 8.041 -0.157 17716 2345 1 7 . 1 1 49 49 GLY N N 49 107.958 107.958 108.994 -1.036 17716 2346 1 7 . 1 1 49 49 GLY C C 49 174.547 174.547 174.199 0.348 17716 2347 1 7 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.545 -0.281 17716 2348 1 7 . 1 1 49 49 GLY H H 49 7.838 7.838 8.247 -0.409 17716 2349 1 7 . 1 1 50 50 THR N N 50 118.527 118.527 116.707 1.820 17716 2350 1 7 . 1 1 50 50 THR HA H 50 4.100 4.100 4.217 -0.117 17716 2351 1 7 . 1 1 50 50 THR C C 50 173.339 173.339 173.796 -0.457 17716 2352 1 7 . 1 1 50 50 THR CA C 50 63.381 63.381 62.477 0.904 17716 2353 1 7 . 1 1 50 50 THR CB C 50 68.781 68.781 69.372 -0.591 17716 2354 1 7 . 1 1 50 50 THR H H 50 7.783 7.783 7.739 0.044 17716 2355 1 7 . 1 1 51 51 LYS N N 51 125.284 125.284 130.672 -5.388 17716 2356 1 7 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.333 0.738 17716 2357 1 7 . 1 1 51 51 LYS C C 51 176.137 176.137 175.932 0.205 17716 2358 1 7 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.556 -1.469 17716 2359 1 7 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.518 0.806 17716 2360 1 7 . 1 1 51 51 LYS H H 51 8.569 8.569 8.674 -0.105 17716 2361 1 7 . 1 1 52 52 ILE N N 52 123.781 123.781 123.863 -0.082 17716 2362 1 7 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.466 -0.294 17716 2363 1 7 . 1 1 52 52 ILE C C 52 174.730 174.730 174.523 0.207 17716 2364 1 7 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.638 -0.079 17716 2365 1 7 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.283 1.570 17716 2366 1 7 . 1 1 52 52 ILE H H 52 8.887 8.887 8.530 0.357 17716 2367 1 7 . 1 1 53 53 ILE N N 53 128.421 128.421 125.804 2.617 17716 2368 1 7 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.289 -0.208 17716 2369 1 7 . 1 1 53 53 ILE C C 53 176.412 176.412 175.522 0.890 17716 2370 1 7 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.358 0.118 17716 2371 1 7 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.633 -2.202 17716 2372 1 7 . 1 1 53 53 ILE H H 53 8.567 8.567 8.545 0.022 17716 2373 1 7 . 1 1 54 54 MET N N 54 126.582 126.582 127.779 -1.197 17716 2374 1 7 . 1 1 54 54 MET HA H 54 4.282 4.282 4.253 0.029 17716 2375 1 7 . 1 1 54 54 MET C C 54 174.547 174.547 175.407 -0.860 17716 2376 1 7 . 1 1 54 54 MET CA C 54 56.424 56.424 55.511 0.913 17716 2377 1 7 . 1 1 54 54 MET CB C 54 31.587 31.587 30.348 1.239 17716 2378 1 7 . 1 1 54 54 MET H H 54 8.886 8.886 8.886 0.000 17716 2379 1 7 . 1 1 55 55 LYS N N 55 106.838 106.838 126.420 -19.582 17716 2380 1 7 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.185 0.519 17716 2381 1 7 . 1 1 55 55 LYS C C 55 175.051 175.051 178.079 -3.028 17716 2382 1 7 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.955 -3.524 17716 2383 1 7 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.483 1.710 17716 2384 1 7 . 1 1 55 55 LYS H H 55 8.559 8.559 8.539 0.020 17716 2385 1 7 . 1 1 56 56 GLY N N 56 113.486 113.486 107.456 6.030 17716 2386 1 7 . 1 1 56 56 GLY C C 56 181.029 181.029 174.171 6.858 17716 2387 1 7 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.721 -0.260 17716 2388 1 7 . 1 1 56 56 GLY H H 56 9.317 9.317 8.639 0.678 17716 2389 1 7 . 1 1 57 57 ASN N N 57 112.557 112.557 118.612 -6.055 17716 2390 1 7 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.522 0.208 17716 2391 1 7 . 1 1 57 57 ASN C C 57 177.023 177.023 176.189 0.834 17716 2392 1 7 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.324 -0.346 17716 2393 1 7 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.843 -1.570 17716 2394 1 7 . 1 1 57 57 ASN H H 57 8.732 8.732 8.477 0.255 17716 2395 1 7 . 1 1 58 58 GLU N N 58 123.440 123.440 120.605 2.835 17716 2396 1 7 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.405 -0.031 17716 2397 1 7 . 1 1 58 58 GLU C C 58 176.244 176.244 177.068 -0.824 17716 2398 1 7 . 1 1 58 58 GLU CA C 58 54.743 54.743 54.856 -0.113 17716 2399 1 7 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.644 0.153 17716 2400 1 7 . 1 1 58 58 GLU H H 58 9.124 9.124 8.338 0.786 17716 2401 1 7 . 1 1 59 59 ILE N N 59 120.912 120.912 118.340 2.572 17716 2402 1 7 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.850 -0.223 17716 2403 1 7 . 1 1 59 59 ILE C C 59 177.360 177.360 176.939 0.421 17716 2404 1 7 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.815 1.018 17716 2405 1 7 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.627 0.199 17716 2406 1 7 . 1 1 59 59 ILE H H 59 7.703 7.703 7.686 0.017 17716 2407 1 7 . 1 1 60 60 PHE N N 60 119.669 119.669 121.826 -2.157 17716 2408 1 7 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.045 0.438 17716 2409 1 7 . 1 1 60 60 PHE C C 60 178.889 178.889 176.736 2.153 17716 2410 1 7 . 1 1 60 60 PHE CA C 60 60.514 60.514 61.353 -0.839 17716 2411 1 7 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.946 -0.883 17716 2412 1 7 . 1 1 60 60 PHE H H 60 7.934 7.934 8.001 -0.067 17716 2413 1 7 . 1 1 61 61 ARG N N 61 119.587 119.587 118.720 0.867 17716 2414 1 7 . 1 1 61 61 ARG HA H 61 4.037 4.037 4.054 -0.017 17716 2415 1 7 . 1 1 61 61 ARG C C 61 180.051 180.051 178.201 1.850 17716 2416 1 7 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.513 0.319 17716 2417 1 7 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.140 2.457 17716 2418 1 7 . 1 1 61 61 ARG H H 61 8.133 8.133 8.053 0.080 17716 2419 1 7 . 1 1 62 62 LEU N N 62 121.008 121.008 120.802 0.206 17716 2420 1 7 . 1 1 62 62 LEU CA C 62 57.227 57.227 58.019 -0.792 17716 2421 1 7 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.302 -1.066 17716 2422 1 7 . 1 1 62 62 LEU H H 62 8.517 8.517 8.101 0.416 17716 2423 1 7 . 1 1 70 70 HIS C C 70 177.253 177.253 175.636 1.617 17716 2424 1 7 . 1 1 71 71 SER N N 71 121.301 121.301 113.848 7.453 17716 2425 1 7 . 1 1 71 71 SER C C 71 173.461 173.461 173.134 0.327 17716 2426 1 7 . 1 1 71 71 SER CA C 71 58.259 58.259 59.239 -0.980 17716 2427 1 7 . 1 1 71 71 SER H H 71 8.652 8.652 6.923 1.729 17716 2428 1 7 . 1 1 72 72 GLU N N 72 122.601 122.601 120.203 2.398 17716 2429 1 7 . 1 1 72 72 GLU C C 72 176.916 176.916 174.638 2.278 17716 2430 1 7 . 1 1 72 72 GLU CA C 72 54.781 54.781 55.612 -0.831 17716 2431 1 7 . 1 1 72 72 GLU CB C 72 30.008 30.008 30.814 -0.806 17716 2432 1 7 . 1 1 72 72 GLU H H 72 8.705 8.705 8.503 0.202 17716 2433 1 7 . 1 1 73 73 GLY N N 73 110.370 110.370 108.768 1.602 17716 2434 1 7 . 1 1 73 73 GLY C C 73 173.736 173.736 175.170 -1.434 17716 2435 1 7 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.668 -0.404 17716 2436 1 7 . 1 1 73 73 GLY H H 73 8.441 8.441 9.020 -0.579 17716 2437 1 8 . 1 1 2 2 ASP N N 2 117.290 117.290 117.855 -0.565 17716 2438 1 8 . 1 1 2 2 ASP CA C 2 55.038 55.038 55.525 -0.487 17716 2439 1 8 . 1 1 2 2 ASP H H 2 8.582 8.582 8.198 0.384 17716 2440 1 8 . 1 1 3 3 MET N N 3 117.021 117.021 117.154 -0.133 17716 2441 1 8 . 1 1 3 3 MET CA C 3 58.045 58.045 57.249 0.796 17716 2442 1 8 . 1 1 3 3 MET H H 3 8.539 8.539 7.993 0.546 17716 2443 1 8 . 1 1 4 4 SER N N 4 121.274 121.274 112.647 8.627 17716 2444 1 8 . 1 1 4 4 SER C C 4 176.458 176.458 175.856 0.602 17716 2445 1 8 . 1 1 4 4 SER CA C 4 59.826 59.826 60.581 -0.755 17716 2446 1 8 . 1 1 4 4 SER H H 4 8.699 8.699 8.196 0.503 17716 2447 1 8 . 1 1 5 5 ASN N N 5 115.377 115.377 118.891 -3.514 17716 2448 1 8 . 1 1 5 5 ASN CA C 5 53.214 53.214 54.450 -1.236 17716 2449 1 8 . 1 1 5 5 ASN H H 5 8.125 8.125 7.534 0.591 17716 2450 1 8 . 1 1 6 6 VAL N N 6 121.274 121.274 121.497 -0.223 17716 2451 1 8 . 1 1 6 6 VAL C C 6 175.755 175.755 174.952 0.803 17716 2452 1 8 . 1 1 6 6 VAL CA C 6 63.534 63.534 63.445 0.089 17716 2453 1 8 . 1 1 6 6 VAL H H 6 7.572 7.572 7.615 -0.043 17716 2454 1 8 . 1 1 7 7 VAL N N 7 125.259 125.259 124.309 0.950 17716 2455 1 8 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.228 0.068 17716 2456 1 8 . 1 1 7 7 VAL C C 7 175.602 175.602 173.870 1.732 17716 2457 1 8 . 1 1 7 7 VAL CA C 7 63.725 63.725 61.973 1.752 17716 2458 1 8 . 1 1 7 7 VAL CB C 7 32.784 32.784 34.524 -1.740 17716 2459 1 8 . 1 1 7 7 VAL H H 7 8.572 8.572 8.053 0.519 17716 2460 1 8 . 1 1 8 8 LYS N N 8 121.875 121.875 128.685 -6.810 17716 2461 1 8 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.445 -0.107 17716 2462 1 8 . 1 1 8 8 LYS C C 8 172.743 172.743 174.237 -1.494 17716 2463 1 8 . 1 1 8 8 LYS CA C 8 55.507 55.507 56.068 -0.561 17716 2464 1 8 . 1 1 8 8 LYS CB C 8 36.176 36.176 34.831 1.345 17716 2465 1 8 . 1 1 8 8 LYS H H 8 7.437 7.437 8.615 -1.178 17716 2466 1 8 . 1 1 9 9 THR N N 9 121.187 121.187 120.849 0.338 17716 2467 1 8 . 1 1 9 9 THR HA H 9 5.106 5.106 4.855 0.251 17716 2468 1 8 . 1 1 9 9 THR C C 9 173.660 173.660 173.112 0.548 17716 2469 1 8 . 1 1 9 9 THR CA C 9 61.928 61.928 61.695 0.233 17716 2470 1 8 . 1 1 9 9 THR CB C 9 71.703 71.703 70.109 1.594 17716 2471 1 8 . 1 1 9 9 THR H H 9 8.041 8.041 7.838 0.203 17716 2472 1 8 . 1 1 10 10 TYR N N 10 123.795 123.795 125.395 -1.600 17716 2473 1 8 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.603 0.183 17716 2474 1 8 . 1 1 10 10 TYR C C 10 174.684 174.684 174.744 -0.060 17716 2475 1 8 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.557 -0.209 17716 2476 1 8 . 1 1 10 10 TYR CB C 10 40.274 40.274 38.632 1.642 17716 2477 1 8 . 1 1 10 10 TYR H H 10 9.078 9.078 8.067 1.011 17716 2478 1 8 . 1 1 11 11 ASP N N 11 123.002 123.002 125.852 -2.850 17716 2479 1 8 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.531 0.224 17716 2480 1 8 . 1 1 11 11 ASP C C 11 176.137 176.137 175.469 0.668 17716 2481 1 8 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.496 -0.830 17716 2482 1 8 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.541 1.154 17716 2483 1 8 . 1 1 11 11 ASP H H 11 8.814 8.814 8.949 -0.135 17716 2484 1 8 . 1 1 12 12 LEU N N 12 121.896 121.896 123.744 -1.848 17716 2485 1 8 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.247 0.560 17716 2486 1 8 . 1 1 12 12 LEU C C 12 179.072 179.072 178.421 0.651 17716 2487 1 8 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.526 -1.586 17716 2488 1 8 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.904 -1.920 17716 2489 1 8 . 1 1 12 12 LEU H H 12 8.606 8.606 8.128 0.478 17716 2490 1 8 . 1 1 13 13 GLN N N 13 119.615 119.615 122.252 -2.637 17716 2491 1 8 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.167 -0.190 17716 2492 1 8 . 1 1 13 13 GLN C C 13 175.923 175.923 176.488 -0.565 17716 2493 1 8 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.261 0.227 17716 2494 1 8 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.614 -0.344 17716 2495 1 8 . 1 1 13 13 GLN H H 13 8.360 8.360 8.523 -0.163 17716 2496 1 8 . 1 1 14 14 ASP N N 14 115.289 115.289 118.652 -3.363 17716 2497 1 8 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.677 -0.190 17716 2498 1 8 . 1 1 14 14 ASP C C 14 177.161 177.161 176.919 0.242 17716 2499 1 8 . 1 1 14 14 ASP CA C 14 53.405 53.405 54.045 -0.640 17716 2500 1 8 . 1 1 14 14 ASP CB C 14 39.879 39.879 39.741 0.138 17716 2501 1 8 . 1 1 14 14 ASP H H 14 7.843 7.843 8.099 -0.256 17716 2502 1 8 . 1 1 15 15 GLY N N 15 107.917 107.917 107.567 0.350 17716 2503 1 8 . 1 1 15 15 GLY C C 15 174.333 174.333 174.622 -0.289 17716 2504 1 8 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.980 -0.792 17716 2505 1 8 . 1 1 15 15 GLY H H 15 7.799 7.799 7.665 0.134 17716 2506 1 8 . 1 1 16 16 SER N N 16 116.054 116.054 118.249 -2.195 17716 2507 1 8 . 1 1 16 16 SER HA H 16 4.405 4.405 4.503 -0.098 17716 2508 1 8 . 1 1 16 16 SER C C 16 172.146 172.146 173.051 -0.905 17716 2509 1 8 . 1 1 16 16 SER CA C 16 58.450 58.450 58.375 0.075 17716 2510 1 8 . 1 1 16 16 SER CB C 16 64.517 64.517 64.022 0.495 17716 2511 1 8 . 1 1 16 16 SER H H 16 7.927 7.927 7.882 0.045 17716 2512 1 8 . 1 1 17 17 LYS N N 17 117.434 117.434 117.530 -0.096 17716 2513 1 8 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.003 0.180 17716 2514 1 8 . 1 1 17 17 LYS C C 17 175.724 175.724 175.622 0.102 17716 2515 1 8 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.648 -0.599 17716 2516 1 8 . 1 1 17 17 LYS CB C 17 37.668 37.668 35.502 2.166 17716 2517 1 8 . 1 1 17 17 LYS H H 17 9.127 9.127 7.742 1.385 17716 2518 1 8 . 1 1 18 18 VAL N N 18 117.543 117.543 121.828 -4.285 17716 2519 1 8 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.604 0.411 17716 2520 1 8 . 1 1 18 18 VAL C C 18 183.445 183.445 175.148 8.297 17716 2521 1 8 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.948 -3.269 17716 2522 1 8 . 1 1 18 18 VAL CB C 18 34.509 34.509 32.946 1.563 17716 2523 1 8 . 1 1 18 18 VAL H H 18 8.580 8.580 8.288 0.292 17716 2524 1 8 . 1 1 19 19 HIS N N 19 128.371 128.371 122.382 5.989 17716 2525 1 8 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.077 -0.071 17716 2526 1 8 . 1 1 19 19 HIS C C 19 174.302 174.302 173.377 0.925 17716 2527 1 8 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.437 0.153 17716 2528 1 8 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.239 0.848 17716 2529 1 8 . 1 1 19 19 HIS H H 19 8.901 8.901 8.728 0.173 17716 2530 1 8 . 1 1 20 20 VAL N N 20 123.150 123.150 121.889 1.261 17716 2531 1 8 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.519 -0.073 17716 2532 1 8 . 1 1 20 20 VAL C C 20 176.045 176.045 173.405 2.640 17716 2533 1 8 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.152 1.356 17716 2534 1 8 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.221 -0.607 17716 2535 1 8 . 1 1 20 20 VAL H H 20 9.351 9.351 7.725 1.626 17716 2536 1 8 . 1 1 21 21 PHE N N 21 124.942 124.942 121.598 3.344 17716 2537 1 8 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.580 0.306 17716 2538 1 8 . 1 1 21 21 PHE C C 21 178.613 178.613 177.695 0.918 17716 2539 1 8 . 1 1 21 21 PHE CA C 21 58.718 58.718 56.802 1.916 17716 2540 1 8 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.291 0.378 17716 2541 1 8 . 1 1 21 21 PHE H H 21 9.324 9.324 8.647 0.677 17716 2542 1 8 . 1 1 22 22 LYS N N 22 122.104 122.104 121.197 0.907 17716 2543 1 8 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.175 -0.236 17716 2544 1 8 . 1 1 22 22 LYS C C 22 175.969 175.969 176.792 -0.823 17716 2545 1 8 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.760 1.104 17716 2546 1 8 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.071 0.543 17716 2547 1 8 . 1 1 22 22 LYS H H 22 8.411 8.411 8.811 -0.400 17716 2548 1 8 . 1 1 23 23 ASP N N 23 114.797 114.797 117.558 -2.761 17716 2549 1 8 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.644 -0.155 17716 2550 1 8 . 1 1 23 23 ASP C C 23 176.794 176.794 176.021 0.773 17716 2551 1 8 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.709 -0.304 17716 2552 1 8 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.389 -0.747 17716 2553 1 8 . 1 1 23 23 ASP H H 23 8.006 8.006 8.176 -0.170 17716 2554 1 8 . 1 1 24 24 GLY N N 24 109.105 109.105 107.119 1.986 17716 2555 1 8 . 1 1 24 24 GLY C C 24 173.844 173.844 174.868 -1.024 17716 2556 1 8 . 1 1 24 24 GLY CA C 24 44.996 44.996 46.048 -1.052 17716 2557 1 8 . 1 1 24 24 GLY H H 24 8.346 8.346 7.502 0.844 17716 2558 1 8 . 1 1 25 25 LYS N N 25 117.557 117.557 121.082 -3.525 17716 2559 1 8 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.343 0.011 17716 2560 1 8 . 1 1 25 25 LYS C C 25 175.862 175.862 176.487 -0.625 17716 2561 1 8 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.764 -0.586 17716 2562 1 8 . 1 1 25 25 LYS CB C 25 33.640 33.640 32.994 0.646 17716 2563 1 8 . 1 1 25 25 LYS H H 25 7.584 7.584 8.168 -0.584 17716 2564 1 8 . 1 1 26 26 MET N N 26 116.628 116.628 120.436 -3.808 17716 2565 1 8 . 1 1 26 26 MET HA H 26 5.995 5.995 4.518 1.477 17716 2566 1 8 . 1 1 26 26 MET C C 26 175.724 175.724 176.283 -0.559 17716 2567 1 8 . 1 1 26 26 MET CA C 26 55.469 55.469 56.350 -0.881 17716 2568 1 8 . 1 1 26 26 MET CB C 26 36.562 36.562 34.923 1.639 17716 2569 1 8 . 1 1 26 26 MET H H 26 8.599 8.599 8.734 -0.135 17716 2570 1 8 . 1 1 27 27 GLY N N 27 104.570 104.570 106.282 -1.712 17716 2571 1 8 . 1 1 27 27 GLY C C 27 183.552 183.552 173.077 10.475 17716 2572 1 8 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.957 -0.496 17716 2573 1 8 . 1 1 27 27 GLY H H 27 9.063 9.063 8.321 0.742 17716 2574 1 8 . 1 1 28 28 MET N N 28 119.860 119.860 125.444 -5.584 17716 2575 1 8 . 1 1 28 28 MET HA H 28 5.302 5.302 4.627 0.675 17716 2576 1 8 . 1 1 28 28 MET C C 28 173.431 173.431 174.528 -1.097 17716 2577 1 8 . 1 1 28 28 MET CA C 28 52.106 52.106 54.414 -2.308 17716 2578 1 8 . 1 1 28 28 MET CB C 28 31.508 31.508 32.141 -0.633 17716 2579 1 8 . 1 1 28 28 MET H H 28 8.751 8.751 9.035 -0.284 17716 2580 1 8 . 1 1 29 29 GLU N N 29 123.440 123.440 126.082 -2.642 17716 2581 1 8 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.730 0.277 17716 2582 1 8 . 1 1 29 29 GLU C C 29 175.479 175.479 175.681 -0.202 17716 2583 1 8 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.863 -0.764 17716 2584 1 8 . 1 1 29 29 GLU CB C 29 34.430 34.430 30.513 3.917 17716 2585 1 8 . 1 1 29 29 GLU H H 29 8.904 8.904 8.090 0.814 17716 2586 1 8 . 1 1 30 30 ASN N N 30 123.219 123.219 123.787 -0.568 17716 2587 1 8 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.710 -0.087 17716 2588 1 8 . 1 1 30 30 ASN C C 30 176.886 176.886 175.955 0.931 17716 2589 1 8 . 1 1 30 30 ASN CA C 30 51.418 51.418 53.252 -1.833 17716 2590 1 8 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.703 -0.535 17716 2591 1 8 . 1 1 30 30 ASN H H 30 9.339 9.339 8.527 0.812 17716 2592 1 8 . 1 1 31 31 LYS N N 31 116.491 116.491 120.451 -3.960 17716 2593 1 8 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.157 -0.215 17716 2594 1 8 . 1 1 31 31 LYS C C 31 175.663 175.663 176.406 -0.743 17716 2595 1 8 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.535 0.571 17716 2596 1 8 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.231 0.198 17716 2597 1 8 . 1 1 31 31 LYS H H 31 8.512 8.512 8.600 -0.088 17716 2598 1 8 . 1 1 32 32 PHE N N 32 117.885 117.885 119.433 -1.548 17716 2599 1 8 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.503 0.252 17716 2600 1 8 . 1 1 32 32 PHE C C 32 176.060 176.060 176.066 -0.006 17716 2601 1 8 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.252 -0.675 17716 2602 1 8 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.888 -0.036 17716 2603 1 8 . 1 1 32 32 PHE H H 32 7.507 7.507 7.759 -0.252 17716 2604 1 8 . 1 1 33 33 GLY N N 33 108.245 108.245 106.762 1.483 17716 2605 1 8 . 1 1 33 33 GLY C C 33 173.828 173.828 173.670 0.158 17716 2606 1 8 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.294 0.352 17716 2607 1 8 . 1 1 33 33 GLY H H 33 8.062 8.062 7.740 0.322 17716 2608 1 8 . 1 1 34 34 LYS N N 34 117.724 117.724 118.120 -0.396 17716 2609 1 8 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.677 -0.035 17716 2610 1 8 . 1 1 34 34 LYS C C 34 175.862 175.862 174.651 1.211 17716 2611 1 8 . 1 1 34 34 LYS CA C 34 53.061 53.061 53.921 -0.860 17716 2612 1 8 . 1 1 34 34 LYS CB C 34 34.193 34.193 36.551 -2.358 17716 2613 1 8 . 1 1 34 34 LYS H H 34 7.561 7.561 7.406 0.155 17716 2614 1 8 . 1 1 35 35 SER N N 35 117.079 117.079 115.140 1.939 17716 2615 1 8 . 1 1 35 35 SER HA H 35 5.001 5.001 4.813 0.188 17716 2616 1 8 . 1 1 35 35 SER C C 35 174.210 174.210 174.056 0.154 17716 2617 1 8 . 1 1 35 35 SER CA C 35 57.953 57.953 57.472 0.481 17716 2618 1 8 . 1 1 35 35 SER CB C 35 64.043 64.043 65.029 -0.986 17716 2619 1 8 . 1 1 35 35 SER H H 35 8.588 8.588 8.404 0.184 17716 2620 1 8 . 1 1 36 36 MET N N 36 117.966 117.966 121.689 -3.723 17716 2621 1 8 . 1 1 36 36 MET HA H 36 4.765 4.765 4.641 0.124 17716 2622 1 8 . 1 1 36 36 MET C C 36 173.461 173.461 174.515 -1.054 17716 2623 1 8 . 1 1 36 36 MET CA C 36 54.055 54.055 54.039 0.016 17716 2624 1 8 . 1 1 36 36 MET CB C 36 36.009 36.009 35.478 0.531 17716 2625 1 8 . 1 1 36 36 MET H H 36 8.044 8.044 8.438 -0.394 17716 2626 1 8 . 1 1 37 37 ASN N N 37 122.101 122.101 124.110 -2.009 17716 2627 1 8 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.658 0.037 17716 2628 1 8 . 1 1 37 37 ASN C C 37 175.770 175.770 174.863 0.907 17716 2629 1 8 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.655 0.362 17716 2630 1 8 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.699 2.285 17716 2631 1 8 . 1 1 37 37 ASN H H 37 8.753 8.753 8.691 0.062 17716 2632 1 8 . 1 1 38 38 MET N N 38 122.627 122.627 127.254 -4.627 17716 2633 1 8 . 1 1 38 38 MET HA H 38 4.623 4.623 4.845 -0.222 17716 2634 1 8 . 1 1 38 38 MET CA C 38 54.093 54.093 52.714 1.379 17716 2635 1 8 . 1 1 38 38 MET CB C 38 38.708 38.708 34.251 4.457 17716 2636 1 8 . 1 1 38 38 MET H H 38 8.133 8.133 8.020 0.113 17716 2637 1 8 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.383 -0.103 17716 2638 1 8 . 1 1 39 39 PRO C C 39 175.831 175.831 176.504 -0.673 17716 2639 1 8 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.235 0.419 17716 2640 1 8 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.174 0.282 17716 2641 1 8 . 1 1 40 40 GLU N N 40 120.437 120.437 125.151 -4.714 17716 2642 1 8 . 1 1 40 40 GLU HA H 40 3.696 3.696 3.916 -0.220 17716 2643 1 8 . 1 1 40 40 GLU C C 40 177.757 177.757 177.976 -0.219 17716 2644 1 8 . 1 1 40 40 GLU CA C 40 57.800 57.800 58.165 -0.365 17716 2645 1 8 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.578 0.430 17716 2646 1 8 . 1 1 40 40 GLU H H 40 8.322 8.322 8.401 -0.079 17716 2647 1 8 . 1 1 41 41 GLY N N 41 112.092 112.092 114.258 -2.166 17716 2648 1 8 . 1 1 41 41 GLY C C 41 173.935 173.935 174.389 -0.454 17716 2649 1 8 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.941 -0.136 17716 2650 1 8 . 1 1 41 41 GLY H H 41 9.188 9.188 8.503 0.685 17716 2651 1 8 . 1 1 42 42 LYS N N 42 120.325 120.325 123.996 -3.671 17716 2652 1 8 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.273 -0.025 17716 2653 1 8 . 1 1 42 42 LYS C C 42 175.755 175.755 176.968 -1.213 17716 2654 1 8 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.156 0.542 17716 2655 1 8 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.570 1.281 17716 2656 1 8 . 1 1 42 42 LYS H H 42 6.967 6.967 7.716 -0.749 17716 2657 1 8 . 1 1 43 43 VAL N N 43 124.724 124.724 124.536 0.188 17716 2658 1 8 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.695 0.282 17716 2659 1 8 . 1 1 43 43 VAL C C 43 175.770 175.770 175.904 -0.134 17716 2660 1 8 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.119 -0.509 17716 2661 1 8 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.567 0.415 17716 2662 1 8 . 1 1 43 43 VAL H H 43 8.572 8.572 8.230 0.342 17716 2663 1 8 . 1 1 44 44 MET N N 44 127.278 127.278 127.375 -0.097 17716 2664 1 8 . 1 1 44 44 MET HA H 44 4.545 4.545 4.804 -0.259 17716 2665 1 8 . 1 1 44 44 MET C C 44 173.522 173.522 174.841 -1.319 17716 2666 1 8 . 1 1 44 44 MET CA C 44 53.558 53.558 54.520 -0.962 17716 2667 1 8 . 1 1 44 44 MET CB C 44 34.351 34.351 35.136 -0.785 17716 2668 1 8 . 1 1 44 44 MET H H 44 8.963 8.963 8.453 0.510 17716 2669 1 8 . 1 1 45 45 GLU N N 45 122.374 122.374 123.718 -1.344 17716 2670 1 8 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.137 -0.028 17716 2671 1 8 . 1 1 45 45 GLU C C 45 176.320 176.320 176.630 -0.310 17716 2672 1 8 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.669 1.074 17716 2673 1 8 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.460 -0.478 17716 2674 1 8 . 1 1 45 45 GLU H H 45 8.668 8.668 8.767 -0.099 17716 2675 1 8 . 1 1 46 46 THR N N 46 116.696 116.696 117.703 -1.007 17716 2676 1 8 . 1 1 46 46 THR HA H 46 4.757 4.757 4.981 -0.224 17716 2677 1 8 . 1 1 46 46 THR C C 46 176.657 176.657 177.086 -0.429 17716 2678 1 8 . 1 1 46 46 THR CA C 46 61.317 61.317 61.442 -0.125 17716 2679 1 8 . 1 1 46 46 THR CB C 46 70.203 70.203 70.743 -0.540 17716 2680 1 8 . 1 1 46 46 THR H H 46 9.083 9.083 8.323 0.760 17716 2681 1 8 . 1 1 47 47 ARG N N 47 119.546 119.546 121.463 -1.917 17716 2682 1 8 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.112 -0.096 17716 2683 1 8 . 1 1 47 47 ARG C C 47 176.519 176.519 177.249 -0.730 17716 2684 1 8 . 1 1 47 47 ARG CA C 47 59.291 59.291 58.944 0.346 17716 2685 1 8 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.664 0.028 17716 2686 1 8 . 1 1 47 47 ARG H H 47 8.580 8.580 8.456 0.124 17716 2687 1 8 . 1 1 48 48 ASP N N 48 114.579 114.579 116.878 -2.299 17716 2688 1 8 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.620 0.089 17716 2689 1 8 . 1 1 48 48 ASP C C 48 176.519 176.519 176.732 -0.213 17716 2690 1 8 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.201 -0.758 17716 2691 1 8 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.069 0.363 17716 2692 1 8 . 1 1 48 48 ASP H H 48 7.884 7.884 8.249 -0.365 17716 2693 1 8 . 1 1 49 49 GLY N N 49 107.958 107.958 108.201 -0.243 17716 2694 1 8 . 1 1 49 49 GLY C C 49 174.547 174.547 174.451 0.096 17716 2695 1 8 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.255 0.009 17716 2696 1 8 . 1 1 49 49 GLY H H 49 7.838 7.838 7.799 0.039 17716 2697 1 8 . 1 1 50 50 THR N N 50 118.527 118.527 117.844 0.683 17716 2698 1 8 . 1 1 50 50 THR HA H 50 4.100 4.100 4.208 -0.108 17716 2699 1 8 . 1 1 50 50 THR C C 50 173.339 173.339 173.914 -0.575 17716 2700 1 8 . 1 1 50 50 THR CA C 50 63.381 63.381 62.362 1.019 17716 2701 1 8 . 1 1 50 50 THR CB C 50 68.781 68.781 69.439 -0.658 17716 2702 1 8 . 1 1 50 50 THR H H 50 7.783 7.783 8.365 -0.582 17716 2703 1 8 . 1 1 51 51 LYS N N 51 125.284 125.284 130.763 -5.479 17716 2704 1 8 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.338 0.733 17716 2705 1 8 . 1 1 51 51 LYS C C 51 176.137 176.137 176.006 0.131 17716 2706 1 8 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.687 -1.600 17716 2707 1 8 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.723 0.601 17716 2708 1 8 . 1 1 51 51 LYS H H 51 8.569 8.569 8.690 -0.121 17716 2709 1 8 . 1 1 52 52 ILE N N 52 123.781 123.781 123.767 0.014 17716 2710 1 8 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.465 -0.293 17716 2711 1 8 . 1 1 52 52 ILE C C 52 174.730 174.730 174.615 0.115 17716 2712 1 8 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.716 -0.157 17716 2713 1 8 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.198 1.655 17716 2714 1 8 . 1 1 52 52 ILE H H 52 8.887 8.887 8.788 0.099 17716 2715 1 8 . 1 1 53 53 ILE N N 53 128.421 128.421 125.933 2.488 17716 2716 1 8 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.237 -0.156 17716 2717 1 8 . 1 1 53 53 ILE C C 53 176.412 176.412 175.787 0.625 17716 2718 1 8 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.372 0.104 17716 2719 1 8 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.559 -2.128 17716 2720 1 8 . 1 1 53 53 ILE H H 53 8.567 8.567 8.456 0.111 17716 2721 1 8 . 1 1 54 54 MET N N 54 126.582 126.582 126.549 0.033 17716 2722 1 8 . 1 1 54 54 MET HA H 54 4.282 4.282 4.340 -0.058 17716 2723 1 8 . 1 1 54 54 MET C C 54 174.547 174.547 175.713 -1.166 17716 2724 1 8 . 1 1 54 54 MET CA C 54 56.424 56.424 55.374 1.050 17716 2725 1 8 . 1 1 54 54 MET CB C 54 31.587 31.587 30.576 1.011 17716 2726 1 8 . 1 1 54 54 MET H H 54 8.886 8.886 8.744 0.142 17716 2727 1 8 . 1 1 55 55 LYS N N 55 106.838 106.838 126.988 -20.150 17716 2728 1 8 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.155 0.549 17716 2729 1 8 . 1 1 55 55 LYS C C 55 175.051 175.051 177.532 -2.481 17716 2730 1 8 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.998 -3.567 17716 2731 1 8 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.543 1.650 17716 2732 1 8 . 1 1 55 55 LYS H H 55 8.559 8.559 8.193 0.366 17716 2733 1 8 . 1 1 56 56 GLY N N 56 113.486 113.486 106.642 6.844 17716 2734 1 8 . 1 1 56 56 GLY C C 56 181.029 181.029 173.944 7.085 17716 2735 1 8 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.676 -0.215 17716 2736 1 8 . 1 1 56 56 GLY H H 56 9.317 9.317 8.493 0.824 17716 2737 1 8 . 1 1 57 57 ASN N N 57 112.557 112.557 119.556 -6.999 17716 2738 1 8 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.563 0.167 17716 2739 1 8 . 1 1 57 57 ASN C C 57 177.023 177.023 175.708 1.315 17716 2740 1 8 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.892 0.086 17716 2741 1 8 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.994 -1.721 17716 2742 1 8 . 1 1 57 57 ASN H H 57 8.732 8.732 8.011 0.721 17716 2743 1 8 . 1 1 58 58 GLU N N 58 123.440 123.440 120.207 3.233 17716 2744 1 8 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.378 -0.004 17716 2745 1 8 . 1 1 58 58 GLU C C 58 176.244 176.244 176.902 -0.658 17716 2746 1 8 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.845 -1.102 17716 2747 1 8 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.927 -0.130 17716 2748 1 8 . 1 1 58 58 GLU H H 58 9.124 9.124 8.438 0.686 17716 2749 1 8 . 1 1 59 59 ILE N N 59 120.912 120.912 119.586 1.326 17716 2750 1 8 . 1 1 59 59 ILE HA H 59 3.627 3.627 4.058 -0.431 17716 2751 1 8 . 1 1 59 59 ILE C C 59 177.360 177.360 176.824 0.536 17716 2752 1 8 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.326 1.507 17716 2753 1 8 . 1 1 59 59 ILE CB C 59 37.826 37.826 38.004 -0.178 17716 2754 1 8 . 1 1 59 59 ILE H H 59 7.703 7.703 7.992 -0.289 17716 2755 1 8 . 1 1 60 60 PHE N N 60 119.669 119.669 120.930 -1.261 17716 2756 1 8 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.367 0.116 17716 2757 1 8 . 1 1 60 60 PHE C C 60 178.889 178.889 176.184 2.705 17716 2758 1 8 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.372 0.142 17716 2759 1 8 . 1 1 60 60 PHE CB C 60 38.063 38.063 39.030 -0.967 17716 2760 1 8 . 1 1 60 60 PHE H H 60 7.934 7.934 8.323 -0.389 17716 2761 1 8 . 1 1 61 61 ARG N N 61 119.587 119.587 117.781 1.806 17716 2762 1 8 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.930 0.107 17716 2763 1 8 . 1 1 61 61 ARG C C 61 180.051 180.051 177.790 2.261 17716 2764 1 8 . 1 1 61 61 ARG CA C 61 58.832 58.832 57.471 1.361 17716 2765 1 8 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.117 2.480 17716 2766 1 8 . 1 1 61 61 ARG H H 61 8.133 8.133 7.482 0.651 17716 2767 1 8 . 1 1 62 62 LEU N N 62 121.008 121.008 121.491 -0.483 17716 2768 1 8 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.268 -0.041 17716 2769 1 8 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.053 -0.817 17716 2770 1 8 . 1 1 62 62 LEU H H 62 8.517 8.517 7.870 0.647 17716 2771 1 8 . 1 1 70 70 HIS C C 70 177.253 177.253 173.268 3.985 17716 2772 1 8 . 1 1 71 71 SER N N 71 121.301 121.301 111.656 9.645 17716 2773 1 8 . 1 1 71 71 SER C C 71 173.461 173.461 173.723 -0.262 17716 2774 1 8 . 1 1 71 71 SER CA C 71 58.259 58.259 58.280 -0.021 17716 2775 1 8 . 1 1 71 71 SER H H 71 8.652 8.652 7.740 0.912 17716 2776 1 8 . 1 1 72 72 GLU N N 72 122.601 122.601 122.190 0.411 17716 2777 1 8 . 1 1 72 72 GLU C C 72 176.916 176.916 177.297 -0.381 17716 2778 1 8 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.869 -2.088 17716 2779 1 8 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.953 0.055 17716 2780 1 8 . 1 1 72 72 GLU H H 72 8.705 8.705 8.354 0.351 17716 2781 1 8 . 1 1 73 73 GLY N N 73 110.370 110.370 111.780 -1.410 17716 2782 1 8 . 1 1 73 73 GLY C C 73 173.736 173.736 175.156 -1.420 17716 2783 1 8 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.163 0.101 17716 2784 1 8 . 1 1 73 73 GLY H H 73 8.441 8.441 8.683 -0.242 17716 2785 1 9 . 1 1 2 2 ASP N N 2 117.290 117.290 121.188 -3.898 17716 2786 1 9 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.643 0.395 17716 2787 1 9 . 1 1 2 2 ASP H H 2 8.582 8.582 8.181 0.401 17716 2788 1 9 . 1 1 3 3 MET N N 3 117.021 117.021 120.348 -3.327 17716 2789 1 9 . 1 1 3 3 MET CA C 3 58.045 58.045 57.670 0.374 17716 2790 1 9 . 1 1 3 3 MET H H 3 8.539 8.539 8.067 0.472 17716 2791 1 9 . 1 1 4 4 SER N N 4 121.274 121.274 115.286 5.988 17716 2792 1 9 . 1 1 4 4 SER C C 4 176.458 176.458 173.779 2.679 17716 2793 1 9 . 1 1 4 4 SER CA C 4 59.826 59.826 59.616 0.210 17716 2794 1 9 . 1 1 4 4 SER H H 4 8.699 8.699 7.968 0.731 17716 2795 1 9 . 1 1 5 5 ASN N N 5 115.377 115.377 116.604 -1.227 17716 2796 1 9 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.086 0.128 17716 2797 1 9 . 1 1 5 5 ASN H H 5 8.125 8.125 8.213 -0.088 17716 2798 1 9 . 1 1 6 6 VAL N N 6 121.274 121.274 118.807 2.467 17716 2799 1 9 . 1 1 6 6 VAL C C 6 175.755 175.755 176.386 -0.631 17716 2800 1 9 . 1 1 6 6 VAL CA C 6 63.534 63.534 62.448 1.086 17716 2801 1 9 . 1 1 6 6 VAL H H 6 7.572 7.572 7.977 -0.405 17716 2802 1 9 . 1 1 7 7 VAL N N 7 125.259 125.259 124.611 0.648 17716 2803 1 9 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.169 0.127 17716 2804 1 9 . 1 1 7 7 VAL C C 7 175.602 175.602 175.576 0.026 17716 2805 1 9 . 1 1 7 7 VAL CA C 7 63.725 63.725 60.821 2.904 17716 2806 1 9 . 1 1 7 7 VAL CB C 7 32.784 32.784 33.099 -0.314 17716 2807 1 9 . 1 1 7 7 VAL H H 7 8.572 8.572 7.973 0.599 17716 2808 1 9 . 1 1 8 8 LYS N N 8 121.875 121.875 120.779 1.096 17716 2809 1 9 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.451 -0.113 17716 2810 1 9 . 1 1 8 8 LYS C C 8 172.743 172.743 174.565 -1.822 17716 2811 1 9 . 1 1 8 8 LYS CA C 8 55.507 55.507 56.134 -0.627 17716 2812 1 9 . 1 1 8 8 LYS CB C 8 36.176 36.176 35.241 0.935 17716 2813 1 9 . 1 1 8 8 LYS H H 8 7.437 7.437 8.241 -0.804 17716 2814 1 9 . 1 1 9 9 THR N N 9 121.187 121.187 119.023 2.164 17716 2815 1 9 . 1 1 9 9 THR HA H 9 5.106 5.106 4.832 0.274 17716 2816 1 9 . 1 1 9 9 THR C C 9 173.660 173.660 173.123 0.537 17716 2817 1 9 . 1 1 9 9 THR CA C 9 61.928 61.928 62.064 -0.136 17716 2818 1 9 . 1 1 9 9 THR CB C 9 71.703 71.703 70.136 1.567 17716 2819 1 9 . 1 1 9 9 THR H H 9 8.041 8.041 7.987 0.054 17716 2820 1 9 . 1 1 10 10 TYR N N 10 123.795 123.795 126.275 -2.480 17716 2821 1 9 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.598 0.188 17716 2822 1 9 . 1 1 10 10 TYR C C 10 174.684 174.684 174.928 -0.244 17716 2823 1 9 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.202 0.146 17716 2824 1 9 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.103 1.171 17716 2825 1 9 . 1 1 10 10 TYR H H 10 9.078 9.078 8.723 0.355 17716 2826 1 9 . 1 1 11 11 ASP N N 11 123.002 123.002 126.348 -3.346 17716 2827 1 9 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.497 0.258 17716 2828 1 9 . 1 1 11 11 ASP C C 11 176.137 176.137 175.358 0.779 17716 2829 1 9 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.668 -1.002 17716 2830 1 9 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.453 1.242 17716 2831 1 9 . 1 1 11 11 ASP H H 11 8.814 8.814 8.913 -0.099 17716 2832 1 9 . 1 1 12 12 LEU N N 12 121.896 121.896 124.503 -2.607 17716 2833 1 9 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.237 0.570 17716 2834 1 9 . 1 1 12 12 LEU C C 12 179.072 179.072 177.946 1.126 17716 2835 1 9 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.250 -1.310 17716 2836 1 9 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.845 -1.861 17716 2837 1 9 . 1 1 12 12 LEU H H 12 8.606 8.606 8.323 0.283 17716 2838 1 9 . 1 1 13 13 GLN N N 13 119.615 119.615 120.581 -0.966 17716 2839 1 9 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.209 -0.232 17716 2840 1 9 . 1 1 13 13 GLN C C 13 175.923 175.923 176.889 -0.966 17716 2841 1 9 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.130 0.358 17716 2842 1 9 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.715 -0.445 17716 2843 1 9 . 1 1 13 13 GLN H H 13 8.360 8.360 8.445 -0.085 17716 2844 1 9 . 1 1 14 14 ASP N N 14 115.289 115.289 118.204 -2.915 17716 2845 1 9 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.635 -0.148 17716 2846 1 9 . 1 1 14 14 ASP C C 14 177.161 177.161 176.995 0.166 17716 2847 1 9 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.303 0.102 17716 2848 1 9 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.378 -0.499 17716 2849 1 9 . 1 1 14 14 ASP H H 14 7.843 7.843 8.250 -0.407 17716 2850 1 9 . 1 1 15 15 GLY N N 15 107.917 107.917 106.995 0.922 17716 2851 1 9 . 1 1 15 15 GLY C C 15 174.333 174.333 173.612 0.721 17716 2852 1 9 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.579 -0.391 17716 2853 1 9 . 1 1 15 15 GLY H H 15 7.799 7.799 7.691 0.108 17716 2854 1 9 . 1 1 16 16 SER N N 16 116.054 116.054 114.952 1.102 17716 2855 1 9 . 1 1 16 16 SER HA H 16 4.405 4.405 4.510 -0.105 17716 2856 1 9 . 1 1 16 16 SER C C 16 172.146 172.146 173.426 -1.280 17716 2857 1 9 . 1 1 16 16 SER CA C 16 58.450 58.450 57.894 0.556 17716 2858 1 9 . 1 1 16 16 SER CB C 16 64.517 64.517 65.161 -0.644 17716 2859 1 9 . 1 1 16 16 SER H H 16 7.927 7.927 7.663 0.264 17716 2860 1 9 . 1 1 17 17 LYS N N 17 117.434 117.434 119.138 -1.704 17716 2861 1 9 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.056 0.127 17716 2862 1 9 . 1 1 17 17 LYS C C 17 175.724 175.724 175.853 -0.129 17716 2863 1 9 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.362 -0.313 17716 2864 1 9 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.350 1.318 17716 2865 1 9 . 1 1 17 17 LYS H H 17 9.127 9.127 8.292 0.835 17716 2866 1 9 . 1 1 18 18 VAL N N 18 117.543 117.543 122.885 -5.342 17716 2867 1 9 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.566 0.449 17716 2868 1 9 . 1 1 18 18 VAL C C 18 183.445 183.445 175.612 7.833 17716 2869 1 9 . 1 1 18 18 VAL CA C 18 58.679 58.679 62.030 -3.351 17716 2870 1 9 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.028 1.481 17716 2871 1 9 . 1 1 18 18 VAL H H 18 8.580 8.580 8.254 0.326 17716 2872 1 9 . 1 1 19 19 HIS N N 19 128.371 128.371 123.463 4.908 17716 2873 1 9 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.142 -0.136 17716 2874 1 9 . 1 1 19 19 HIS C C 19 174.302 174.302 173.279 1.023 17716 2875 1 9 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.111 0.479 17716 2876 1 9 . 1 1 19 19 HIS CB C 19 33.087 33.087 31.622 1.465 17716 2877 1 9 . 1 1 19 19 HIS H H 19 8.901 8.901 9.307 -0.406 17716 2878 1 9 . 1 1 20 20 VAL N N 20 123.150 123.150 120.384 2.766 17716 2879 1 9 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.580 -0.134 17716 2880 1 9 . 1 1 20 20 VAL C C 20 176.045 176.045 173.587 2.458 17716 2881 1 9 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.620 0.888 17716 2882 1 9 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.702 -1.088 17716 2883 1 9 . 1 1 20 20 VAL H H 20 9.351 9.351 7.951 1.400 17716 2884 1 9 . 1 1 21 21 PHE N N 21 124.942 124.942 121.614 3.328 17716 2885 1 9 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.712 0.174 17716 2886 1 9 . 1 1 21 21 PHE C C 21 178.613 178.613 177.869 0.744 17716 2887 1 9 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.461 1.257 17716 2888 1 9 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.068 0.601 17716 2889 1 9 . 1 1 21 21 PHE H H 21 9.324 9.324 8.556 0.768 17716 2890 1 9 . 1 1 22 22 LYS N N 22 122.104 122.104 121.152 0.952 17716 2891 1 9 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.185 -0.246 17716 2892 1 9 . 1 1 22 22 LYS C C 22 175.969 175.969 177.040 -1.071 17716 2893 1 9 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.852 1.012 17716 2894 1 9 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.382 0.232 17716 2895 1 9 . 1 1 22 22 LYS H H 22 8.411 8.411 9.018 -0.607 17716 2896 1 9 . 1 1 23 23 ASP N N 23 114.797 114.797 117.062 -2.265 17716 2897 1 9 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.649 -0.160 17716 2898 1 9 . 1 1 23 23 ASP C C 23 176.794 176.794 176.715 0.079 17716 2899 1 9 . 1 1 23 23 ASP CA C 23 53.405 53.405 54.053 -0.649 17716 2900 1 9 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.405 -0.763 17716 2901 1 9 . 1 1 23 23 ASP H H 23 8.006 8.006 8.116 -0.110 17716 2902 1 9 . 1 1 24 24 GLY N N 24 109.105 109.105 107.802 1.303 17716 2903 1 9 . 1 1 24 24 GLY C C 24 173.844 173.844 173.750 0.094 17716 2904 1 9 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.230 -0.234 17716 2905 1 9 . 1 1 24 24 GLY H H 24 8.346 8.346 7.647 0.699 17716 2906 1 9 . 1 1 25 25 LYS N N 25 117.557 117.557 119.533 -1.976 17716 2907 1 9 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.336 0.018 17716 2908 1 9 . 1 1 25 25 LYS C C 25 175.862 175.862 175.923 -0.061 17716 2909 1 9 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.081 0.097 17716 2910 1 9 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.091 0.549 17716 2911 1 9 . 1 1 25 25 LYS H H 25 7.584 7.584 8.004 -0.420 17716 2912 1 9 . 1 1 26 26 MET N N 26 116.628 116.628 120.666 -4.038 17716 2913 1 9 . 1 1 26 26 MET HA H 26 5.995 5.995 4.547 1.448 17716 2914 1 9 . 1 1 26 26 MET C C 26 175.724 175.724 176.508 -0.784 17716 2915 1 9 . 1 1 26 26 MET CA C 26 55.469 55.469 56.432 -0.963 17716 2916 1 9 . 1 1 26 26 MET CB C 26 36.562 36.562 33.880 2.682 17716 2917 1 9 . 1 1 26 26 MET H H 26 8.599 8.599 8.609 -0.010 17716 2918 1 9 . 1 1 27 27 GLY N N 27 104.570 104.570 104.931 -0.361 17716 2919 1 9 . 1 1 27 27 GLY C C 27 183.552 183.552 173.042 10.510 17716 2920 1 9 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.869 -0.408 17716 2921 1 9 . 1 1 27 27 GLY H H 27 9.063 9.063 8.204 0.859 17716 2922 1 9 . 1 1 28 28 MET N N 28 119.860 119.860 122.654 -2.794 17716 2923 1 9 . 1 1 28 28 MET HA H 28 5.302 5.302 4.749 0.553 17716 2924 1 9 . 1 1 28 28 MET C C 28 173.431 173.431 175.635 -2.204 17716 2925 1 9 . 1 1 28 28 MET CA C 28 52.106 52.106 55.181 -3.075 17716 2926 1 9 . 1 1 28 28 MET CB C 28 31.508 31.508 33.413 -1.905 17716 2927 1 9 . 1 1 28 28 MET H H 28 8.751 8.751 8.678 0.073 17716 2928 1 9 . 1 1 29 29 GLU N N 29 123.440 123.440 121.132 2.308 17716 2929 1 9 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.883 0.124 17716 2930 1 9 . 1 1 29 29 GLU C C 29 175.479 175.479 175.277 0.202 17716 2931 1 9 . 1 1 29 29 GLU CA C 29 54.099 54.099 55.433 -1.334 17716 2932 1 9 . 1 1 29 29 GLU CB C 29 34.430 34.430 31.853 2.577 17716 2933 1 9 . 1 1 29 29 GLU H H 29 8.904 8.904 8.466 0.438 17716 2934 1 9 . 1 1 30 30 ASN N N 30 123.219 123.219 124.101 -0.882 17716 2935 1 9 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.685 -0.062 17716 2936 1 9 . 1 1 30 30 ASN C C 30 176.886 176.886 175.819 1.067 17716 2937 1 9 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.066 -0.648 17716 2938 1 9 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.686 -0.518 17716 2939 1 9 . 1 1 30 30 ASN H H 30 9.339 9.339 9.203 0.136 17716 2940 1 9 . 1 1 31 31 LYS N N 31 116.491 116.491 120.727 -4.236 17716 2941 1 9 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.078 -0.136 17716 2942 1 9 . 1 1 31 31 LYS C C 31 175.663 175.663 176.509 -0.846 17716 2943 1 9 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.575 -0.469 17716 2944 1 9 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.794 -0.364 17716 2945 1 9 . 1 1 31 31 LYS H H 31 8.512 8.512 8.784 -0.272 17716 2946 1 9 . 1 1 32 32 PHE N N 32 117.885 117.885 116.761 1.124 17716 2947 1 9 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.525 0.230 17716 2948 1 9 . 1 1 32 32 PHE C C 32 176.060 176.060 175.773 0.287 17716 2949 1 9 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.553 -0.977 17716 2950 1 9 . 1 1 32 32 PHE CB C 32 38.852 38.852 37.942 0.910 17716 2951 1 9 . 1 1 32 32 PHE H H 32 7.507 7.507 8.301 -0.794 17716 2952 1 9 . 1 1 33 33 GLY N N 33 108.245 108.245 106.512 1.733 17716 2953 1 9 . 1 1 33 33 GLY C C 33 173.828 173.828 173.923 -0.095 17716 2954 1 9 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.579 0.067 17716 2955 1 9 . 1 1 33 33 GLY H H 33 8.062 8.062 7.687 0.375 17716 2956 1 9 . 1 1 34 34 LYS N N 34 117.724 117.724 119.758 -2.034 17716 2957 1 9 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.484 0.158 17716 2958 1 9 . 1 1 34 34 LYS C C 34 175.862 175.862 176.190 -0.328 17716 2959 1 9 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.852 -1.791 17716 2960 1 9 . 1 1 34 34 LYS CB C 34 34.193 34.193 34.196 -0.003 17716 2961 1 9 . 1 1 34 34 LYS H H 34 7.561 7.561 7.862 -0.301 17716 2962 1 9 . 1 1 35 35 SER N N 35 117.079 117.079 114.718 2.361 17716 2963 1 9 . 1 1 35 35 SER HA H 35 5.001 5.001 4.624 0.377 17716 2964 1 9 . 1 1 35 35 SER C C 35 174.210 174.210 173.659 0.551 17716 2965 1 9 . 1 1 35 35 SER CA C 35 57.953 57.953 58.418 -0.465 17716 2966 1 9 . 1 1 35 35 SER CB C 35 64.043 64.043 64.311 -0.268 17716 2967 1 9 . 1 1 35 35 SER H H 35 8.588 8.588 8.457 0.131 17716 2968 1 9 . 1 1 36 36 MET N N 36 117.966 117.966 119.803 -1.837 17716 2969 1 9 . 1 1 36 36 MET HA H 36 4.765 4.765 4.537 0.228 17716 2970 1 9 . 1 1 36 36 MET C C 36 173.461 173.461 174.742 -1.281 17716 2971 1 9 . 1 1 36 36 MET CA C 36 54.055 54.055 54.186 -0.131 17716 2972 1 9 . 1 1 36 36 MET CB C 36 36.009 36.009 35.115 0.894 17716 2973 1 9 . 1 1 36 36 MET H H 36 8.044 8.044 8.332 -0.288 17716 2974 1 9 . 1 1 37 37 ASN N N 37 122.101 122.101 122.772 -0.671 17716 2975 1 9 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.484 0.211 17716 2976 1 9 . 1 1 37 37 ASN C C 37 175.770 175.770 174.839 0.931 17716 2977 1 9 . 1 1 37 37 ASN CA C 37 54.017 54.017 54.401 -0.384 17716 2978 1 9 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.996 1.988 17716 2979 1 9 . 1 1 37 37 ASN H H 37 8.753 8.753 8.438 0.315 17716 2980 1 9 . 1 1 38 38 MET N N 38 122.627 122.627 126.016 -3.389 17716 2981 1 9 . 1 1 38 38 MET HA H 38 4.623 4.623 4.773 -0.150 17716 2982 1 9 . 1 1 38 38 MET CA C 38 54.093 54.093 52.762 1.331 17716 2983 1 9 . 1 1 38 38 MET CB C 38 38.708 38.708 35.526 3.182 17716 2984 1 9 . 1 1 38 38 MET H H 38 8.133 8.133 8.333 -0.200 17716 2985 1 9 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.316 -0.036 17716 2986 1 9 . 1 1 39 39 PRO C C 39 175.831 175.831 176.339 -0.508 17716 2987 1 9 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.742 -0.088 17716 2988 1 9 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.075 0.381 17716 2989 1 9 . 1 1 40 40 GLU N N 40 120.437 120.437 123.367 -2.930 17716 2990 1 9 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.094 -0.398 17716 2991 1 9 . 1 1 40 40 GLU C C 40 177.757 177.757 177.415 0.342 17716 2992 1 9 . 1 1 40 40 GLU CA C 40 57.800 57.800 56.959 0.841 17716 2993 1 9 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.174 0.834 17716 2994 1 9 . 1 1 40 40 GLU H H 40 8.322 8.322 8.718 -0.396 17716 2995 1 9 . 1 1 41 41 GLY N N 41 112.092 112.092 113.990 -1.898 17716 2996 1 9 . 1 1 41 41 GLY C C 41 173.935 173.935 174.939 -1.004 17716 2997 1 9 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.868 -0.063 17716 2998 1 9 . 1 1 41 41 GLY H H 41 9.188 9.188 8.632 0.556 17716 2999 1 9 . 1 1 42 42 LYS N N 42 120.325 120.325 123.390 -3.065 17716 3000 1 9 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.273 -0.025 17716 3001 1 9 . 1 1 42 42 LYS C C 42 175.755 175.755 176.612 -0.857 17716 3002 1 9 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.659 0.039 17716 3003 1 9 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.069 1.782 17716 3004 1 9 . 1 1 42 42 LYS H H 42 6.967 6.967 7.753 -0.786 17716 3005 1 9 . 1 1 43 43 VAL N N 43 124.724 124.724 122.130 2.594 17716 3006 1 9 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.615 0.362 17716 3007 1 9 . 1 1 43 43 VAL C C 43 175.770 175.770 175.848 -0.078 17716 3008 1 9 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.392 -0.782 17716 3009 1 9 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.816 0.166 17716 3010 1 9 . 1 1 43 43 VAL H H 43 8.572 8.572 8.361 0.211 17716 3011 1 9 . 1 1 44 44 MET N N 44 127.278 127.278 127.839 -0.561 17716 3012 1 9 . 1 1 44 44 MET HA H 44 4.545 4.545 4.804 -0.259 17716 3013 1 9 . 1 1 44 44 MET C C 44 173.522 173.522 174.621 -1.099 17716 3014 1 9 . 1 1 44 44 MET CA C 44 53.558 53.558 54.573 -1.015 17716 3015 1 9 . 1 1 44 44 MET CB C 44 34.351 34.351 35.938 -1.587 17716 3016 1 9 . 1 1 44 44 MET H H 44 8.963 8.963 8.859 0.104 17716 3017 1 9 . 1 1 45 45 GLU N N 45 122.374 122.374 122.057 0.317 17716 3018 1 9 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.227 -0.118 17716 3019 1 9 . 1 1 45 45 GLU C C 45 176.320 176.320 176.369 -0.049 17716 3020 1 9 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.638 1.105 17716 3021 1 9 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.974 -0.992 17716 3022 1 9 . 1 1 45 45 GLU H H 45 8.668 8.668 8.642 0.026 17716 3023 1 9 . 1 1 46 46 THR N N 46 116.696 116.696 117.143 -0.447 17716 3024 1 9 . 1 1 46 46 THR HA H 46 4.757 4.757 4.919 -0.162 17716 3025 1 9 . 1 1 46 46 THR C C 46 176.657 176.657 176.745 -0.088 17716 3026 1 9 . 1 1 46 46 THR CA C 46 61.317 61.317 60.726 0.591 17716 3027 1 9 . 1 1 46 46 THR CB C 46 70.203 70.203 70.482 -0.279 17716 3028 1 9 . 1 1 46 46 THR H H 46 9.083 9.083 8.254 0.829 17716 3029 1 9 . 1 1 47 47 ARG N N 47 119.546 119.546 122.057 -2.511 17716 3030 1 9 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.018 -0.002 17716 3031 1 9 . 1 1 47 47 ARG C C 47 176.519 176.519 177.496 -0.977 17716 3032 1 9 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.642 -0.352 17716 3033 1 9 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.935 -0.243 17716 3034 1 9 . 1 1 47 47 ARG H H 47 8.580 8.580 8.318 0.262 17716 3035 1 9 . 1 1 48 48 ASP N N 48 114.579 114.579 115.911 -1.332 17716 3036 1 9 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.581 0.128 17716 3037 1 9 . 1 1 48 48 ASP C C 48 176.519 176.519 176.824 -0.305 17716 3038 1 9 . 1 1 48 48 ASP CA C 48 53.443 53.443 53.632 -0.189 17716 3039 1 9 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.448 -0.016 17716 3040 1 9 . 1 1 48 48 ASP H H 48 7.884 7.884 8.023 -0.139 17716 3041 1 9 . 1 1 49 49 GLY N N 49 107.958 107.958 108.165 -0.207 17716 3042 1 9 . 1 1 49 49 GLY C C 49 174.547 174.547 174.652 -0.105 17716 3043 1 9 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.388 -0.124 17716 3044 1 9 . 1 1 49 49 GLY H H 49 7.838 7.838 8.068 -0.230 17716 3045 1 9 . 1 1 50 50 THR N N 50 118.527 118.527 117.630 0.897 17716 3046 1 9 . 1 1 50 50 THR HA H 50 4.100 4.100 4.241 -0.141 17716 3047 1 9 . 1 1 50 50 THR C C 50 173.339 173.339 174.000 -0.661 17716 3048 1 9 . 1 1 50 50 THR CA C 50 63.381 63.381 62.556 0.825 17716 3049 1 9 . 1 1 50 50 THR CB C 50 68.781 68.781 69.319 -0.538 17716 3050 1 9 . 1 1 50 50 THR H H 50 7.783 7.783 8.140 -0.357 17716 3051 1 9 . 1 1 51 51 LYS N N 51 125.284 125.284 130.737 -5.453 17716 3052 1 9 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.520 0.551 17716 3053 1 9 . 1 1 51 51 LYS C C 51 176.137 176.137 175.958 0.179 17716 3054 1 9 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.362 -1.275 17716 3055 1 9 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.573 0.751 17716 3056 1 9 . 1 1 51 51 LYS H H 51 8.569 8.569 8.653 -0.084 17716 3057 1 9 . 1 1 52 52 ILE N N 52 123.781 123.781 123.812 -0.031 17716 3058 1 9 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.464 -0.292 17716 3059 1 9 . 1 1 52 52 ILE C C 52 174.730 174.730 174.639 0.091 17716 3060 1 9 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.531 0.028 17716 3061 1 9 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.388 1.465 17716 3062 1 9 . 1 1 52 52 ILE H H 52 8.887 8.887 8.670 0.217 17716 3063 1 9 . 1 1 53 53 ILE N N 53 128.421 128.421 125.195 3.226 17716 3064 1 9 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.182 -0.101 17716 3065 1 9 . 1 1 53 53 ILE C C 53 176.412 176.412 175.752 0.660 17716 3066 1 9 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.351 0.125 17716 3067 1 9 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.415 -1.984 17716 3068 1 9 . 1 1 53 53 ILE H H 53 8.567 8.567 8.404 0.163 17716 3069 1 9 . 1 1 54 54 MET N N 54 126.582 126.582 126.839 -0.257 17716 3070 1 9 . 1 1 54 54 MET HA H 54 4.282 4.282 4.357 -0.075 17716 3071 1 9 . 1 1 54 54 MET C C 54 174.547 174.547 175.239 -0.692 17716 3072 1 9 . 1 1 54 54 MET CA C 54 56.424 56.424 54.965 1.458 17716 3073 1 9 . 1 1 54 54 MET CB C 54 31.587 31.587 30.583 1.004 17716 3074 1 9 . 1 1 54 54 MET H H 54 8.886 8.886 8.720 0.166 17716 3075 1 9 . 1 1 55 55 LYS N N 55 106.838 106.838 128.604 -21.766 17716 3076 1 9 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.275 0.429 17716 3077 1 9 . 1 1 55 55 LYS C C 55 175.051 175.051 177.593 -2.542 17716 3078 1 9 . 1 1 55 55 LYS CA C 55 55.431 55.431 57.480 -2.049 17716 3079 1 9 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.707 1.486 17716 3080 1 9 . 1 1 55 55 LYS H H 55 8.559 8.559 7.925 0.634 17716 3081 1 9 . 1 1 56 56 GLY N N 56 113.486 113.486 106.871 6.615 17716 3082 1 9 . 1 1 56 56 GLY C C 56 181.029 181.029 174.020 7.009 17716 3083 1 9 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.822 -0.361 17716 3084 1 9 . 1 1 56 56 GLY H H 56 9.317 9.317 8.457 0.860 17716 3085 1 9 . 1 1 57 57 ASN N N 57 112.557 112.557 119.953 -7.396 17716 3086 1 9 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.556 0.174 17716 3087 1 9 . 1 1 57 57 ASN C C 57 177.023 177.023 175.611 1.412 17716 3088 1 9 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.970 0.008 17716 3089 1 9 . 1 1 57 57 ASN CB C 57 37.273 37.273 39.002 -1.729 17716 3090 1 9 . 1 1 57 57 ASN H H 57 8.732 8.732 7.959 0.773 17716 3091 1 9 . 1 1 58 58 GLU N N 58 123.440 123.440 120.424 3.016 17716 3092 1 9 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.577 -0.203 17716 3093 1 9 . 1 1 58 58 GLU C C 58 176.244 176.244 177.120 -0.876 17716 3094 1 9 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.517 -0.774 17716 3095 1 9 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.471 0.326 17716 3096 1 9 . 1 1 58 58 GLU H H 58 9.124 9.124 8.353 0.771 17716 3097 1 9 . 1 1 59 59 ILE N N 59 120.912 120.912 118.653 2.259 17716 3098 1 9 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.981 -0.354 17716 3099 1 9 . 1 1 59 59 ILE C C 59 177.360 177.360 176.607 0.753 17716 3100 1 9 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.322 1.511 17716 3101 1 9 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.771 0.055 17716 3102 1 9 . 1 1 59 59 ILE H H 59 7.703 7.703 7.645 0.058 17716 3103 1 9 . 1 1 60 60 PHE N N 60 119.669 119.669 119.758 -0.089 17716 3104 1 9 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.106 0.377 17716 3105 1 9 . 1 1 60 60 PHE C C 60 178.889 178.889 176.982 1.907 17716 3106 1 9 . 1 1 60 60 PHE CA C 60 60.514 60.514 61.415 -0.901 17716 3107 1 9 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.182 -0.119 17716 3108 1 9 . 1 1 60 60 PHE H H 60 7.934 7.934 7.945 -0.011 17716 3109 1 9 . 1 1 61 61 ARG N N 61 119.587 119.587 117.042 2.545 17716 3110 1 9 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.948 0.089 17716 3111 1 9 . 1 1 61 61 ARG C C 61 180.051 180.051 178.522 1.529 17716 3112 1 9 . 1 1 61 61 ARG CA C 61 58.832 58.832 57.859 0.973 17716 3113 1 9 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.160 2.437 17716 3114 1 9 . 1 1 61 61 ARG H H 61 8.133 8.133 7.404 0.729 17716 3115 1 9 . 1 1 62 62 LEU N N 62 121.008 121.008 119.665 1.343 17716 3116 1 9 . 1 1 62 62 LEU CA C 62 57.227 57.227 56.681 0.546 17716 3117 1 9 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.524 -1.288 17716 3118 1 9 . 1 1 62 62 LEU H H 62 8.517 8.517 7.974 0.543 17716 3119 1 9 . 1 1 70 70 HIS C C 70 177.253 177.253 174.125 3.128 17716 3120 1 9 . 1 1 71 71 SER N N 71 121.301 121.301 118.523 2.778 17716 3121 1 9 . 1 1 71 71 SER C C 71 173.461 173.461 173.234 0.227 17716 3122 1 9 . 1 1 71 71 SER CA C 71 58.259 58.259 58.473 -0.214 17716 3123 1 9 . 1 1 71 71 SER H H 71 8.652 8.652 8.591 0.061 17716 3124 1 9 . 1 1 72 72 GLU N N 72 122.601 122.601 126.691 -4.090 17716 3125 1 9 . 1 1 72 72 GLU C C 72 176.916 176.916 176.053 0.863 17716 3126 1 9 . 1 1 72 72 GLU CA C 72 54.781 54.781 57.372 -2.591 17716 3127 1 9 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.317 0.691 17716 3128 1 9 . 1 1 72 72 GLU H H 72 8.705 8.705 8.824 -0.119 17716 3129 1 9 . 1 1 73 73 GLY N N 73 110.370 110.370 114.087 -3.717 17716 3130 1 9 . 1 1 73 73 GLY C C 73 173.736 173.736 173.284 0.452 17716 3131 1 9 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.143 0.121 17716 3132 1 9 . 1 1 73 73 GLY H H 73 8.441 8.441 8.486 -0.045 17716 3133 1 10 . 1 1 2 2 ASP N N 2 117.290 117.290 119.368 -2.078 17716 3134 1 10 . 1 1 2 2 ASP CA C 2 55.038 55.038 56.747 -1.709 17716 3135 1 10 . 1 1 2 2 ASP H H 2 8.582 8.582 8.213 0.369 17716 3136 1 10 . 1 1 3 3 MET N N 3 117.021 117.021 119.961 -2.940 17716 3137 1 10 . 1 1 3 3 MET CA C 3 58.045 58.045 58.163 -0.118 17716 3138 1 10 . 1 1 3 3 MET H H 3 8.539 8.539 8.471 0.068 17716 3139 1 10 . 1 1 4 4 SER N N 4 121.274 121.274 115.945 5.329 17716 3140 1 10 . 1 1 4 4 SER C C 4 176.458 176.458 174.023 2.435 17716 3141 1 10 . 1 1 4 4 SER CA C 4 59.826 59.826 60.048 -0.222 17716 3142 1 10 . 1 1 4 4 SER H H 4 8.699 8.699 7.926 0.773 17716 3143 1 10 . 1 1 5 5 ASN N N 5 115.377 115.377 117.906 -2.529 17716 3144 1 10 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.354 -0.140 17716 3145 1 10 . 1 1 5 5 ASN H H 5 8.125 8.125 8.053 0.072 17716 3146 1 10 . 1 1 6 6 VAL N N 6 121.274 121.274 120.579 0.695 17716 3147 1 10 . 1 1 6 6 VAL C C 6 175.755 175.755 173.983 1.772 17716 3148 1 10 . 1 1 6 6 VAL CA C 6 63.534 63.534 61.199 2.336 17716 3149 1 10 . 1 1 6 6 VAL H H 6 7.572 7.572 7.739 -0.167 17716 3150 1 10 . 1 1 7 7 VAL N N 7 125.259 125.259 121.556 3.703 17716 3151 1 10 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.330 -0.034 17716 3152 1 10 . 1 1 7 7 VAL C C 7 175.602 175.602 174.649 0.953 17716 3153 1 10 . 1 1 7 7 VAL CA C 7 63.725 63.725 61.009 2.716 17716 3154 1 10 . 1 1 7 7 VAL CB C 7 32.784 32.784 34.327 -1.543 17716 3155 1 10 . 1 1 7 7 VAL H H 7 8.572 8.572 7.924 0.648 17716 3156 1 10 . 1 1 8 8 LYS N N 8 121.875 121.875 125.034 -3.159 17716 3157 1 10 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.463 -0.125 17716 3158 1 10 . 1 1 8 8 LYS C C 8 172.743 172.743 174.946 -2.203 17716 3159 1 10 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.492 0.015 17716 3160 1 10 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.868 2.308 17716 3161 1 10 . 1 1 8 8 LYS H H 8 7.437 7.437 8.668 -1.231 17716 3162 1 10 . 1 1 9 9 THR N N 9 121.187 121.187 119.427 1.760 17716 3163 1 10 . 1 1 9 9 THR HA H 9 5.106 5.106 4.672 0.434 17716 3164 1 10 . 1 1 9 9 THR C C 9 173.660 173.660 173.017 0.643 17716 3165 1 10 . 1 1 9 9 THR CA C 9 61.928 61.928 61.730 0.198 17716 3166 1 10 . 1 1 9 9 THR CB C 9 71.703 71.703 70.522 1.181 17716 3167 1 10 . 1 1 9 9 THR H H 9 8.041 8.041 7.938 0.103 17716 3168 1 10 . 1 1 10 10 TYR N N 10 123.795 123.795 126.012 -2.217 17716 3169 1 10 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.582 0.204 17716 3170 1 10 . 1 1 10 10 TYR C C 10 174.684 174.684 174.257 0.427 17716 3171 1 10 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.664 -0.316 17716 3172 1 10 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.832 0.442 17716 3173 1 10 . 1 1 10 10 TYR H H 10 9.078 9.078 8.395 0.683 17716 3174 1 10 . 1 1 11 11 ASP N N 11 123.002 123.002 125.461 -2.459 17716 3175 1 10 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.698 0.057 17716 3176 1 10 . 1 1 11 11 ASP C C 11 176.137 176.137 175.281 0.856 17716 3177 1 10 . 1 1 11 11 ASP CA C 11 54.666 54.666 54.526 0.140 17716 3178 1 10 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.972 0.723 17716 3179 1 10 . 1 1 11 11 ASP H H 11 8.814 8.814 8.930 -0.116 17716 3180 1 10 . 1 1 12 12 LEU N N 12 121.896 121.896 124.127 -2.231 17716 3181 1 10 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.296 0.511 17716 3182 1 10 . 1 1 12 12 LEU C C 12 179.072 179.072 178.375 0.697 17716 3183 1 10 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.865 -1.925 17716 3184 1 10 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.491 -1.507 17716 3185 1 10 . 1 1 12 12 LEU H H 12 8.606 8.606 8.020 0.586 17716 3186 1 10 . 1 1 13 13 GLN N N 13 119.615 119.615 121.372 -1.757 17716 3187 1 10 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.127 -0.150 17716 3188 1 10 . 1 1 13 13 GLN C C 13 175.923 175.923 176.583 -0.660 17716 3189 1 10 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.523 -0.035 17716 3190 1 10 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.865 -0.595 17716 3191 1 10 . 1 1 13 13 GLN H H 13 8.360 8.360 8.269 0.091 17716 3192 1 10 . 1 1 14 14 ASP N N 14 115.289 115.289 116.609 -1.320 17716 3193 1 10 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.659 -0.172 17716 3194 1 10 . 1 1 14 14 ASP C C 14 177.161 177.161 177.069 0.092 17716 3195 1 10 . 1 1 14 14 ASP CA C 14 53.405 53.405 54.046 -0.641 17716 3196 1 10 . 1 1 14 14 ASP CB C 14 39.879 39.879 39.929 -0.050 17716 3197 1 10 . 1 1 14 14 ASP H H 14 7.843 7.843 8.287 -0.444 17716 3198 1 10 . 1 1 15 15 GLY N N 15 107.917 107.917 107.521 0.396 17716 3199 1 10 . 1 1 15 15 GLY C C 15 174.333 174.333 174.369 -0.036 17716 3200 1 10 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.418 -0.230 17716 3201 1 10 . 1 1 15 15 GLY H H 15 7.799 7.799 7.593 0.206 17716 3202 1 10 . 1 1 16 16 SER N N 16 116.054 116.054 117.221 -1.167 17716 3203 1 10 . 1 1 16 16 SER HA H 16 4.405 4.405 4.868 -0.463 17716 3204 1 10 . 1 1 16 16 SER C C 16 172.146 172.146 172.875 -0.729 17716 3205 1 10 . 1 1 16 16 SER CA C 16 58.450 58.450 58.169 0.281 17716 3206 1 10 . 1 1 16 16 SER CB C 16 64.517 64.517 64.489 0.028 17716 3207 1 10 . 1 1 16 16 SER H H 16 7.927 7.927 7.670 0.257 17716 3208 1 10 . 1 1 17 17 LYS N N 17 117.434 117.434 117.097 0.337 17716 3209 1 10 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.005 0.178 17716 3210 1 10 . 1 1 17 17 LYS C C 17 175.724 175.724 174.963 0.761 17716 3211 1 10 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.465 -0.416 17716 3212 1 10 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.017 1.651 17716 3213 1 10 . 1 1 17 17 LYS H H 17 9.127 9.127 8.032 1.095 17716 3214 1 10 . 1 1 18 18 VAL N N 18 117.543 117.543 119.630 -2.087 17716 3215 1 10 . 1 1 18 18 VAL HA H 18 5.015 5.015 5.085 -0.070 17716 3216 1 10 . 1 1 18 18 VAL C C 18 183.445 183.445 175.602 7.843 17716 3217 1 10 . 1 1 18 18 VAL CA C 18 58.679 58.679 60.107 -1.428 17716 3218 1 10 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.694 0.815 17716 3219 1 10 . 1 1 18 18 VAL H H 18 8.580 8.580 8.215 0.365 17716 3220 1 10 . 1 1 19 19 HIS N N 19 128.371 128.371 118.834 9.537 17716 3221 1 10 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.045 -0.039 17716 3222 1 10 . 1 1 19 19 HIS C C 19 174.302 174.302 173.232 1.070 17716 3223 1 10 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.160 0.430 17716 3224 1 10 . 1 1 19 19 HIS CB C 19 33.087 33.087 31.499 1.588 17716 3225 1 10 . 1 1 19 19 HIS H H 19 8.901 8.901 8.794 0.107 17716 3226 1 10 . 1 1 20 20 VAL N N 20 123.150 123.150 120.465 2.685 17716 3227 1 10 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.397 0.049 17716 3228 1 10 . 1 1 20 20 VAL C C 20 176.045 176.045 173.817 2.228 17716 3229 1 10 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.639 0.869 17716 3230 1 10 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.436 -0.822 17716 3231 1 10 . 1 1 20 20 VAL H H 20 9.351 9.351 7.879 1.472 17716 3232 1 10 . 1 1 21 21 PHE N N 21 124.942 124.942 122.393 2.549 17716 3233 1 10 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.717 0.169 17716 3234 1 10 . 1 1 21 21 PHE C C 21 178.613 178.613 177.381 1.232 17716 3235 1 10 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.255 1.463 17716 3236 1 10 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.880 0.788 17716 3237 1 10 . 1 1 21 21 PHE H H 21 9.324 9.324 8.659 0.665 17716 3238 1 10 . 1 1 22 22 LYS N N 22 122.104 122.104 120.620 1.484 17716 3239 1 10 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.156 -0.217 17716 3240 1 10 . 1 1 22 22 LYS C C 22 175.969 175.969 176.591 -0.622 17716 3241 1 10 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.855 1.009 17716 3242 1 10 . 1 1 22 22 LYS CB C 22 32.614 32.614 31.982 0.632 17716 3243 1 10 . 1 1 22 22 LYS H H 22 8.411 8.411 8.738 -0.327 17716 3244 1 10 . 1 1 23 23 ASP N N 23 114.797 114.797 118.195 -3.398 17716 3245 1 10 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.611 -0.122 17716 3246 1 10 . 1 1 23 23 ASP C C 23 176.794 176.794 176.689 0.105 17716 3247 1 10 . 1 1 23 23 ASP CA C 23 53.405 53.405 52.803 0.602 17716 3248 1 10 . 1 1 23 23 ASP CB C 23 39.642 39.642 39.839 -0.197 17716 3249 1 10 . 1 1 23 23 ASP H H 23 8.006 8.006 7.950 0.056 17716 3250 1 10 . 1 1 24 24 GLY N N 24 109.105 109.105 107.736 1.369 17716 3251 1 10 . 1 1 24 24 GLY C C 24 173.844 173.844 174.538 -0.694 17716 3252 1 10 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.651 -0.655 17716 3253 1 10 . 1 1 24 24 GLY H H 24 8.346 8.346 7.456 0.890 17716 3254 1 10 . 1 1 25 25 LYS N N 25 117.557 117.557 121.024 -3.467 17716 3255 1 10 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.334 0.020 17716 3256 1 10 . 1 1 25 25 LYS C C 25 175.862 175.862 176.485 -0.623 17716 3257 1 10 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.552 -0.374 17716 3258 1 10 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.039 0.601 17716 3259 1 10 . 1 1 25 25 LYS H H 25 7.584 7.584 8.075 -0.491 17716 3260 1 10 . 1 1 26 26 MET N N 26 116.628 116.628 120.071 -3.443 17716 3261 1 10 . 1 1 26 26 MET HA H 26 5.995 5.995 4.390 1.605 17716 3262 1 10 . 1 1 26 26 MET C C 26 175.724 175.724 176.403 -0.679 17716 3263 1 10 . 1 1 26 26 MET CA C 26 55.469 55.469 56.475 -1.006 17716 3264 1 10 . 1 1 26 26 MET CB C 26 36.562 36.562 33.754 2.808 17716 3265 1 10 . 1 1 26 26 MET H H 26 8.599 8.599 8.633 -0.034 17716 3266 1 10 . 1 1 27 27 GLY N N 27 104.570 104.570 106.106 -1.536 17716 3267 1 10 . 1 1 27 27 GLY C C 27 183.552 183.552 172.797 10.755 17716 3268 1 10 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.743 -0.282 17716 3269 1 10 . 1 1 27 27 GLY H H 27 9.063 9.063 8.208 0.855 17716 3270 1 10 . 1 1 28 28 MET N N 28 119.860 119.860 125.083 -5.223 17716 3271 1 10 . 1 1 28 28 MET HA H 28 5.302 5.302 4.590 0.712 17716 3272 1 10 . 1 1 28 28 MET C C 28 173.431 173.431 174.753 -1.322 17716 3273 1 10 . 1 1 28 28 MET CA C 28 52.106 52.106 55.252 -3.146 17716 3274 1 10 . 1 1 28 28 MET CB C 28 31.508 31.508 34.171 -2.663 17716 3275 1 10 . 1 1 28 28 MET H H 28 8.751 8.751 8.942 -0.191 17716 3276 1 10 . 1 1 29 29 GLU N N 29 123.440 123.440 124.375 -0.935 17716 3277 1 10 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.797 0.210 17716 3278 1 10 . 1 1 29 29 GLU C C 29 175.479 175.479 174.862 0.617 17716 3279 1 10 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.910 -0.811 17716 3280 1 10 . 1 1 29 29 GLU CB C 29 34.430 34.430 31.909 2.521 17716 3281 1 10 . 1 1 29 29 GLU H H 29 8.904 8.904 8.131 0.773 17716 3282 1 10 . 1 1 30 30 ASN N N 30 123.219 123.219 122.070 1.149 17716 3283 1 10 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.683 -0.060 17716 3284 1 10 . 1 1 30 30 ASN C C 30 176.886 176.886 175.964 0.922 17716 3285 1 10 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.481 -1.063 17716 3286 1 10 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.727 -0.559 17716 3287 1 10 . 1 1 30 30 ASN H H 30 9.339 9.339 8.479 0.860 17716 3288 1 10 . 1 1 31 31 LYS N N 31 116.491 116.491 119.952 -3.461 17716 3289 1 10 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.109 -0.167 17716 3290 1 10 . 1 1 31 31 LYS C C 31 175.663 175.663 176.680 -1.017 17716 3291 1 10 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.353 0.753 17716 3292 1 10 . 1 1 31 31 LYS CB C 31 31.429 31.429 32.054 -0.625 17716 3293 1 10 . 1 1 31 31 LYS H H 31 8.512 8.512 8.700 -0.188 17716 3294 1 10 . 1 1 32 32 PHE N N 32 117.885 117.885 118.114 -0.229 17716 3295 1 10 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.392 0.363 17716 3296 1 10 . 1 1 32 32 PHE C C 32 176.060 176.060 175.547 0.513 17716 3297 1 10 . 1 1 32 32 PHE CA C 32 56.577 56.577 58.044 -1.466 17716 3298 1 10 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.792 0.060 17716 3299 1 10 . 1 1 32 32 PHE H H 32 7.507 7.507 7.841 -0.334 17716 3300 1 10 . 1 1 33 33 GLY N N 33 108.245 108.245 106.418 1.827 17716 3301 1 10 . 1 1 33 33 GLY C C 33 173.828 173.828 174.152 -0.324 17716 3302 1 10 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.295 0.351 17716 3303 1 10 . 1 1 33 33 GLY H H 33 8.062 8.062 7.617 0.445 17716 3304 1 10 . 1 1 34 34 LYS N N 34 117.724 117.724 121.138 -3.414 17716 3305 1 10 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.406 0.236 17716 3306 1 10 . 1 1 34 34 LYS C C 34 175.862 175.862 176.324 -0.462 17716 3307 1 10 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.822 -1.761 17716 3308 1 10 . 1 1 34 34 LYS CB C 34 34.193 34.193 32.389 1.804 17716 3309 1 10 . 1 1 34 34 LYS H H 34 7.561 7.561 7.934 -0.373 17716 3310 1 10 . 1 1 35 35 SER N N 35 117.079 117.079 120.710 -3.631 17716 3311 1 10 . 1 1 35 35 SER HA H 35 5.001 5.001 4.531 0.470 17716 3312 1 10 . 1 1 35 35 SER C C 35 174.210 174.210 174.580 -0.370 17716 3313 1 10 . 1 1 35 35 SER CA C 35 57.953 57.953 59.040 -1.087 17716 3314 1 10 . 1 1 35 35 SER CB C 35 64.043 64.043 63.465 0.578 17716 3315 1 10 . 1 1 35 35 SER H H 35 8.588 8.588 8.701 -0.113 17716 3316 1 10 . 1 1 36 36 MET N N 36 117.966 117.966 125.131 -7.165 17716 3317 1 10 . 1 1 36 36 MET HA H 36 4.765 4.765 4.448 0.317 17716 3318 1 10 . 1 1 36 36 MET C C 36 173.461 173.461 174.824 -1.363 17716 3319 1 10 . 1 1 36 36 MET CA C 36 54.055 54.055 54.378 -0.323 17716 3320 1 10 . 1 1 36 36 MET CB C 36 36.009 36.009 34.864 1.145 17716 3321 1 10 . 1 1 36 36 MET H H 36 8.044 8.044 7.862 0.182 17716 3322 1 10 . 1 1 37 37 ASN N N 37 122.101 122.101 123.801 -1.700 17716 3323 1 10 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.493 0.202 17716 3324 1 10 . 1 1 37 37 ASN C C 37 175.770 175.770 174.815 0.955 17716 3325 1 10 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.854 0.163 17716 3326 1 10 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.983 2.001 17716 3327 1 10 . 1 1 37 37 ASN H H 37 8.753 8.753 8.575 0.178 17716 3328 1 10 . 1 1 38 38 MET N N 38 122.627 122.627 127.522 -4.895 17716 3329 1 10 . 1 1 38 38 MET HA H 38 4.623 4.623 4.866 -0.243 17716 3330 1 10 . 1 1 38 38 MET CA C 38 54.093 54.093 52.638 1.455 17716 3331 1 10 . 1 1 38 38 MET CB C 38 38.708 38.708 34.662 4.046 17716 3332 1 10 . 1 1 38 38 MET H H 38 8.133 8.133 8.185 -0.052 17716 3333 1 10 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.214 0.066 17716 3334 1 10 . 1 1 39 39 PRO C C 39 175.831 175.831 176.323 -0.492 17716 3335 1 10 . 1 1 39 39 PRO CA C 39 62.654 62.654 63.334 -0.680 17716 3336 1 10 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.264 0.192 17716 3337 1 10 . 1 1 40 40 GLU N N 40 120.437 120.437 124.133 -3.696 17716 3338 1 10 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.240 -0.544 17716 3339 1 10 . 1 1 40 40 GLU C C 40 177.757 177.757 176.821 0.936 17716 3340 1 10 . 1 1 40 40 GLU CA C 40 57.800 57.800 56.539 1.261 17716 3341 1 10 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.484 1.524 17716 3342 1 10 . 1 1 40 40 GLU H H 40 8.322 8.322 8.822 -0.500 17716 3343 1 10 . 1 1 41 41 GLY N N 41 112.092 112.092 112.513 -0.421 17716 3344 1 10 . 1 1 41 41 GLY C C 41 173.935 173.935 174.270 -0.335 17716 3345 1 10 . 1 1 41 41 GLY CA C 41 44.805 44.805 45.074 -0.269 17716 3346 1 10 . 1 1 41 41 GLY H H 41 9.188 9.188 8.378 0.810 17716 3347 1 10 . 1 1 42 42 LYS N N 42 120.325 120.325 123.025 -2.700 17716 3348 1 10 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.198 0.050 17716 3349 1 10 . 1 1 42 42 LYS C C 42 175.755 175.755 176.159 -0.404 17716 3350 1 10 . 1 1 42 42 LYS CA C 42 55.698 55.698 57.049 -1.351 17716 3351 1 10 . 1 1 42 42 LYS CB C 42 32.851 32.851 33.239 -0.388 17716 3352 1 10 . 1 1 42 42 LYS H H 42 6.967 6.967 7.714 -0.747 17716 3353 1 10 . 1 1 43 43 VAL N N 43 124.724 124.724 125.994 -1.270 17716 3354 1 10 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.943 0.034 17716 3355 1 10 . 1 1 43 43 VAL C C 43 175.770 175.770 175.474 0.296 17716 3356 1 10 . 1 1 43 43 VAL CA C 43 63.610 63.610 62.596 1.014 17716 3357 1 10 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.896 0.086 17716 3358 1 10 . 1 1 43 43 VAL H H 43 8.572 8.572 8.287 0.285 17716 3359 1 10 . 1 1 44 44 MET N N 44 127.278 127.278 127.553 -0.275 17716 3360 1 10 . 1 1 44 44 MET HA H 44 4.545 4.545 4.778 -0.233 17716 3361 1 10 . 1 1 44 44 MET C C 44 173.522 173.522 174.874 -1.352 17716 3362 1 10 . 1 1 44 44 MET CA C 44 53.558 53.558 54.628 -1.070 17716 3363 1 10 . 1 1 44 44 MET CB C 44 34.351 34.351 34.968 -0.617 17716 3364 1 10 . 1 1 44 44 MET H H 44 8.963 8.963 8.566 0.397 17716 3365 1 10 . 1 1 45 45 GLU N N 45 122.374 122.374 123.611 -1.237 17716 3366 1 10 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.162 -0.053 17716 3367 1 10 . 1 1 45 45 GLU C C 45 176.320 176.320 176.478 -0.158 17716 3368 1 10 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.666 1.077 17716 3369 1 10 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.495 -0.512 17716 3370 1 10 . 1 1 45 45 GLU H H 45 8.668 8.668 8.749 -0.081 17716 3371 1 10 . 1 1 46 46 THR N N 46 116.696 116.696 117.611 -0.915 17716 3372 1 10 . 1 1 46 46 THR HA H 46 4.757 4.757 4.962 -0.205 17716 3373 1 10 . 1 1 46 46 THR C C 46 176.657 176.657 176.847 -0.190 17716 3374 1 10 . 1 1 46 46 THR CA C 46 61.317 61.317 61.084 0.233 17716 3375 1 10 . 1 1 46 46 THR CB C 46 70.203 70.203 70.721 -0.518 17716 3376 1 10 . 1 1 46 46 THR H H 46 9.083 9.083 8.390 0.693 17716 3377 1 10 . 1 1 47 47 ARG N N 47 119.546 119.546 122.295 -2.749 17716 3378 1 10 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.025 -0.009 17716 3379 1 10 . 1 1 47 47 ARG C C 47 176.519 176.519 177.681 -1.162 17716 3380 1 10 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.520 -0.229 17716 3381 1 10 . 1 1 47 47 ARG CB C 47 29.692 29.692 30.037 -0.345 17716 3382 1 10 . 1 1 47 47 ARG H H 47 8.580 8.580 8.523 0.057 17716 3383 1 10 . 1 1 48 48 ASP N N 48 114.579 114.579 115.609 -1.030 17716 3384 1 10 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.549 0.160 17716 3385 1 10 . 1 1 48 48 ASP C C 48 176.519 176.519 177.170 -0.651 17716 3386 1 10 . 1 1 48 48 ASP CA C 48 53.443 53.443 53.927 -0.484 17716 3387 1 10 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.372 0.060 17716 3388 1 10 . 1 1 48 48 ASP H H 48 7.884 7.884 8.204 -0.320 17716 3389 1 10 . 1 1 49 49 GLY N N 49 107.958 107.958 108.444 -0.486 17716 3390 1 10 . 1 1 49 49 GLY C C 49 174.547 174.547 174.701 -0.154 17716 3391 1 10 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.298 -0.035 17716 3392 1 10 . 1 1 49 49 GLY H H 49 7.838 7.838 8.105 -0.267 17716 3393 1 10 . 1 1 50 50 THR N N 50 118.527 118.527 117.808 0.719 17716 3394 1 10 . 1 1 50 50 THR HA H 50 4.100 4.100 4.364 -0.264 17716 3395 1 10 . 1 1 50 50 THR C C 50 173.339 173.339 173.904 -0.565 17716 3396 1 10 . 1 1 50 50 THR CA C 50 63.381 63.381 62.412 0.969 17716 3397 1 10 . 1 1 50 50 THR CB C 50 68.781 68.781 69.139 -0.358 17716 3398 1 10 . 1 1 50 50 THR H H 50 7.783 7.783 8.184 -0.401 17716 3399 1 10 . 1 1 51 51 LYS N N 51 125.284 125.284 130.304 -5.020 17716 3400 1 10 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.497 0.574 17716 3401 1 10 . 1 1 51 51 LYS C C 51 176.137 176.137 176.147 -0.010 17716 3402 1 10 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.516 -1.429 17716 3403 1 10 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.737 0.587 17716 3404 1 10 . 1 1 51 51 LYS H H 51 8.569 8.569 8.679 -0.110 17716 3405 1 10 . 1 1 52 52 ILE N N 52 123.781 123.781 123.568 0.213 17716 3406 1 10 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.444 -0.272 17716 3407 1 10 . 1 1 52 52 ILE C C 52 174.730 174.730 174.562 0.168 17716 3408 1 10 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.696 -0.137 17716 3409 1 10 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.214 1.639 17716 3410 1 10 . 1 1 52 52 ILE H H 52 8.887 8.887 8.923 -0.036 17716 3411 1 10 . 1 1 53 53 ILE N N 53 128.421 128.421 126.282 2.139 17716 3412 1 10 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.416 -0.335 17716 3413 1 10 . 1 1 53 53 ILE C C 53 176.412 176.412 176.369 0.043 17716 3414 1 10 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.245 0.231 17716 3415 1 10 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.589 -2.158 17716 3416 1 10 . 1 1 53 53 ILE H H 53 8.567 8.567 8.523 0.044 17716 3417 1 10 . 1 1 54 54 MET N N 54 126.582 126.582 126.691 -0.109 17716 3418 1 10 . 1 1 54 54 MET HA H 54 4.282 4.282 4.328 -0.046 17716 3419 1 10 . 1 1 54 54 MET C C 54 174.547 174.547 175.086 -0.539 17716 3420 1 10 . 1 1 54 54 MET CA C 54 56.424 56.424 54.722 1.702 17716 3421 1 10 . 1 1 54 54 MET CB C 54 31.587 31.587 30.630 0.957 17716 3422 1 10 . 1 1 54 54 MET H H 54 8.886 8.886 8.597 0.289 17716 3423 1 10 . 1 1 55 55 LYS N N 55 106.838 106.838 126.846 -20.008 17716 3424 1 10 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.179 0.525 17716 3425 1 10 . 1 1 55 55 LYS C C 55 175.051 175.051 177.883 -2.832 17716 3426 1 10 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.946 -3.515 17716 3427 1 10 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.508 1.685 17716 3428 1 10 . 1 1 55 55 LYS H H 55 8.559 8.559 8.174 0.385 17716 3429 1 10 . 1 1 56 56 GLY N N 56 113.486 113.486 107.337 6.149 17716 3430 1 10 . 1 1 56 56 GLY C C 56 181.029 181.029 174.208 6.821 17716 3431 1 10 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.740 -0.279 17716 3432 1 10 . 1 1 56 56 GLY H H 56 9.317 9.317 8.588 0.729 17716 3433 1 10 . 1 1 57 57 ASN N N 57 112.557 112.557 118.840 -6.283 17716 3434 1 10 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.513 0.217 17716 3435 1 10 . 1 1 57 57 ASN C C 57 177.023 177.023 175.691 1.332 17716 3436 1 10 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.383 -0.405 17716 3437 1 10 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.961 -1.688 17716 3438 1 10 . 1 1 57 57 ASN H H 57 8.732 8.732 8.381 0.351 17716 3439 1 10 . 1 1 58 58 GLU N N 58 123.440 123.440 119.737 3.703 17716 3440 1 10 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.610 -0.236 17716 3441 1 10 . 1 1 58 58 GLU C C 58 176.244 176.244 176.908 -0.664 17716 3442 1 10 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.795 -1.052 17716 3443 1 10 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.922 -0.125 17716 3444 1 10 . 1 1 58 58 GLU H H 58 9.124 9.124 8.463 0.661 17716 3445 1 10 . 1 1 59 59 ILE N N 59 120.912 120.912 118.796 2.116 17716 3446 1 10 . 1 1 59 59 ILE HA H 59 3.627 3.627 4.063 -0.436 17716 3447 1 10 . 1 1 59 59 ILE C C 59 177.360 177.360 176.638 0.722 17716 3448 1 10 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.427 1.406 17716 3449 1 10 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.892 -0.067 17716 3450 1 10 . 1 1 59 59 ILE H H 59 7.703 7.703 7.803 -0.100 17716 3451 1 10 . 1 1 60 60 PHE N N 60 119.669 119.669 118.907 0.762 17716 3452 1 10 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.658 -0.175 17716 3453 1 10 . 1 1 60 60 PHE C C 60 178.889 178.889 176.961 1.928 17716 3454 1 10 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.746 -0.232 17716 3455 1 10 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.233 -0.170 17716 3456 1 10 . 1 1 60 60 PHE H H 60 7.934 7.934 8.104 -0.170 17716 3457 1 10 . 1 1 61 61 ARG N N 61 119.587 119.587 117.131 2.456 17716 3458 1 10 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.929 0.108 17716 3459 1 10 . 1 1 61 61 ARG C C 61 180.051 180.051 178.378 1.673 17716 3460 1 10 . 1 1 61 61 ARG CA C 61 58.832 58.832 57.778 1.054 17716 3461 1 10 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.010 2.587 17716 3462 1 10 . 1 1 61 61 ARG H H 61 8.133 8.133 7.473 0.660 17716 3463 1 10 . 1 1 62 62 LEU N N 62 121.008 121.008 120.498 0.510 17716 3464 1 10 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.309 -0.081 17716 3465 1 10 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.325 -1.089 17716 3466 1 10 . 1 1 62 62 LEU H H 62 8.517 8.517 7.976 0.541 17716 3467 1 10 . 1 1 70 70 HIS C C 70 177.253 177.253 173.380 3.873 17716 3468 1 10 . 1 1 71 71 SER N N 71 121.301 121.301 119.692 1.609 17716 3469 1 10 . 1 1 71 71 SER C C 71 173.461 173.461 174.869 -1.408 17716 3470 1 10 . 1 1 71 71 SER CA C 71 58.259 58.259 57.241 1.018 17716 3471 1 10 . 1 1 71 71 SER H H 71 8.652 8.652 8.095 0.557 17716 3472 1 10 . 1 1 72 72 GLU N N 72 122.601 122.601 122.454 0.147 17716 3473 1 10 . 1 1 72 72 GLU C C 72 176.916 176.916 177.062 -0.146 17716 3474 1 10 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.706 -1.925 17716 3475 1 10 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.809 0.199 17716 3476 1 10 . 1 1 72 72 GLU H H 72 8.705 8.705 8.717 -0.012 17716 3477 1 10 . 1 1 73 73 GLY N N 73 110.370 110.370 109.532 0.838 17716 3478 1 10 . 1 1 73 73 GLY C C 73 173.736 173.736 173.909 -0.173 17716 3479 1 10 . 1 1 73 73 GLY CA C 73 45.264 45.264 44.971 0.293 17716 3480 1 10 . 1 1 73 73 GLY H H 73 8.441 8.441 8.019 0.422 17716 3481 1 11 . 1 1 2 2 ASP N N 2 117.290 117.290 121.275 -3.985 17716 3482 1 11 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.043 0.995 17716 3483 1 11 . 1 1 2 2 ASP H H 2 8.582 8.582 7.776 0.806 17716 3484 1 11 . 1 1 3 3 MET N N 3 117.021 117.021 122.368 -5.347 17716 3485 1 11 . 1 1 3 3 MET CA C 3 58.045 58.045 58.577 -0.532 17716 3486 1 11 . 1 1 3 3 MET H H 3 8.539 8.539 8.747 -0.208 17716 3487 1 11 . 1 1 4 4 SER N N 4 121.274 121.274 113.039 8.235 17716 3488 1 11 . 1 1 4 4 SER C C 4 176.458 176.458 174.452 2.006 17716 3489 1 11 . 1 1 4 4 SER CA C 4 59.826 59.826 59.475 0.351 17716 3490 1 11 . 1 1 4 4 SER H H 4 8.699 8.699 8.178 0.521 17716 3491 1 11 . 1 1 5 5 ASN N N 5 115.377 115.377 120.375 -4.998 17716 3492 1 11 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.721 -0.506 17716 3493 1 11 . 1 1 5 5 ASN H H 5 8.125 8.125 7.802 0.323 17716 3494 1 11 . 1 1 6 6 VAL N N 6 121.274 121.274 118.053 3.221 17716 3495 1 11 . 1 1 6 6 VAL C C 6 175.755 175.755 175.488 0.267 17716 3496 1 11 . 1 1 6 6 VAL CA C 6 63.534 63.534 60.059 3.475 17716 3497 1 11 . 1 1 6 6 VAL H H 6 7.572 7.572 7.739 -0.167 17716 3498 1 11 . 1 1 7 7 VAL N N 7 125.259 125.259 122.876 2.383 17716 3499 1 11 . 1 1 7 7 VAL HA H 7 4.296 4.296 3.949 0.347 17716 3500 1 11 . 1 1 7 7 VAL C C 7 175.602 175.602 175.551 0.051 17716 3501 1 11 . 1 1 7 7 VAL CA C 7 63.725 63.725 63.246 0.479 17716 3502 1 11 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.529 0.255 17716 3503 1 11 . 1 1 7 7 VAL H H 7 8.572 8.572 8.731 -0.159 17716 3504 1 11 . 1 1 8 8 LYS N N 8 121.875 121.875 117.962 3.913 17716 3505 1 11 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.455 -0.117 17716 3506 1 11 . 1 1 8 8 LYS C C 8 172.743 172.743 174.258 -1.515 17716 3507 1 11 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.620 -0.113 17716 3508 1 11 . 1 1 8 8 LYS CB C 8 36.176 36.176 35.484 0.692 17716 3509 1 11 . 1 1 8 8 LYS H H 8 7.437 7.437 7.572 -0.135 17716 3510 1 11 . 1 1 9 9 THR N N 9 121.187 121.187 119.285 1.902 17716 3511 1 11 . 1 1 9 9 THR HA H 9 5.106 5.106 4.908 0.198 17716 3512 1 11 . 1 1 9 9 THR C C 9 173.660 173.660 172.971 0.689 17716 3513 1 11 . 1 1 9 9 THR CA C 9 61.928 61.928 61.603 0.325 17716 3514 1 11 . 1 1 9 9 THR CB C 9 71.703 71.703 70.098 1.605 17716 3515 1 11 . 1 1 9 9 THR H H 9 8.041 8.041 7.859 0.182 17716 3516 1 11 . 1 1 10 10 TYR N N 10 123.795 123.795 125.964 -2.169 17716 3517 1 11 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.593 0.193 17716 3518 1 11 . 1 1 10 10 TYR C C 10 174.684 174.684 174.868 -0.184 17716 3519 1 11 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.337 0.011 17716 3520 1 11 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.391 0.883 17716 3521 1 11 . 1 1 10 10 TYR H H 10 9.078 9.078 8.218 0.860 17716 3522 1 11 . 1 1 11 11 ASP N N 11 123.002 123.002 126.663 -3.661 17716 3523 1 11 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.605 0.150 17716 3524 1 11 . 1 1 11 11 ASP C C 11 176.137 176.137 175.454 0.683 17716 3525 1 11 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.161 -0.495 17716 3526 1 11 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.513 1.182 17716 3527 1 11 . 1 1 11 11 ASP H H 11 8.814 8.814 8.977 -0.163 17716 3528 1 11 . 1 1 12 12 LEU N N 12 121.896 121.896 123.946 -2.050 17716 3529 1 11 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.389 0.418 17716 3530 1 11 . 1 1 12 12 LEU C C 12 179.072 179.072 178.541 0.531 17716 3531 1 11 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.397 -1.457 17716 3532 1 11 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.803 -1.819 17716 3533 1 11 . 1 1 12 12 LEU H H 12 8.606 8.606 8.004 0.602 17716 3534 1 11 . 1 1 13 13 GLN N N 13 119.615 119.615 121.769 -2.154 17716 3535 1 11 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.163 -0.186 17716 3536 1 11 . 1 1 13 13 GLN C C 13 175.923 175.923 176.682 -0.759 17716 3537 1 11 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.350 0.138 17716 3538 1 11 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.886 -0.616 17716 3539 1 11 . 1 1 13 13 GLN H H 13 8.360 8.360 8.643 -0.283 17716 3540 1 11 . 1 1 14 14 ASP N N 14 115.289 115.289 117.643 -2.354 17716 3541 1 11 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.697 -0.210 17716 3542 1 11 . 1 1 14 14 ASP C C 14 177.161 177.161 176.842 0.319 17716 3543 1 11 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.914 -0.509 17716 3544 1 11 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.027 -0.148 17716 3545 1 11 . 1 1 14 14 ASP H H 14 7.843 7.843 8.313 -0.470 17716 3546 1 11 . 1 1 15 15 GLY N N 15 107.917 107.917 106.804 1.113 17716 3547 1 11 . 1 1 15 15 GLY C C 15 174.333 174.333 174.365 -0.032 17716 3548 1 11 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.655 -0.467 17716 3549 1 11 . 1 1 15 15 GLY H H 15 7.799 7.799 7.727 0.072 17716 3550 1 11 . 1 1 16 16 SER N N 16 116.054 116.054 115.533 0.521 17716 3551 1 11 . 1 1 16 16 SER HA H 16 4.405 4.405 4.424 -0.019 17716 3552 1 11 . 1 1 16 16 SER C C 16 172.146 172.146 173.679 -1.533 17716 3553 1 11 . 1 1 16 16 SER CA C 16 58.450 58.450 58.467 -0.017 17716 3554 1 11 . 1 1 16 16 SER CB C 16 64.517 64.517 64.770 -0.253 17716 3555 1 11 . 1 1 16 16 SER H H 16 7.927 7.927 7.669 0.258 17716 3556 1 11 . 1 1 17 17 LYS N N 17 117.434 117.434 119.717 -2.283 17716 3557 1 11 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.087 0.096 17716 3558 1 11 . 1 1 17 17 LYS C C 17 175.724 175.724 175.558 0.166 17716 3559 1 11 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.550 -0.501 17716 3560 1 11 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.231 1.437 17716 3561 1 11 . 1 1 17 17 LYS H H 17 9.127 9.127 7.730 1.397 17716 3562 1 11 . 1 1 18 18 VAL N N 18 117.543 117.543 122.474 -4.931 17716 3563 1 11 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.639 0.376 17716 3564 1 11 . 1 1 18 18 VAL C C 18 183.445 183.445 175.536 7.909 17716 3565 1 11 . 1 1 18 18 VAL CA C 18 58.679 58.679 60.994 -2.315 17716 3566 1 11 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.067 1.442 17716 3567 1 11 . 1 1 18 18 VAL H H 18 8.580 8.580 8.270 0.310 17716 3568 1 11 . 1 1 19 19 HIS N N 19 128.371 128.371 120.066 8.305 17716 3569 1 11 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.088 -0.082 17716 3570 1 11 . 1 1 19 19 HIS C C 19 174.302 174.302 173.198 1.104 17716 3571 1 11 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.254 0.336 17716 3572 1 11 . 1 1 19 19 HIS CB C 19 33.087 33.087 31.654 1.433 17716 3573 1 11 . 1 1 19 19 HIS H H 19 8.901 8.901 8.748 0.153 17716 3574 1 11 . 1 1 20 20 VAL N N 20 123.150 123.150 120.733 2.417 17716 3575 1 11 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.554 -0.108 17716 3576 1 11 . 1 1 20 20 VAL C C 20 176.045 176.045 173.412 2.633 17716 3577 1 11 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.444 1.064 17716 3578 1 11 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.962 -1.348 17716 3579 1 11 . 1 1 20 20 VAL H H 20 9.351 9.351 7.876 1.475 17716 3580 1 11 . 1 1 21 21 PHE N N 21 124.942 124.942 123.146 1.796 17716 3581 1 11 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.796 0.090 17716 3582 1 11 . 1 1 21 21 PHE C C 21 178.613 178.613 177.796 0.817 17716 3583 1 11 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.245 1.473 17716 3584 1 11 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.144 0.525 17716 3585 1 11 . 1 1 21 21 PHE H H 21 9.324 9.324 8.589 0.735 17716 3586 1 11 . 1 1 22 22 LYS N N 22 122.104 122.104 121.023 1.081 17716 3587 1 11 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.212 -0.273 17716 3588 1 11 . 1 1 22 22 LYS C C 22 175.969 175.969 176.742 -0.773 17716 3589 1 11 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.908 0.956 17716 3590 1 11 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.119 0.495 17716 3591 1 11 . 1 1 22 22 LYS H H 22 8.411 8.411 8.896 -0.485 17716 3592 1 11 . 1 1 23 23 ASP N N 23 114.797 114.797 117.578 -2.781 17716 3593 1 11 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.630 -0.141 17716 3594 1 11 . 1 1 23 23 ASP C C 23 176.794 176.794 176.998 -0.204 17716 3595 1 11 . 1 1 23 23 ASP CA C 23 53.405 53.405 54.347 -0.942 17716 3596 1 11 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.330 -0.688 17716 3597 1 11 . 1 1 23 23 ASP H H 23 8.006 8.006 8.098 -0.092 17716 3598 1 11 . 1 1 24 24 GLY N N 24 109.105 109.105 108.282 0.823 17716 3599 1 11 . 1 1 24 24 GLY C C 24 173.844 173.844 174.188 -0.344 17716 3600 1 11 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.288 -0.292 17716 3601 1 11 . 1 1 24 24 GLY H H 24 8.346 8.346 7.606 0.740 17716 3602 1 11 . 1 1 25 25 LYS N N 25 117.557 117.557 120.505 -2.948 17716 3603 1 11 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.328 0.026 17716 3604 1 11 . 1 1 25 25 LYS C C 25 175.862 175.862 176.419 -0.557 17716 3605 1 11 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.351 -0.173 17716 3606 1 11 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.169 0.471 17716 3607 1 11 . 1 1 25 25 LYS H H 25 7.584 7.584 7.858 -0.274 17716 3608 1 11 . 1 1 26 26 MET N N 26 116.628 116.628 120.251 -3.623 17716 3609 1 11 . 1 1 26 26 MET HA H 26 5.995 5.995 4.476 1.519 17716 3610 1 11 . 1 1 26 26 MET C C 26 175.724 175.724 176.389 -0.665 17716 3611 1 11 . 1 1 26 26 MET CA C 26 55.469 55.469 56.844 -1.375 17716 3612 1 11 . 1 1 26 26 MET CB C 26 36.562 36.562 34.543 2.019 17716 3613 1 11 . 1 1 26 26 MET H H 26 8.599 8.599 8.786 -0.187 17716 3614 1 11 . 1 1 27 27 GLY N N 27 104.570 104.570 105.497 -0.927 17716 3615 1 11 . 1 1 27 27 GLY C C 27 183.552 183.552 172.670 10.882 17716 3616 1 11 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.891 -0.430 17716 3617 1 11 . 1 1 27 27 GLY H H 27 9.063 9.063 8.177 0.886 17716 3618 1 11 . 1 1 28 28 MET N N 28 119.860 119.860 124.181 -4.321 17716 3619 1 11 . 1 1 28 28 MET HA H 28 5.302 5.302 4.750 0.552 17716 3620 1 11 . 1 1 28 28 MET C C 28 173.431 173.431 174.971 -1.540 17716 3621 1 11 . 1 1 28 28 MET CA C 28 52.106 52.106 54.896 -2.790 17716 3622 1 11 . 1 1 28 28 MET CB C 28 31.508 31.508 35.681 -4.173 17716 3623 1 11 . 1 1 28 28 MET H H 28 8.751 8.751 8.858 -0.107 17716 3624 1 11 . 1 1 29 29 GLU N N 29 123.440 123.440 124.957 -1.517 17716 3625 1 11 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.815 0.192 17716 3626 1 11 . 1 1 29 29 GLU C C 29 175.479 175.479 174.896 0.583 17716 3627 1 11 . 1 1 29 29 GLU CA C 29 54.099 54.099 55.364 -1.265 17716 3628 1 11 . 1 1 29 29 GLU CB C 29 34.430 34.430 32.569 1.861 17716 3629 1 11 . 1 1 29 29 GLU H H 29 8.904 8.904 8.540 0.364 17716 3630 1 11 . 1 1 30 30 ASN N N 30 123.219 123.219 124.417 -1.198 17716 3631 1 11 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.630 -0.007 17716 3632 1 11 . 1 1 30 30 ASN C C 30 176.886 176.886 176.387 0.499 17716 3633 1 11 . 1 1 30 30 ASN CA C 30 51.418 51.418 53.672 -2.254 17716 3634 1 11 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.772 -0.604 17716 3635 1 11 . 1 1 30 30 ASN H H 30 9.339 9.339 8.959 0.380 17716 3636 1 11 . 1 1 31 31 LYS N N 31 116.491 116.491 119.075 -2.584 17716 3637 1 11 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.072 -0.130 17716 3638 1 11 . 1 1 31 31 LYS C C 31 175.663 175.663 176.356 -0.693 17716 3639 1 11 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.319 -0.214 17716 3640 1 11 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.632 -0.203 17716 3641 1 11 . 1 1 31 31 LYS H H 31 8.512 8.512 8.907 -0.395 17716 3642 1 11 . 1 1 32 32 PHE N N 32 117.885 117.885 118.839 -0.954 17716 3643 1 11 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.580 0.175 17716 3644 1 11 . 1 1 32 32 PHE C C 32 176.060 176.060 176.012 0.048 17716 3645 1 11 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.151 -0.574 17716 3646 1 11 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.749 0.103 17716 3647 1 11 . 1 1 32 32 PHE H H 32 7.507 7.507 7.677 -0.170 17716 3648 1 11 . 1 1 33 33 GLY N N 33 108.245 108.245 107.845 0.400 17716 3649 1 11 . 1 1 33 33 GLY C C 33 173.828 173.828 173.971 -0.143 17716 3650 1 11 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.869 -0.223 17716 3651 1 11 . 1 1 33 33 GLY H H 33 8.062 8.062 8.131 -0.069 17716 3652 1 11 . 1 1 34 34 LYS N N 34 117.724 117.724 119.902 -2.178 17716 3653 1 11 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.522 0.120 17716 3654 1 11 . 1 1 34 34 LYS C C 34 175.862 175.862 175.565 0.297 17716 3655 1 11 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.690 -1.629 17716 3656 1 11 . 1 1 34 34 LYS CB C 34 34.193 34.193 34.826 -0.633 17716 3657 1 11 . 1 1 34 34 LYS H H 34 7.561 7.561 7.774 -0.213 17716 3658 1 11 . 1 1 35 35 SER N N 35 117.079 117.079 116.189 0.890 17716 3659 1 11 . 1 1 35 35 SER HA H 35 5.001 5.001 4.453 0.548 17716 3660 1 11 . 1 1 35 35 SER C C 35 174.210 174.210 174.115 0.095 17716 3661 1 11 . 1 1 35 35 SER CA C 35 57.953 57.953 58.587 -0.634 17716 3662 1 11 . 1 1 35 35 SER CB C 35 64.043 64.043 64.005 0.038 17716 3663 1 11 . 1 1 35 35 SER H H 35 8.588 8.588 8.401 0.187 17716 3664 1 11 . 1 1 36 36 MET N N 36 117.966 117.966 122.951 -4.985 17716 3665 1 11 . 1 1 36 36 MET HA H 36 4.765 4.765 4.502 0.263 17716 3666 1 11 . 1 1 36 36 MET C C 36 173.461 173.461 174.507 -1.046 17716 3667 1 11 . 1 1 36 36 MET CA C 36 54.055 54.055 54.497 -0.442 17716 3668 1 11 . 1 1 36 36 MET CB C 36 36.009 36.009 35.355 0.654 17716 3669 1 11 . 1 1 36 36 MET H H 36 8.044 8.044 7.916 0.128 17716 3670 1 11 . 1 1 37 37 ASN N N 37 122.101 122.101 125.766 -3.665 17716 3671 1 11 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.601 0.094 17716 3672 1 11 . 1 1 37 37 ASN C C 37 175.770 175.770 174.600 1.170 17716 3673 1 11 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.530 0.487 17716 3674 1 11 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.769 2.215 17716 3675 1 11 . 1 1 37 37 ASN H H 37 8.753 8.753 8.663 0.090 17716 3676 1 11 . 1 1 38 38 MET N N 38 122.627 122.627 127.449 -4.822 17716 3677 1 11 . 1 1 38 38 MET HA H 38 4.623 4.623 4.866 -0.243 17716 3678 1 11 . 1 1 38 38 MET CA C 38 54.093 54.093 52.545 1.548 17716 3679 1 11 . 1 1 38 38 MET CB C 38 38.708 38.708 34.297 4.412 17716 3680 1 11 . 1 1 38 38 MET H H 38 8.133 8.133 7.964 0.169 17716 3681 1 11 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.197 0.083 17716 3682 1 11 . 1 1 39 39 PRO C C 39 175.831 175.831 176.423 -0.592 17716 3683 1 11 . 1 1 39 39 PRO CA C 39 62.654 62.654 63.222 -0.569 17716 3684 1 11 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.288 0.168 17716 3685 1 11 . 1 1 40 40 GLU N N 40 120.437 120.437 123.215 -2.778 17716 3686 1 11 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.250 -0.554 17716 3687 1 11 . 1 1 40 40 GLU C C 40 177.757 177.757 176.933 0.824 17716 3688 1 11 . 1 1 40 40 GLU CA C 40 57.800 57.800 56.526 1.274 17716 3689 1 11 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.689 1.319 17716 3690 1 11 . 1 1 40 40 GLU H H 40 8.322 8.322 8.752 -0.430 17716 3691 1 11 . 1 1 41 41 GLY N N 41 112.092 112.092 113.070 -0.978 17716 3692 1 11 . 1 1 41 41 GLY C C 41 173.935 173.935 174.046 -0.111 17716 3693 1 11 . 1 1 41 41 GLY CA C 41 44.805 44.805 45.189 -0.384 17716 3694 1 11 . 1 1 41 41 GLY H H 41 9.188 9.188 8.344 0.844 17716 3695 1 11 . 1 1 42 42 LYS N N 42 120.325 120.325 123.841 -3.516 17716 3696 1 11 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.273 -0.025 17716 3697 1 11 . 1 1 42 42 LYS C C 42 175.755 175.755 176.766 -1.011 17716 3698 1 11 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.858 -0.160 17716 3699 1 11 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.639 1.212 17716 3700 1 11 . 1 1 42 42 LYS H H 42 6.967 6.967 7.701 -0.734 17716 3701 1 11 . 1 1 43 43 VAL N N 43 124.724 124.724 124.410 0.314 17716 3702 1 11 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.703 0.274 17716 3703 1 11 . 1 1 43 43 VAL C C 43 175.770 175.770 176.062 -0.292 17716 3704 1 11 . 1 1 43 43 VAL CA C 43 63.610 63.610 63.933 -0.323 17716 3705 1 11 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.727 0.255 17716 3706 1 11 . 1 1 43 43 VAL H H 43 8.572 8.572 8.053 0.519 17716 3707 1 11 . 1 1 44 44 MET N N 44 127.278 127.278 126.792 0.486 17716 3708 1 11 . 1 1 44 44 MET HA H 44 4.545 4.545 4.805 -0.260 17716 3709 1 11 . 1 1 44 44 MET C C 44 173.522 173.522 174.696 -1.174 17716 3710 1 11 . 1 1 44 44 MET CA C 44 53.558 53.558 54.497 -0.939 17716 3711 1 11 . 1 1 44 44 MET CB C 44 34.351 34.351 35.306 -0.955 17716 3712 1 11 . 1 1 44 44 MET H H 44 8.963 8.963 8.841 0.122 17716 3713 1 11 . 1 1 45 45 GLU N N 45 122.374 122.374 123.876 -1.502 17716 3714 1 11 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.015 0.094 17716 3715 1 11 . 1 1 45 45 GLU C C 45 176.320 176.320 176.556 -0.236 17716 3716 1 11 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.724 1.019 17716 3717 1 11 . 1 1 45 45 GLU CB C 45 31.982 31.982 31.919 0.063 17716 3718 1 11 . 1 1 45 45 GLU H H 45 8.668 8.668 8.754 -0.086 17716 3719 1 11 . 1 1 46 46 THR N N 46 116.696 116.696 118.205 -1.509 17716 3720 1 11 . 1 1 46 46 THR HA H 46 4.757 4.757 4.966 -0.209 17716 3721 1 11 . 1 1 46 46 THR C C 46 176.657 176.657 176.884 -0.227 17716 3722 1 11 . 1 1 46 46 THR CA C 46 61.317 61.317 60.806 0.511 17716 3723 1 11 . 1 1 46 46 THR CB C 46 70.203 70.203 71.033 -0.830 17716 3724 1 11 . 1 1 46 46 THR H H 46 9.083 9.083 8.150 0.933 17716 3725 1 11 . 1 1 47 47 ARG N N 47 119.546 119.546 122.917 -3.371 17716 3726 1 11 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.011 0.005 17716 3727 1 11 . 1 1 47 47 ARG C C 47 176.519 176.519 177.430 -0.911 17716 3728 1 11 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.195 0.096 17716 3729 1 11 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.520 0.172 17716 3730 1 11 . 1 1 47 47 ARG H H 47 8.580 8.580 8.557 0.023 17716 3731 1 11 . 1 1 48 48 ASP N N 48 114.579 114.579 117.264 -2.685 17716 3732 1 11 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.546 0.163 17716 3733 1 11 . 1 1 48 48 ASP C C 48 176.519 176.519 176.743 -0.224 17716 3734 1 11 . 1 1 48 48 ASP CA C 48 53.443 53.443 53.889 -0.446 17716 3735 1 11 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.266 0.166 17716 3736 1 11 . 1 1 48 48 ASP H H 48 7.884 7.884 8.178 -0.294 17716 3737 1 11 . 1 1 49 49 GLY N N 49 107.958 107.958 108.220 -0.262 17716 3738 1 11 . 1 1 49 49 GLY C C 49 174.547 174.547 174.439 0.108 17716 3739 1 11 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.440 -0.176 17716 3740 1 11 . 1 1 49 49 GLY H H 49 7.838 7.838 8.081 -0.243 17716 3741 1 11 . 1 1 50 50 THR N N 50 118.527 118.527 117.310 1.217 17716 3742 1 11 . 1 1 50 50 THR HA H 50 4.100 4.100 4.358 -0.258 17716 3743 1 11 . 1 1 50 50 THR C C 50 173.339 173.339 173.723 -0.384 17716 3744 1 11 . 1 1 50 50 THR CA C 50 63.381 63.381 61.857 1.524 17716 3745 1 11 . 1 1 50 50 THR CB C 50 68.781 68.781 69.822 -1.041 17716 3746 1 11 . 1 1 50 50 THR H H 50 7.783 7.783 8.105 -0.322 17716 3747 1 11 . 1 1 51 51 LYS N N 51 125.284 125.284 130.569 -5.285 17716 3748 1 11 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.371 0.700 17716 3749 1 11 . 1 1 51 51 LYS C C 51 176.137 176.137 175.907 0.230 17716 3750 1 11 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.605 -1.518 17716 3751 1 11 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.866 0.458 17716 3752 1 11 . 1 1 51 51 LYS H H 51 8.569 8.569 8.675 -0.106 17716 3753 1 11 . 1 1 52 52 ILE N N 52 123.781 123.781 123.584 0.197 17716 3754 1 11 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.439 -0.267 17716 3755 1 11 . 1 1 52 52 ILE C C 52 174.730 174.730 174.439 0.291 17716 3756 1 11 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.601 -0.042 17716 3757 1 11 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.562 1.291 17716 3758 1 11 . 1 1 52 52 ILE H H 52 8.887 8.887 8.681 0.206 17716 3759 1 11 . 1 1 53 53 ILE N N 53 128.421 128.421 124.421 4.000 17716 3760 1 11 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.294 -0.213 17716 3761 1 11 . 1 1 53 53 ILE C C 53 176.412 176.412 175.921 0.491 17716 3762 1 11 . 1 1 53 53 ILE CA C 53 60.476 60.476 59.097 1.379 17716 3763 1 11 . 1 1 53 53 ILE CB C 53 37.431 37.431 38.588 -1.157 17716 3764 1 11 . 1 1 53 53 ILE H H 53 8.567 8.567 8.555 0.012 17716 3765 1 11 . 1 1 54 54 MET N N 54 126.582 126.582 127.072 -0.490 17716 3766 1 11 . 1 1 54 54 MET HA H 54 4.282 4.282 4.325 -0.043 17716 3767 1 11 . 1 1 54 54 MET C C 54 174.547 174.547 175.923 -1.376 17716 3768 1 11 . 1 1 54 54 MET CA C 54 56.424 56.424 54.706 1.718 17716 3769 1 11 . 1 1 54 54 MET CB C 54 31.587 31.587 30.410 1.177 17716 3770 1 11 . 1 1 54 54 MET H H 54 8.886 8.886 8.910 -0.024 17716 3771 1 11 . 1 1 55 55 LYS N N 55 106.838 106.838 125.384 -18.546 17716 3772 1 11 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.149 0.555 17716 3773 1 11 . 1 1 55 55 LYS C C 55 175.051 175.051 178.131 -3.080 17716 3774 1 11 . 1 1 55 55 LYS CA C 55 55.431 55.431 59.032 -3.601 17716 3775 1 11 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.617 1.576 17716 3776 1 11 . 1 1 55 55 LYS H H 55 8.559 8.559 8.227 0.332 17716 3777 1 11 . 1 1 56 56 GLY N N 56 113.486 113.486 106.432 7.054 17716 3778 1 11 . 1 1 56 56 GLY C C 56 181.029 181.029 173.748 7.281 17716 3779 1 11 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.383 0.078 17716 3780 1 11 . 1 1 56 56 GLY H H 56 9.317 9.317 8.457 0.860 17716 3781 1 11 . 1 1 57 57 ASN N N 57 112.557 112.557 119.791 -7.234 17716 3782 1 11 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.580 0.150 17716 3783 1 11 . 1 1 57 57 ASN C C 57 177.023 177.023 176.052 0.971 17716 3784 1 11 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.876 0.102 17716 3785 1 11 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.992 -1.718 17716 3786 1 11 . 1 1 57 57 ASN H H 57 8.732 8.732 7.967 0.765 17716 3787 1 11 . 1 1 58 58 GLU N N 58 123.440 123.440 119.961 3.479 17716 3788 1 11 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.661 -0.287 17716 3789 1 11 . 1 1 58 58 GLU C C 58 176.244 176.244 177.392 -1.148 17716 3790 1 11 . 1 1 58 58 GLU CA C 58 54.743 54.743 54.671 0.072 17716 3791 1 11 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.399 0.398 17716 3792 1 11 . 1 1 58 58 GLU H H 58 9.124 9.124 8.362 0.762 17716 3793 1 11 . 1 1 59 59 ILE N N 59 120.912 120.912 117.626 3.286 17716 3794 1 11 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.802 -0.175 17716 3795 1 11 . 1 1 59 59 ILE C C 59 177.360 177.360 176.978 0.382 17716 3796 1 11 . 1 1 59 59 ILE CA C 59 64.833 64.833 64.046 0.787 17716 3797 1 11 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.462 0.364 17716 3798 1 11 . 1 1 59 59 ILE H H 59 7.703 7.703 7.622 0.081 17716 3799 1 11 . 1 1 60 60 PHE N N 60 119.669 119.669 119.932 -0.263 17716 3800 1 11 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.110 0.373 17716 3801 1 11 . 1 1 60 60 PHE C C 60 178.889 178.889 177.436 1.453 17716 3802 1 11 . 1 1 60 60 PHE CA C 60 60.514 60.514 61.471 -0.958 17716 3803 1 11 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.089 -0.026 17716 3804 1 11 . 1 1 60 60 PHE H H 60 7.934 7.934 7.693 0.241 17716 3805 1 11 . 1 1 61 61 ARG N N 61 119.587 119.587 119.794 -0.207 17716 3806 1 11 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.874 0.163 17716 3807 1 11 . 1 1 61 61 ARG C C 61 180.051 180.051 177.983 2.068 17716 3808 1 11 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.816 0.016 17716 3809 1 11 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.407 2.191 17716 3810 1 11 . 1 1 61 61 ARG H H 61 8.133 8.133 8.284 -0.151 17716 3811 1 11 . 1 1 62 62 LEU N N 62 121.008 121.008 114.658 6.350 17716 3812 1 11 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.656 -0.429 17716 3813 1 11 . 1 1 62 62 LEU CB C 62 41.236 41.236 41.658 -0.422 17716 3814 1 11 . 1 1 62 62 LEU H H 62 8.517 8.517 7.988 0.529 17716 3815 1 11 . 1 1 70 70 HIS C C 70 177.253 177.253 174.239 3.014 17716 3816 1 11 . 1 1 71 71 SER N N 71 121.301 121.301 115.869 5.432 17716 3817 1 11 . 1 1 71 71 SER C C 71 173.461 173.461 173.355 0.106 17716 3818 1 11 . 1 1 71 71 SER CA C 71 58.259 58.259 57.863 0.396 17716 3819 1 11 . 1 1 71 71 SER H H 71 8.652 8.652 8.488 0.164 17716 3820 1 11 . 1 1 72 72 GLU N N 72 122.601 122.601 126.971 -4.370 17716 3821 1 11 . 1 1 72 72 GLU C C 72 176.916 176.916 176.368 0.548 17716 3822 1 11 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.383 -1.602 17716 3823 1 11 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.269 0.739 17716 3824 1 11 . 1 1 72 72 GLU H H 72 8.705 8.705 8.785 -0.080 17716 3825 1 11 . 1 1 73 73 GLY N N 73 110.370 110.370 114.154 -3.784 17716 3826 1 11 . 1 1 73 73 GLY C C 73 173.736 173.736 174.937 -1.201 17716 3827 1 11 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.574 -0.310 17716 3828 1 11 . 1 1 73 73 GLY H H 73 8.441 8.441 8.435 0.006 17716 3829 1 12 . 1 1 2 2 ASP N N 2 117.290 117.290 123.653 -6.363 17716 3830 1 12 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.078 0.960 17716 3831 1 12 . 1 1 2 2 ASP H H 2 8.582 8.582 8.259 0.323 17716 3832 1 12 . 1 1 3 3 MET N N 3 117.021 117.021 120.526 -3.505 17716 3833 1 12 . 1 1 3 3 MET CA C 3 58.045 58.045 57.213 0.832 17716 3834 1 12 . 1 1 3 3 MET H H 3 8.539 8.539 8.207 0.332 17716 3835 1 12 . 1 1 4 4 SER N N 4 121.274 121.274 114.330 6.944 17716 3836 1 12 . 1 1 4 4 SER C C 4 176.458 176.458 174.759 1.699 17716 3837 1 12 . 1 1 4 4 SER CA C 4 59.826 59.826 59.642 0.184 17716 3838 1 12 . 1 1 4 4 SER H H 4 8.699 8.699 8.311 0.388 17716 3839 1 12 . 1 1 5 5 ASN N N 5 115.377 115.377 117.965 -2.588 17716 3840 1 12 . 1 1 5 5 ASN CA C 5 53.214 53.214 55.030 -1.816 17716 3841 1 12 . 1 1 5 5 ASN H H 5 8.125 8.125 8.067 0.058 17716 3842 1 12 . 1 1 6 6 VAL N N 6 121.274 121.274 117.907 3.367 17716 3843 1 12 . 1 1 6 6 VAL C C 6 175.755 175.755 176.586 -0.831 17716 3844 1 12 . 1 1 6 6 VAL CA C 6 63.534 63.534 63.488 0.046 17716 3845 1 12 . 1 1 6 6 VAL H H 6 7.572 7.572 8.079 -0.507 17716 3846 1 12 . 1 1 7 7 VAL N N 7 125.259 125.259 120.095 5.164 17716 3847 1 12 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.179 0.117 17716 3848 1 12 . 1 1 7 7 VAL C C 7 175.602 175.602 174.950 0.652 17716 3849 1 12 . 1 1 7 7 VAL CA C 7 63.725 63.725 62.486 1.239 17716 3850 1 12 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.726 0.058 17716 3851 1 12 . 1 1 7 7 VAL H H 7 8.572 8.572 8.565 0.007 17716 3852 1 12 . 1 1 8 8 LYS N N 8 121.875 121.875 120.882 0.993 17716 3853 1 12 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.314 0.024 17716 3854 1 12 . 1 1 8 8 LYS C C 8 172.743 172.743 174.117 -1.374 17716 3855 1 12 . 1 1 8 8 LYS CA C 8 55.507 55.507 56.706 -1.199 17716 3856 1 12 . 1 1 8 8 LYS CB C 8 36.176 36.176 34.153 2.023 17716 3857 1 12 . 1 1 8 8 LYS H H 8 7.437 7.437 7.561 -0.123 17716 3858 1 12 . 1 1 9 9 THR N N 9 121.187 121.187 121.473 -0.286 17716 3859 1 12 . 1 1 9 9 THR HA H 9 5.106 5.106 4.832 0.274 17716 3860 1 12 . 1 1 9 9 THR C C 9 173.660 173.660 173.125 0.535 17716 3861 1 12 . 1 1 9 9 THR CA C 9 61.928 61.928 61.512 0.416 17716 3862 1 12 . 1 1 9 9 THR CB C 9 71.703 71.703 70.152 1.551 17716 3863 1 12 . 1 1 9 9 THR H H 9 8.041 8.041 7.913 0.128 17716 3864 1 12 . 1 1 10 10 TYR N N 10 123.795 123.795 125.722 -1.927 17716 3865 1 12 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.605 0.181 17716 3866 1 12 . 1 1 10 10 TYR C C 10 174.684 174.684 175.180 -0.496 17716 3867 1 12 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.663 -0.315 17716 3868 1 12 . 1 1 10 10 TYR CB C 10 40.274 40.274 38.609 1.665 17716 3869 1 12 . 1 1 10 10 TYR H H 10 9.078 9.078 8.165 0.913 17716 3870 1 12 . 1 1 11 11 ASP N N 11 123.002 123.002 125.908 -2.906 17716 3871 1 12 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.613 0.142 17716 3872 1 12 . 1 1 11 11 ASP C C 11 176.137 176.137 176.219 -0.082 17716 3873 1 12 . 1 1 11 11 ASP CA C 11 54.666 54.666 54.488 0.178 17716 3874 1 12 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.142 1.553 17716 3875 1 12 . 1 1 11 11 ASP H H 11 8.814 8.814 8.849 -0.035 17716 3876 1 12 . 1 1 12 12 LEU N N 12 121.896 121.896 124.336 -2.440 17716 3877 1 12 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.267 0.540 17716 3878 1 12 . 1 1 12 12 LEU C C 12 179.072 179.072 178.417 0.655 17716 3879 1 12 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.908 -1.968 17716 3880 1 12 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.194 -1.210 17716 3881 1 12 . 1 1 12 12 LEU H H 12 8.606 8.606 8.156 0.450 17716 3882 1 12 . 1 1 13 13 GLN N N 13 119.615 119.615 123.357 -3.742 17716 3883 1 12 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.110 -0.133 17716 3884 1 12 . 1 1 13 13 GLN C C 13 175.923 175.923 176.659 -0.736 17716 3885 1 12 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.552 -0.064 17716 3886 1 12 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.879 -0.609 17716 3887 1 12 . 1 1 13 13 GLN H H 13 8.360 8.360 8.552 -0.192 17716 3888 1 12 . 1 1 14 14 ASP N N 14 115.289 115.289 117.021 -1.732 17716 3889 1 12 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.650 -0.163 17716 3890 1 12 . 1 1 14 14 ASP C C 14 177.161 177.161 176.577 0.584 17716 3891 1 12 . 1 1 14 14 ASP CA C 14 53.405 53.405 54.082 -0.677 17716 3892 1 12 . 1 1 14 14 ASP CB C 14 39.879 39.879 39.633 0.246 17716 3893 1 12 . 1 1 14 14 ASP H H 14 7.843 7.843 8.087 -0.244 17716 3894 1 12 . 1 1 15 15 GLY N N 15 107.917 107.917 107.152 0.765 17716 3895 1 12 . 1 1 15 15 GLY C C 15 174.333 174.333 174.621 -0.288 17716 3896 1 12 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.654 -0.466 17716 3897 1 12 . 1 1 15 15 GLY H H 15 7.799 7.799 7.670 0.129 17716 3898 1 12 . 1 1 16 16 SER N N 16 116.054 116.054 116.583 -0.529 17716 3899 1 12 . 1 1 16 16 SER HA H 16 4.405 4.405 4.386 0.019 17716 3900 1 12 . 1 1 16 16 SER C C 16 172.146 172.146 173.626 -1.480 17716 3901 1 12 . 1 1 16 16 SER CA C 16 58.450 58.450 58.865 -0.415 17716 3902 1 12 . 1 1 16 16 SER CB C 16 64.517 64.517 64.169 0.348 17716 3903 1 12 . 1 1 16 16 SER H H 16 7.927 7.927 7.870 0.057 17716 3904 1 12 . 1 1 17 17 LYS N N 17 117.434 117.434 120.059 -2.625 17716 3905 1 12 . 1 1 17 17 LYS HA H 17 5.183 5.183 4.706 0.477 17716 3906 1 12 . 1 1 17 17 LYS C C 17 175.724 175.724 174.918 0.806 17716 3907 1 12 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.935 -0.886 17716 3908 1 12 . 1 1 17 17 LYS CB C 17 37.668 37.668 35.307 2.361 17716 3909 1 12 . 1 1 17 17 LYS H H 17 9.127 9.127 7.857 1.270 17716 3910 1 12 . 1 1 18 18 VAL N N 18 117.543 117.543 125.104 -7.561 17716 3911 1 12 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.894 0.121 17716 3912 1 12 . 1 1 18 18 VAL C C 18 183.445 183.445 175.079 8.366 17716 3913 1 12 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.605 -2.926 17716 3914 1 12 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.199 1.310 17716 3915 1 12 . 1 1 18 18 VAL H H 18 8.580 8.580 8.299 0.281 17716 3916 1 12 . 1 1 19 19 HIS N N 19 128.371 128.371 122.462 5.909 17716 3917 1 12 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.141 -0.135 17716 3918 1 12 . 1 1 19 19 HIS C C 19 174.302 174.302 173.560 0.742 17716 3919 1 12 . 1 1 19 19 HIS CA C 19 54.590 54.590 53.929 0.661 17716 3920 1 12 . 1 1 19 19 HIS CB C 19 33.087 33.087 31.936 1.151 17716 3921 1 12 . 1 1 19 19 HIS H H 19 8.901 8.901 9.002 -0.101 17716 3922 1 12 . 1 1 20 20 VAL N N 20 123.150 123.150 120.820 2.330 17716 3923 1 12 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.604 -0.158 17716 3924 1 12 . 1 1 20 20 VAL C C 20 176.045 176.045 173.675 2.370 17716 3925 1 12 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.369 1.139 17716 3926 1 12 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.555 -0.941 17716 3927 1 12 . 1 1 20 20 VAL H H 20 9.351 9.351 7.505 1.846 17716 3928 1 12 . 1 1 21 21 PHE N N 21 124.942 124.942 123.004 1.938 17716 3929 1 12 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.607 0.279 17716 3930 1 12 . 1 1 21 21 PHE C C 21 178.613 178.613 177.970 0.643 17716 3931 1 12 . 1 1 21 21 PHE CA C 21 58.718 58.718 56.789 1.929 17716 3932 1 12 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.608 1.060 17716 3933 1 12 . 1 1 21 21 PHE H H 21 9.324 9.324 8.437 0.887 17716 3934 1 12 . 1 1 22 22 LYS N N 22 122.104 122.104 121.048 1.056 17716 3935 1 12 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.195 -0.256 17716 3936 1 12 . 1 1 22 22 LYS C C 22 175.969 175.969 176.553 -0.584 17716 3937 1 12 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.760 1.104 17716 3938 1 12 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.101 0.513 17716 3939 1 12 . 1 1 22 22 LYS H H 22 8.411 8.411 8.847 -0.436 17716 3940 1 12 . 1 1 23 23 ASP N N 23 114.797 114.797 117.134 -2.337 17716 3941 1 12 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.622 -0.133 17716 3942 1 12 . 1 1 23 23 ASP C C 23 176.794 176.794 177.321 -0.527 17716 3943 1 12 . 1 1 23 23 ASP CA C 23 53.405 53.405 54.339 -0.934 17716 3944 1 12 . 1 1 23 23 ASP CB C 23 39.642 39.642 39.984 -0.342 17716 3945 1 12 . 1 1 23 23 ASP H H 23 8.006 8.006 8.066 -0.060 17716 3946 1 12 . 1 1 24 24 GLY N N 24 109.105 109.105 107.351 1.754 17716 3947 1 12 . 1 1 24 24 GLY C C 24 173.844 173.844 174.292 -0.448 17716 3948 1 12 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.244 -0.248 17716 3949 1 12 . 1 1 24 24 GLY H H 24 8.346 8.346 7.485 0.861 17716 3950 1 12 . 1 1 25 25 LYS N N 25 117.557 117.557 120.681 -3.124 17716 3951 1 12 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.404 -0.050 17716 3952 1 12 . 1 1 25 25 LYS C C 25 175.862 175.862 176.295 -0.433 17716 3953 1 12 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.147 0.031 17716 3954 1 12 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.194 0.446 17716 3955 1 12 . 1 1 25 25 LYS H H 25 7.584 7.584 8.049 -0.465 17716 3956 1 12 . 1 1 26 26 MET N N 26 116.628 116.628 119.807 -3.179 17716 3957 1 12 . 1 1 26 26 MET HA H 26 5.995 5.995 4.636 1.359 17716 3958 1 12 . 1 1 26 26 MET C C 26 175.724 175.724 176.457 -0.733 17716 3959 1 12 . 1 1 26 26 MET CA C 26 55.469 55.469 56.197 -0.728 17716 3960 1 12 . 1 1 26 26 MET CB C 26 36.562 36.562 34.586 1.976 17716 3961 1 12 . 1 1 26 26 MET H H 26 8.599 8.599 8.687 -0.088 17716 3962 1 12 . 1 1 27 27 GLY N N 27 104.570 104.570 105.080 -0.510 17716 3963 1 12 . 1 1 27 27 GLY C C 27 183.552 183.552 173.041 10.511 17716 3964 1 12 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.975 -0.514 17716 3965 1 12 . 1 1 27 27 GLY H H 27 9.063 9.063 8.266 0.797 17716 3966 1 12 . 1 1 28 28 MET N N 28 119.860 119.860 122.048 -2.188 17716 3967 1 12 . 1 1 28 28 MET HA H 28 5.302 5.302 4.631 0.671 17716 3968 1 12 . 1 1 28 28 MET C C 28 173.431 173.431 175.319 -1.888 17716 3969 1 12 . 1 1 28 28 MET CA C 28 52.106 52.106 54.740 -2.634 17716 3970 1 12 . 1 1 28 28 MET CB C 28 31.508 31.508 32.815 -1.307 17716 3971 1 12 . 1 1 28 28 MET H H 28 8.751 8.751 8.924 -0.173 17716 3972 1 12 . 1 1 29 29 GLU N N 29 123.440 123.440 121.703 1.737 17716 3973 1 12 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.912 0.095 17716 3974 1 12 . 1 1 29 29 GLU C C 29 175.479 175.479 175.474 0.005 17716 3975 1 12 . 1 1 29 29 GLU CA C 29 54.099 54.099 55.378 -1.279 17716 3976 1 12 . 1 1 29 29 GLU CB C 29 34.430 34.430 32.470 1.960 17716 3977 1 12 . 1 1 29 29 GLU H H 29 8.904 8.904 8.383 0.521 17716 3978 1 12 . 1 1 30 30 ASN N N 30 123.219 123.219 124.195 -0.976 17716 3979 1 12 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.719 -0.096 17716 3980 1 12 . 1 1 30 30 ASN C C 30 176.886 176.886 176.463 0.423 17716 3981 1 12 . 1 1 30 30 ASN CA C 30 51.418 51.418 51.474 -0.056 17716 3982 1 12 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.724 -0.556 17716 3983 1 12 . 1 1 30 30 ASN H H 30 9.339 9.339 9.039 0.300 17716 3984 1 12 . 1 1 31 31 LYS N N 31 116.491 116.491 121.245 -4.754 17716 3985 1 12 . 1 1 31 31 LYS HA H 31 3.942 3.942 3.996 -0.054 17716 3986 1 12 . 1 1 31 31 LYS C C 31 175.663 175.663 176.722 -1.059 17716 3987 1 12 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.883 -0.777 17716 3988 1 12 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.491 -0.062 17716 3989 1 12 . 1 1 31 31 LYS H H 31 8.512 8.512 8.746 -0.234 17716 3990 1 12 . 1 1 32 32 PHE N N 32 117.885 117.885 116.071 1.814 17716 3991 1 12 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.511 0.244 17716 3992 1 12 . 1 1 32 32 PHE C C 32 176.060 176.060 176.151 -0.091 17716 3993 1 12 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.732 -1.155 17716 3994 1 12 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.237 0.615 17716 3995 1 12 . 1 1 32 32 PHE H H 32 7.507 7.507 8.160 -0.653 17716 3996 1 12 . 1 1 33 33 GLY N N 33 108.245 108.245 107.889 0.356 17716 3997 1 12 . 1 1 33 33 GLY C C 33 173.828 173.828 174.492 -0.664 17716 3998 1 12 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.626 0.020 17716 3999 1 12 . 1 1 33 33 GLY H H 33 8.062 8.062 8.175 -0.113 17716 4000 1 12 . 1 1 34 34 LYS N N 34 117.724 117.724 120.971 -3.247 17716 4001 1 12 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.505 0.137 17716 4002 1 12 . 1 1 34 34 LYS C C 34 175.862 175.862 176.187 -0.325 17716 4003 1 12 . 1 1 34 34 LYS CA C 34 53.061 53.061 55.538 -2.477 17716 4004 1 12 . 1 1 34 34 LYS CB C 34 34.193 34.193 33.777 0.416 17716 4005 1 12 . 1 1 34 34 LYS H H 34 7.561 7.561 8.648 -1.087 17716 4006 1 12 . 1 1 35 35 SER N N 35 117.079 117.079 117.000 0.079 17716 4007 1 12 . 1 1 35 35 SER HA H 35 5.001 5.001 4.875 0.126 17716 4008 1 12 . 1 1 35 35 SER C C 35 174.210 174.210 174.474 -0.264 17716 4009 1 12 . 1 1 35 35 SER CA C 35 57.953 57.953 58.048 -0.095 17716 4010 1 12 . 1 1 35 35 SER CB C 35 64.043 64.043 64.108 -0.065 17716 4011 1 12 . 1 1 35 35 SER H H 35 8.588 8.588 8.543 0.045 17716 4012 1 12 . 1 1 36 36 MET N N 36 117.966 117.966 122.707 -4.741 17716 4013 1 12 . 1 1 36 36 MET HA H 36 4.765 4.765 4.476 0.289 17716 4014 1 12 . 1 1 36 36 MET C C 36 173.461 173.461 175.265 -1.804 17716 4015 1 12 . 1 1 36 36 MET CA C 36 54.055 54.055 53.600 0.455 17716 4016 1 12 . 1 1 36 36 MET CB C 36 36.009 36.009 33.827 2.182 17716 4017 1 12 . 1 1 36 36 MET H H 36 8.044 8.044 8.491 -0.447 17716 4018 1 12 . 1 1 37 37 ASN N N 37 122.101 122.101 126.318 -4.217 17716 4019 1 12 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.616 0.079 17716 4020 1 12 . 1 1 37 37 ASN C C 37 175.770 175.770 174.517 1.253 17716 4021 1 12 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.634 0.383 17716 4022 1 12 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.591 2.393 17716 4023 1 12 . 1 1 37 37 ASN H H 37 8.753 8.753 8.845 -0.091 17716 4024 1 12 . 1 1 38 38 MET N N 38 122.627 122.627 126.728 -4.101 17716 4025 1 12 . 1 1 38 38 MET HA H 38 4.623 4.623 4.979 -0.355 17716 4026 1 12 . 1 1 38 38 MET CA C 38 54.093 54.093 52.257 1.837 17716 4027 1 12 . 1 1 38 38 MET CB C 38 38.708 38.708 35.084 3.623 17716 4028 1 12 . 1 1 38 38 MET H H 38 8.133 8.133 8.170 -0.037 17716 4029 1 12 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.804 -0.524 17716 4030 1 12 . 1 1 39 39 PRO C C 39 175.831 175.831 176.776 -0.945 17716 4031 1 12 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.062 0.592 17716 4032 1 12 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.702 -0.246 17716 4033 1 12 . 1 1 40 40 GLU N N 40 120.437 120.437 119.973 0.464 17716 4034 1 12 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.369 -0.673 17716 4035 1 12 . 1 1 40 40 GLU C C 40 177.757 177.757 177.168 0.589 17716 4036 1 12 . 1 1 40 40 GLU CA C 40 57.800 57.800 56.910 0.890 17716 4037 1 12 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.214 0.794 17716 4038 1 12 . 1 1 40 40 GLU H H 40 8.322 8.322 8.602 -0.280 17716 4039 1 12 . 1 1 41 41 GLY N N 41 112.092 112.092 112.769 -0.677 17716 4040 1 12 . 1 1 41 41 GLY C C 41 173.935 173.935 174.758 -0.823 17716 4041 1 12 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.722 0.083 17716 4042 1 12 . 1 1 41 41 GLY H H 41 9.188 9.188 8.548 0.640 17716 4043 1 12 . 1 1 42 42 LYS N N 42 120.325 120.325 124.035 -3.710 17716 4044 1 12 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.324 -0.076 17716 4045 1 12 . 1 1 42 42 LYS C C 42 175.755 175.755 176.333 -0.578 17716 4046 1 12 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.911 -0.213 17716 4047 1 12 . 1 1 42 42 LYS CB C 42 32.851 32.851 32.046 0.805 17716 4048 1 12 . 1 1 42 42 LYS H H 42 6.967 6.967 7.587 -0.620 17716 4049 1 12 . 1 1 43 43 VAL N N 43 124.724 124.724 124.948 -0.224 17716 4050 1 12 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.854 0.123 17716 4051 1 12 . 1 1 43 43 VAL C C 43 175.770 175.770 176.300 -0.530 17716 4052 1 12 . 1 1 43 43 VAL CA C 43 63.610 63.610 63.208 0.402 17716 4053 1 12 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.278 0.704 17716 4054 1 12 . 1 1 43 43 VAL H H 43 8.572 8.572 8.128 0.444 17716 4055 1 12 . 1 1 44 44 MET N N 44 127.278 127.278 126.775 0.503 17716 4056 1 12 . 1 1 44 44 MET HA H 44 4.545 4.545 4.830 -0.285 17716 4057 1 12 . 1 1 44 44 MET C C 44 173.522 173.522 174.948 -1.426 17716 4058 1 12 . 1 1 44 44 MET CA C 44 53.558 53.558 54.607 -1.049 17716 4059 1 12 . 1 1 44 44 MET CB C 44 34.351 34.351 35.133 -0.782 17716 4060 1 12 . 1 1 44 44 MET H H 44 8.963 8.963 8.534 0.429 17716 4061 1 12 . 1 1 45 45 GLU N N 45 122.374 122.374 121.656 0.718 17716 4062 1 12 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.496 -0.387 17716 4063 1 12 . 1 1 45 45 GLU C C 45 176.320 176.320 176.838 -0.518 17716 4064 1 12 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.412 1.331 17716 4065 1 12 . 1 1 45 45 GLU CB C 45 31.982 31.982 33.286 -1.304 17716 4066 1 12 . 1 1 45 45 GLU H H 45 8.668 8.668 8.556 0.112 17716 4067 1 12 . 1 1 46 46 THR N N 46 116.696 116.696 118.087 -1.391 17716 4068 1 12 . 1 1 46 46 THR HA H 46 4.757 4.757 4.595 0.162 17716 4069 1 12 . 1 1 46 46 THR C C 46 176.657 176.657 176.085 0.572 17716 4070 1 12 . 1 1 46 46 THR CA C 46 61.317 61.317 61.940 -0.623 17716 4071 1 12 . 1 1 46 46 THR CB C 46 70.203 70.203 69.962 0.241 17716 4072 1 12 . 1 1 46 46 THR H H 46 9.083 9.083 8.209 0.874 17716 4073 1 12 . 1 1 47 47 ARG N N 47 119.546 119.546 120.145 -0.599 17716 4074 1 12 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.050 -0.034 17716 4075 1 12 . 1 1 47 47 ARG C C 47 176.519 176.519 177.372 -0.853 17716 4076 1 12 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.243 0.048 17716 4077 1 12 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.968 -0.276 17716 4078 1 12 . 1 1 47 47 ARG H H 47 8.580 8.580 8.331 0.249 17716 4079 1 12 . 1 1 48 48 ASP N N 48 114.579 114.579 116.099 -1.520 17716 4080 1 12 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.538 0.171 17716 4081 1 12 . 1 1 48 48 ASP C C 48 176.519 176.519 177.069 -0.550 17716 4082 1 12 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.289 -0.847 17716 4083 1 12 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.874 -0.442 17716 4084 1 12 . 1 1 48 48 ASP H H 48 7.884 7.884 8.016 -0.132 17716 4085 1 12 . 1 1 49 49 GLY N N 49 107.958 107.958 108.124 -0.166 17716 4086 1 12 . 1 1 49 49 GLY C C 49 174.547 174.547 174.077 0.470 17716 4087 1 12 . 1 1 49 49 GLY CA C 49 45.264 45.264 44.668 0.596 17716 4088 1 12 . 1 1 49 49 GLY H H 49 7.838 7.838 7.667 0.171 17716 4089 1 12 . 1 1 50 50 THR N N 50 118.527 118.527 117.521 1.006 17716 4090 1 12 . 1 1 50 50 THR HA H 50 4.100 4.100 4.353 -0.253 17716 4091 1 12 . 1 1 50 50 THR C C 50 173.339 173.339 173.522 -0.183 17716 4092 1 12 . 1 1 50 50 THR CA C 50 63.381 63.381 62.595 0.786 17716 4093 1 12 . 1 1 50 50 THR CB C 50 68.781 68.781 70.136 -1.355 17716 4094 1 12 . 1 1 50 50 THR H H 50 7.783 7.783 8.526 -0.743 17716 4095 1 12 . 1 1 51 51 LYS N N 51 125.284 125.284 128.797 -3.513 17716 4096 1 12 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.569 0.502 17716 4097 1 12 . 1 1 51 51 LYS C C 51 176.137 176.137 175.943 0.194 17716 4098 1 12 . 1 1 51 51 LYS CA C 51 55.087 55.087 55.722 -0.635 17716 4099 1 12 . 1 1 51 51 LYS CB C 51 33.324 33.324 33.180 0.144 17716 4100 1 12 . 1 1 51 51 LYS H H 51 8.569 8.569 8.535 0.034 17716 4101 1 12 . 1 1 52 52 ILE N N 52 123.781 123.781 124.087 -0.306 17716 4102 1 12 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.378 -0.206 17716 4103 1 12 . 1 1 52 52 ILE C C 52 174.730 174.730 174.140 0.590 17716 4104 1 12 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.518 0.041 17716 4105 1 12 . 1 1 52 52 ILE CB C 52 41.853 41.853 39.876 1.977 17716 4106 1 12 . 1 1 52 52 ILE H H 52 8.887 8.887 8.172 0.715 17716 4107 1 12 . 1 1 53 53 ILE N N 53 128.421 128.421 125.019 3.402 17716 4108 1 12 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.265 -0.184 17716 4109 1 12 . 1 1 53 53 ILE C C 53 176.412 176.412 175.709 0.703 17716 4110 1 12 . 1 1 53 53 ILE CA C 53 60.476 60.476 59.177 1.299 17716 4111 1 12 . 1 1 53 53 ILE CB C 53 37.431 37.431 38.577 -1.146 17716 4112 1 12 . 1 1 53 53 ILE H H 53 8.567 8.567 8.566 0.001 17716 4113 1 12 . 1 1 54 54 MET N N 54 126.582 126.582 127.145 -0.563 17716 4114 1 12 . 1 1 54 54 MET HA H 54 4.282 4.282 4.393 -0.111 17716 4115 1 12 . 1 1 54 54 MET C C 54 174.547 174.547 176.107 -1.560 17716 4116 1 12 . 1 1 54 54 MET CA C 54 56.424 56.424 54.340 2.084 17716 4117 1 12 . 1 1 54 54 MET CB C 54 31.587 31.587 31.192 0.395 17716 4118 1 12 . 1 1 54 54 MET H H 54 8.886 8.886 8.750 0.136 17716 4119 1 12 . 1 1 55 55 LYS N N 55 106.838 106.838 125.440 -18.602 17716 4120 1 12 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.342 0.362 17716 4121 1 12 . 1 1 55 55 LYS C C 55 175.051 175.051 177.786 -2.735 17716 4122 1 12 . 1 1 55 55 LYS CA C 55 55.431 55.431 57.566 -2.135 17716 4123 1 12 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.575 1.618 17716 4124 1 12 . 1 1 55 55 LYS H H 55 8.559 8.559 7.877 0.682 17716 4125 1 12 . 1 1 56 56 GLY N N 56 113.486 113.486 107.716 5.770 17716 4126 1 12 . 1 1 56 56 GLY C C 56 181.029 181.029 173.809 7.220 17716 4127 1 12 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.236 0.224 17716 4128 1 12 . 1 1 56 56 GLY H H 56 9.317 9.317 8.356 0.961 17716 4129 1 12 . 1 1 57 57 ASN N N 57 112.557 112.557 119.576 -7.019 17716 4130 1 12 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.687 0.043 17716 4131 1 12 . 1 1 57 57 ASN C C 57 177.023 177.023 176.368 0.655 17716 4132 1 12 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.185 -0.207 17716 4133 1 12 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.980 -1.707 17716 4134 1 12 . 1 1 57 57 ASN H H 57 8.732 8.732 7.787 0.945 17716 4135 1 12 . 1 1 58 58 GLU N N 58 123.440 123.440 121.767 1.673 17716 4136 1 12 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.369 0.005 17716 4137 1 12 . 1 1 58 58 GLU C C 58 176.244 176.244 177.357 -1.113 17716 4138 1 12 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.140 -0.397 17716 4139 1 12 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.520 0.277 17716 4140 1 12 . 1 1 58 58 GLU H H 58 9.124 9.124 8.401 0.723 17716 4141 1 12 . 1 1 59 59 ILE N N 59 120.912 120.912 118.499 2.413 17716 4142 1 12 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.840 -0.213 17716 4143 1 12 . 1 1 59 59 ILE C C 59 177.360 177.360 177.113 0.247 17716 4144 1 12 . 1 1 59 59 ILE CA C 59 64.833 64.833 64.156 0.677 17716 4145 1 12 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.573 0.253 17716 4146 1 12 . 1 1 59 59 ILE H H 59 7.703 7.703 8.238 -0.535 17716 4147 1 12 . 1 1 60 60 PHE N N 60 119.669 119.669 120.973 -1.304 17716 4148 1 12 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.134 0.349 17716 4149 1 12 . 1 1 60 60 PHE C C 60 178.889 178.889 176.684 2.205 17716 4150 1 12 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.610 -0.096 17716 4151 1 12 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.924 -0.861 17716 4152 1 12 . 1 1 60 60 PHE H H 60 7.934 7.934 8.083 -0.149 17716 4153 1 12 . 1 1 61 61 ARG N N 61 119.587 119.587 119.046 0.541 17716 4154 1 12 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.903 0.134 17716 4155 1 12 . 1 1 61 61 ARG C C 61 180.051 180.051 177.962 2.089 17716 4156 1 12 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.144 0.688 17716 4157 1 12 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.309 2.288 17716 4158 1 12 . 1 1 61 61 ARG H H 61 8.133 8.133 8.214 -0.081 17716 4159 1 12 . 1 1 62 62 LEU N N 62 121.008 121.008 119.726 1.282 17716 4160 1 12 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.146 0.081 17716 4161 1 12 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.168 -0.932 17716 4162 1 12 . 1 1 62 62 LEU H H 62 8.517 8.517 7.886 0.631 17716 4163 1 12 . 1 1 70 70 HIS C C 70 177.253 177.253 175.911 1.342 17716 4164 1 12 . 1 1 71 71 SER N N 71 121.301 121.301 114.453 6.848 17716 4165 1 12 . 1 1 71 71 SER C C 71 173.461 173.461 175.606 -2.145 17716 4166 1 12 . 1 1 71 71 SER CA C 71 58.259 58.259 57.850 0.409 17716 4167 1 12 . 1 1 71 71 SER H H 71 8.652 8.652 7.907 0.745 17716 4168 1 12 . 1 1 72 72 GLU N N 72 122.601 122.601 125.331 -2.730 17716 4169 1 12 . 1 1 72 72 GLU C C 72 176.916 176.916 176.953 -0.037 17716 4170 1 12 . 1 1 72 72 GLU CA C 72 54.781 54.781 57.606 -2.825 17716 4171 1 12 . 1 1 72 72 GLU CB C 72 30.008 30.008 30.009 -0.001 17716 4172 1 12 . 1 1 72 72 GLU H H 72 8.705 8.705 8.683 0.022 17716 4173 1 12 . 1 1 73 73 GLY N N 73 110.370 110.370 108.521 1.849 17716 4174 1 12 . 1 1 73 73 GLY C C 73 173.736 173.736 173.841 -0.105 17716 4175 1 12 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.273 -0.008 17716 4176 1 12 . 1 1 73 73 GLY H H 73 8.441 8.441 7.642 0.799 17716 4177 1 13 . 1 1 2 2 ASP N N 2 117.290 117.290 119.155 -1.865 17716 4178 1 13 . 1 1 2 2 ASP CA C 2 55.038 55.038 55.167 -0.129 17716 4179 1 13 . 1 1 2 2 ASP H H 2 8.582 8.582 8.259 0.323 17716 4180 1 13 . 1 1 3 3 MET N N 3 117.021 117.021 118.183 -1.162 17716 4181 1 13 . 1 1 3 3 MET CA C 3 58.045 58.045 57.241 0.804 17716 4182 1 13 . 1 1 3 3 MET H H 3 8.539 8.539 8.443 0.096 17716 4183 1 13 . 1 1 4 4 SER N N 4 121.274 121.274 111.815 9.459 17716 4184 1 13 . 1 1 4 4 SER C C 4 176.458 176.458 174.527 1.931 17716 4185 1 13 . 1 1 4 4 SER CA C 4 59.826 59.826 59.556 0.270 17716 4186 1 13 . 1 1 4 4 SER H H 4 8.699 8.699 8.109 0.590 17716 4187 1 13 . 1 1 5 5 ASN N N 5 115.377 115.377 120.050 -4.673 17716 4188 1 13 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.500 -0.286 17716 4189 1 13 . 1 1 5 5 ASN H H 5 8.125 8.125 7.349 0.776 17716 4190 1 13 . 1 1 6 6 VAL N N 6 121.274 121.274 124.952 -3.678 17716 4191 1 13 . 1 1 6 6 VAL C C 6 175.755 175.755 176.329 -0.574 17716 4192 1 13 . 1 1 6 6 VAL CA C 6 63.534 63.534 62.965 0.569 17716 4193 1 13 . 1 1 6 6 VAL H H 6 7.572 7.572 8.387 -0.815 17716 4194 1 13 . 1 1 7 7 VAL N N 7 125.259 125.259 124.537 0.722 17716 4195 1 13 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.134 0.162 17716 4196 1 13 . 1 1 7 7 VAL C C 7 175.602 175.602 175.722 -0.120 17716 4197 1 13 . 1 1 7 7 VAL CA C 7 63.725 63.725 61.128 2.597 17716 4198 1 13 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.723 0.061 17716 4199 1 13 . 1 1 7 7 VAL H H 7 8.572 8.572 8.005 0.567 17716 4200 1 13 . 1 1 8 8 LYS N N 8 121.875 121.875 118.308 3.567 17716 4201 1 13 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.361 -0.023 17716 4202 1 13 . 1 1 8 8 LYS C C 8 172.743 172.743 174.178 -1.435 17716 4203 1 13 . 1 1 8 8 LYS CA C 8 55.507 55.507 56.233 -0.726 17716 4204 1 13 . 1 1 8 8 LYS CB C 8 36.176 36.176 34.867 1.309 17716 4205 1 13 . 1 1 8 8 LYS H H 8 7.437 7.437 8.286 -0.849 17716 4206 1 13 . 1 1 9 9 THR N N 9 121.187 121.187 120.843 0.344 17716 4207 1 13 . 1 1 9 9 THR HA H 9 5.106 5.106 4.924 0.182 17716 4208 1 13 . 1 1 9 9 THR C C 9 173.660 173.660 173.044 0.616 17716 4209 1 13 . 1 1 9 9 THR CA C 9 61.928 61.928 61.545 0.383 17716 4210 1 13 . 1 1 9 9 THR CB C 9 71.703 71.703 70.114 1.589 17716 4211 1 13 . 1 1 9 9 THR H H 9 8.041 8.041 7.890 0.151 17716 4212 1 13 . 1 1 10 10 TYR N N 10 123.795 123.795 126.121 -2.326 17716 4213 1 13 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.675 0.111 17716 4214 1 13 . 1 1 10 10 TYR C C 10 174.684 174.684 174.923 -0.239 17716 4215 1 13 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.074 0.274 17716 4216 1 13 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.306 0.968 17716 4217 1 13 . 1 1 10 10 TYR H H 10 9.078 9.078 7.997 1.081 17716 4218 1 13 . 1 1 11 11 ASP N N 11 123.002 123.002 126.042 -3.040 17716 4219 1 13 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.648 0.107 17716 4220 1 13 . 1 1 11 11 ASP C C 11 176.137 176.137 175.515 0.622 17716 4221 1 13 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.105 -0.439 17716 4222 1 13 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.663 1.032 17716 4223 1 13 . 1 1 11 11 ASP H H 11 8.814 8.814 8.995 -0.181 17716 4224 1 13 . 1 1 12 12 LEU N N 12 121.896 121.896 123.804 -1.908 17716 4225 1 13 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.348 0.459 17716 4226 1 13 . 1 1 12 12 LEU C C 12 179.072 179.072 178.600 0.472 17716 4227 1 13 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.709 -1.769 17716 4228 1 13 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.701 -1.717 17716 4229 1 13 . 1 1 12 12 LEU H H 12 8.606 8.606 7.987 0.619 17716 4230 1 13 . 1 1 13 13 GLN N N 13 119.615 119.615 120.869 -1.254 17716 4231 1 13 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.225 -0.248 17716 4232 1 13 . 1 1 13 13 GLN C C 13 175.923 175.923 176.548 -0.625 17716 4233 1 13 . 1 1 13 13 GLN CA C 13 58.488 58.488 57.926 0.562 17716 4234 1 13 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.708 -0.438 17716 4235 1 13 . 1 1 13 13 GLN H H 13 8.360 8.360 8.518 -0.158 17716 4236 1 13 . 1 1 14 14 ASP N N 14 115.289 115.289 117.600 -2.311 17716 4237 1 13 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.734 -0.247 17716 4238 1 13 . 1 1 14 14 ASP C C 14 177.161 177.161 176.946 0.215 17716 4239 1 13 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.842 -0.437 17716 4240 1 13 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.146 -0.267 17716 4241 1 13 . 1 1 14 14 ASP H H 14 7.843 7.843 8.304 -0.461 17716 4242 1 13 . 1 1 15 15 GLY N N 15 107.917 107.917 107.247 0.670 17716 4243 1 13 . 1 1 15 15 GLY C C 15 174.333 174.333 174.250 0.083 17716 4244 1 13 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.524 -0.336 17716 4245 1 13 . 1 1 15 15 GLY H H 15 7.799 7.799 7.667 0.132 17716 4246 1 13 . 1 1 16 16 SER N N 16 116.054 116.054 115.054 1.000 17716 4247 1 13 . 1 1 16 16 SER HA H 16 4.405 4.405 4.359 0.046 17716 4248 1 13 . 1 1 16 16 SER C C 16 172.146 172.146 173.525 -1.379 17716 4249 1 13 . 1 1 16 16 SER CA C 16 58.450 58.450 58.272 0.179 17716 4250 1 13 . 1 1 16 16 SER CB C 16 64.517 64.517 64.587 -0.070 17716 4251 1 13 . 1 1 16 16 SER H H 16 7.927 7.927 7.753 0.174 17716 4252 1 13 . 1 1 17 17 LYS N N 17 117.434 117.434 120.372 -2.938 17716 4253 1 13 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.186 -0.003 17716 4254 1 13 . 1 1 17 17 LYS C C 17 175.724 175.724 175.892 -0.168 17716 4255 1 13 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.550 -0.501 17716 4256 1 13 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.386 1.282 17716 4257 1 13 . 1 1 17 17 LYS H H 17 9.127 9.127 7.787 1.340 17716 4258 1 13 . 1 1 18 18 VAL N N 18 117.543 117.543 123.207 -5.664 17716 4259 1 13 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.715 0.300 17716 4260 1 13 . 1 1 18 18 VAL C C 18 183.445 183.445 175.114 8.331 17716 4261 1 13 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.642 -2.963 17716 4262 1 13 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.161 1.348 17716 4263 1 13 . 1 1 18 18 VAL H H 18 8.580 8.580 8.204 0.376 17716 4264 1 13 . 1 1 19 19 HIS N N 19 128.371 128.371 122.155 6.216 17716 4265 1 13 . 1 1 19 19 HIS HA H 19 5.006 5.006 4.959 0.047 17716 4266 1 13 . 1 1 19 19 HIS C C 19 174.302 174.302 173.259 1.043 17716 4267 1 13 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.452 0.138 17716 4268 1 13 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.265 0.822 17716 4269 1 13 . 1 1 19 19 HIS H H 19 8.901 8.901 8.608 0.293 17716 4270 1 13 . 1 1 20 20 VAL N N 20 123.150 123.150 122.637 0.513 17716 4271 1 13 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.515 -0.069 17716 4272 1 13 . 1 1 20 20 VAL C C 20 176.045 176.045 173.380 2.665 17716 4273 1 13 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.412 1.096 17716 4274 1 13 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.538 -0.924 17716 4275 1 13 . 1 1 20 20 VAL H H 20 9.351 9.351 7.760 1.591 17716 4276 1 13 . 1 1 21 21 PHE N N 21 124.942 124.942 122.301 2.641 17716 4277 1 13 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.678 0.208 17716 4278 1 13 . 1 1 21 21 PHE C C 21 178.613 178.613 177.583 1.030 17716 4279 1 13 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.127 1.591 17716 4280 1 13 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.386 0.283 17716 4281 1 13 . 1 1 21 21 PHE H H 21 9.324 9.324 8.627 0.697 17716 4282 1 13 . 1 1 22 22 LYS N N 22 122.104 122.104 119.823 2.281 17716 4283 1 13 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.175 -0.236 17716 4284 1 13 . 1 1 22 22 LYS C C 22 175.969 175.969 176.814 -0.845 17716 4285 1 13 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.743 1.121 17716 4286 1 13 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.178 0.436 17716 4287 1 13 . 1 1 22 22 LYS H H 22 8.411 8.411 8.799 -0.388 17716 4288 1 13 . 1 1 23 23 ASP N N 23 114.797 114.797 118.007 -3.210 17716 4289 1 13 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.605 -0.116 17716 4290 1 13 . 1 1 23 23 ASP C C 23 176.794 176.794 176.837 -0.043 17716 4291 1 13 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.657 -0.252 17716 4292 1 13 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.428 -0.786 17716 4293 1 13 . 1 1 23 23 ASP H H 23 8.006 8.006 7.886 0.120 17716 4294 1 13 . 1 1 24 24 GLY N N 24 109.105 109.105 107.636 1.469 17716 4295 1 13 . 1 1 24 24 GLY C C 24 173.844 173.844 174.309 -0.465 17716 4296 1 13 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.369 -0.373 17716 4297 1 13 . 1 1 24 24 GLY H H 24 8.346 8.346 7.510 0.836 17716 4298 1 13 . 1 1 25 25 LYS N N 25 117.557 117.557 120.174 -2.617 17716 4299 1 13 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.295 0.059 17716 4300 1 13 . 1 1 25 25 LYS C C 25 175.862 175.862 176.577 -0.715 17716 4301 1 13 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.555 -0.377 17716 4302 1 13 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.080 0.560 17716 4303 1 13 . 1 1 25 25 LYS H H 25 7.584 7.584 7.740 -0.156 17716 4304 1 13 . 1 1 26 26 MET N N 26 116.628 116.628 120.126 -3.498 17716 4305 1 13 . 1 1 26 26 MET HA H 26 5.995 5.995 4.514 1.481 17716 4306 1 13 . 1 1 26 26 MET C C 26 175.724 175.724 176.451 -0.727 17716 4307 1 13 . 1 1 26 26 MET CA C 26 55.469 55.469 56.760 -1.290 17716 4308 1 13 . 1 1 26 26 MET CB C 26 36.562 36.562 34.725 1.837 17716 4309 1 13 . 1 1 26 26 MET H H 26 8.599 8.599 8.785 -0.186 17716 4310 1 13 . 1 1 27 27 GLY N N 27 104.570 104.570 105.811 -1.241 17716 4311 1 13 . 1 1 27 27 GLY C C 27 183.552 183.552 172.839 10.713 17716 4312 1 13 . 1 1 27 27 GLY CA C 27 44.461 44.461 45.114 -0.653 17716 4313 1 13 . 1 1 27 27 GLY H H 27 9.063 9.063 8.314 0.749 17716 4314 1 13 . 1 1 28 28 MET N N 28 119.860 119.860 125.362 -5.502 17716 4315 1 13 . 1 1 28 28 MET HA H 28 5.302 5.302 4.629 0.673 17716 4316 1 13 . 1 1 28 28 MET C C 28 173.431 173.431 174.253 -0.822 17716 4317 1 13 . 1 1 28 28 MET CA C 28 52.106 52.106 54.254 -2.148 17716 4318 1 13 . 1 1 28 28 MET CB C 28 31.508 31.508 32.611 -1.103 17716 4319 1 13 . 1 1 28 28 MET H H 28 8.751 8.751 9.087 -0.336 17716 4320 1 13 . 1 1 29 29 GLU N N 29 123.440 123.440 127.168 -3.728 17716 4321 1 13 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.830 0.177 17716 4322 1 13 . 1 1 29 29 GLU C C 29 175.479 175.479 175.907 -0.428 17716 4323 1 13 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.463 -0.364 17716 4324 1 13 . 1 1 29 29 GLU CB C 29 34.430 34.430 31.165 3.265 17716 4325 1 13 . 1 1 29 29 GLU H H 29 8.904 8.904 8.053 0.851 17716 4326 1 13 . 1 1 30 30 ASN N N 30 123.219 123.219 125.231 -2.012 17716 4327 1 13 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.715 -0.092 17716 4328 1 13 . 1 1 30 30 ASN C C 30 176.886 176.886 176.335 0.551 17716 4329 1 13 . 1 1 30 30 ASN CA C 30 51.418 51.418 53.425 -2.007 17716 4330 1 13 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.683 -0.515 17716 4331 1 13 . 1 1 30 30 ASN H H 30 9.339 9.339 8.438 0.901 17716 4332 1 13 . 1 1 31 31 LYS N N 31 116.491 116.491 118.998 -2.507 17716 4333 1 13 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.171 -0.229 17716 4334 1 13 . 1 1 31 31 LYS C C 31 175.663 175.663 176.776 -1.113 17716 4335 1 13 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.349 -0.243 17716 4336 1 13 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.942 -0.513 17716 4337 1 13 . 1 1 31 31 LYS H H 31 8.512 8.512 8.664 -0.151 17716 4338 1 13 . 1 1 32 32 PHE N N 32 117.885 117.885 119.271 -1.386 17716 4339 1 13 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.483 0.272 17716 4340 1 13 . 1 1 32 32 PHE C C 32 176.060 176.060 175.543 0.517 17716 4341 1 13 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.508 -0.931 17716 4342 1 13 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.365 0.487 17716 4343 1 13 . 1 1 32 32 PHE H H 32 7.507 7.507 7.770 -0.263 17716 4344 1 13 . 1 1 33 33 GLY N N 33 108.245 108.245 107.166 1.079 17716 4345 1 13 . 1 1 33 33 GLY C C 33 173.828 173.828 174.109 -0.281 17716 4346 1 13 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.493 0.153 17716 4347 1 13 . 1 1 33 33 GLY H H 33 8.062 8.062 7.616 0.446 17716 4348 1 13 . 1 1 34 34 LYS N N 34 117.724 117.724 118.531 -0.807 17716 4349 1 13 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.737 -0.095 17716 4350 1 13 . 1 1 34 34 LYS C C 34 175.862 175.862 174.996 0.866 17716 4351 1 13 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.109 -1.048 17716 4352 1 13 . 1 1 34 34 LYS CB C 34 34.193 34.193 36.931 -2.738 17716 4353 1 13 . 1 1 34 34 LYS H H 34 7.561 7.561 7.492 0.069 17716 4354 1 13 . 1 1 35 35 SER N N 35 117.079 117.079 117.475 -0.396 17716 4355 1 13 . 1 1 35 35 SER HA H 35 5.001 5.001 4.792 0.209 17716 4356 1 13 . 1 1 35 35 SER C C 35 174.210 174.210 174.129 0.081 17716 4357 1 13 . 1 1 35 35 SER CA C 35 57.953 57.953 58.596 -0.643 17716 4358 1 13 . 1 1 35 35 SER CB C 35 64.043 64.043 63.921 0.122 17716 4359 1 13 . 1 1 35 35 SER H H 35 8.588 8.588 8.631 -0.043 17716 4360 1 13 . 1 1 36 36 MET N N 36 117.966 117.966 125.447 -7.481 17716 4361 1 13 . 1 1 36 36 MET HA H 36 4.765 4.765 4.634 0.131 17716 4362 1 13 . 1 1 36 36 MET C C 36 173.461 173.461 174.526 -1.065 17716 4363 1 13 . 1 1 36 36 MET CA C 36 54.055 54.055 53.073 0.982 17716 4364 1 13 . 1 1 36 36 MET CB C 36 36.009 36.009 32.970 3.039 17716 4365 1 13 . 1 1 36 36 MET H H 36 8.044 8.044 8.242 -0.198 17716 4366 1 13 . 1 1 37 37 ASN N N 37 122.101 122.101 125.825 -3.724 17716 4367 1 13 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.615 0.080 17716 4368 1 13 . 1 1 37 37 ASN C C 37 175.770 175.770 174.529 1.241 17716 4369 1 13 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.602 0.414 17716 4370 1 13 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.974 2.010 17716 4371 1 13 . 1 1 37 37 ASN H H 37 8.753 8.753 8.726 0.027 17716 4372 1 13 . 1 1 38 38 MET N N 38 122.627 122.627 127.526 -4.899 17716 4373 1 13 . 1 1 38 38 MET HA H 38 4.623 4.623 4.910 -0.287 17716 4374 1 13 . 1 1 38 38 MET CA C 38 54.093 54.093 52.432 1.661 17716 4375 1 13 . 1 1 38 38 MET CB C 38 38.708 38.708 34.450 4.258 17716 4376 1 13 . 1 1 38 38 MET H H 38 8.133 8.133 8.090 0.043 17716 4377 1 13 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.203 0.077 17716 4378 1 13 . 1 1 39 39 PRO C C 39 175.831 175.831 176.365 -0.534 17716 4379 1 13 . 1 1 39 39 PRO CA C 39 62.654 62.654 63.249 -0.595 17716 4380 1 13 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.246 0.210 17716 4381 1 13 . 1 1 40 40 GLU N N 40 120.437 120.437 123.985 -3.548 17716 4382 1 13 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.216 -0.520 17716 4383 1 13 . 1 1 40 40 GLU C C 40 177.757 177.757 176.864 0.893 17716 4384 1 13 . 1 1 40 40 GLU CA C 40 57.800 57.800 56.619 1.181 17716 4385 1 13 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.605 1.403 17716 4386 1 13 . 1 1 40 40 GLU H H 40 8.322 8.322 8.735 -0.413 17716 4387 1 13 . 1 1 41 41 GLY N N 41 112.092 112.092 112.863 -0.771 17716 4388 1 13 . 1 1 41 41 GLY C C 41 173.935 173.935 174.318 -0.383 17716 4389 1 13 . 1 1 41 41 GLY CA C 41 44.805 44.805 45.001 -0.196 17716 4390 1 13 . 1 1 41 41 GLY H H 41 9.188 9.188 8.381 0.807 17716 4391 1 13 . 1 1 42 42 LYS N N 42 120.325 120.325 123.003 -2.678 17716 4392 1 13 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.235 0.013 17716 4393 1 13 . 1 1 42 42 LYS C C 42 175.755 175.755 176.287 -0.532 17716 4394 1 13 . 1 1 42 42 LYS CA C 42 55.698 55.698 56.844 -1.146 17716 4395 1 13 . 1 1 42 42 LYS CB C 42 32.851 32.851 33.323 -0.472 17716 4396 1 13 . 1 1 42 42 LYS H H 42 6.967 6.967 7.742 -0.775 17716 4397 1 13 . 1 1 43 43 VAL N N 43 124.724 124.724 126.164 -1.440 17716 4398 1 13 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.947 0.030 17716 4399 1 13 . 1 1 43 43 VAL C C 43 175.770 175.770 175.592 0.178 17716 4400 1 13 . 1 1 43 43 VAL CA C 43 63.610 63.610 62.652 0.958 17716 4401 1 13 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.770 0.212 17716 4402 1 13 . 1 1 43 43 VAL H H 43 8.572 8.572 8.311 0.261 17716 4403 1 13 . 1 1 44 44 MET N N 44 127.278 127.278 127.851 -0.573 17716 4404 1 13 . 1 1 44 44 MET HA H 44 4.545 4.545 4.762 -0.217 17716 4405 1 13 . 1 1 44 44 MET C C 44 173.522 173.522 174.885 -1.363 17716 4406 1 13 . 1 1 44 44 MET CA C 44 53.558 53.558 54.761 -1.204 17716 4407 1 13 . 1 1 44 44 MET CB C 44 34.351 34.351 34.692 -0.341 17716 4408 1 13 . 1 1 44 44 MET H H 44 8.963 8.963 8.718 0.245 17716 4409 1 13 . 1 1 45 45 GLU N N 45 122.374 122.374 124.376 -2.002 17716 4410 1 13 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.146 -0.037 17716 4411 1 13 . 1 1 45 45 GLU C C 45 176.320 176.320 176.807 -0.487 17716 4412 1 13 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.661 1.082 17716 4413 1 13 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.663 -0.681 17716 4414 1 13 . 1 1 45 45 GLU H H 45 8.668 8.668 8.794 -0.126 17716 4415 1 13 . 1 1 46 46 THR N N 46 116.696 116.696 118.333 -1.637 17716 4416 1 13 . 1 1 46 46 THR HA H 46 4.757 4.757 4.832 -0.075 17716 4417 1 13 . 1 1 46 46 THR C C 46 176.657 176.657 175.937 0.720 17716 4418 1 13 . 1 1 46 46 THR CA C 46 61.317 61.317 61.408 -0.091 17716 4419 1 13 . 1 1 46 46 THR CB C 46 70.203 70.203 70.642 -0.439 17716 4420 1 13 . 1 1 46 46 THR H H 46 9.083 9.083 8.386 0.697 17716 4421 1 13 . 1 1 47 47 ARG N N 47 119.546 119.546 119.511 0.035 17716 4422 1 13 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.294 -0.278 17716 4423 1 13 . 1 1 47 47 ARG C C 47 176.519 176.519 177.797 -1.278 17716 4424 1 13 . 1 1 47 47 ARG CA C 47 59.291 59.291 58.897 0.394 17716 4425 1 13 . 1 1 47 47 ARG CB C 47 29.692 29.692 30.086 -0.394 17716 4426 1 13 . 1 1 47 47 ARG H H 47 8.580 8.580 8.179 0.401 17716 4427 1 13 . 1 1 48 48 ASP N N 48 114.579 114.579 115.048 -0.469 17716 4428 1 13 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.624 0.085 17716 4429 1 13 . 1 1 48 48 ASP C C 48 176.519 176.519 177.054 -0.535 17716 4430 1 13 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.185 -0.742 17716 4431 1 13 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.178 0.254 17716 4432 1 13 . 1 1 48 48 ASP H H 48 7.884 7.884 8.358 -0.474 17716 4433 1 13 . 1 1 49 49 GLY N N 49 107.958 107.958 108.461 -0.503 17716 4434 1 13 . 1 1 49 49 GLY C C 49 174.547 174.547 174.488 0.059 17716 4435 1 13 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.176 0.088 17716 4436 1 13 . 1 1 49 49 GLY H H 49 7.838 7.838 7.544 0.294 17716 4437 1 13 . 1 1 50 50 THR N N 50 118.527 118.527 117.939 0.588 17716 4438 1 13 . 1 1 50 50 THR HA H 50 4.100 4.100 4.271 -0.171 17716 4439 1 13 . 1 1 50 50 THR C C 50 173.339 173.339 173.690 -0.351 17716 4440 1 13 . 1 1 50 50 THR CA C 50 63.381 63.381 62.419 0.962 17716 4441 1 13 . 1 1 50 50 THR CB C 50 68.781 68.781 69.457 -0.676 17716 4442 1 13 . 1 1 50 50 THR H H 50 7.783 7.783 8.309 -0.526 17716 4443 1 13 . 1 1 51 51 LYS N N 51 125.284 125.284 130.416 -5.132 17716 4444 1 13 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.536 0.535 17716 4445 1 13 . 1 1 51 51 LYS C C 51 176.137 176.137 176.019 0.118 17716 4446 1 13 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.308 -1.221 17716 4447 1 13 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.636 0.688 17716 4448 1 13 . 1 1 51 51 LYS H H 51 8.569 8.569 8.650 -0.081 17716 4449 1 13 . 1 1 52 52 ILE N N 52 123.781 123.781 124.689 -0.908 17716 4450 1 13 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.475 -0.303 17716 4451 1 13 . 1 1 52 52 ILE C C 52 174.730 174.730 174.627 0.103 17716 4452 1 13 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.558 0.001 17716 4453 1 13 . 1 1 52 52 ILE CB C 52 41.853 41.853 39.918 1.935 17716 4454 1 13 . 1 1 52 52 ILE H H 52 8.887 8.887 9.095 -0.208 17716 4455 1 13 . 1 1 53 53 ILE N N 53 128.421 128.421 125.372 3.049 17716 4456 1 13 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.516 -0.435 17716 4457 1 13 . 1 1 53 53 ILE C C 53 176.412 176.412 176.431 -0.019 17716 4458 1 13 . 1 1 53 53 ILE CA C 53 60.476 60.476 58.839 1.637 17716 4459 1 13 . 1 1 53 53 ILE CB C 53 37.431 37.431 38.666 -1.235 17716 4460 1 13 . 1 1 53 53 ILE H H 53 8.567 8.567 8.696 -0.129 17716 4461 1 13 . 1 1 54 54 MET N N 54 126.582 126.582 127.840 -1.258 17716 4462 1 13 . 1 1 54 54 MET HA H 54 4.282 4.282 4.356 -0.074 17716 4463 1 13 . 1 1 54 54 MET C C 54 174.547 174.547 175.619 -1.072 17716 4464 1 13 . 1 1 54 54 MET CA C 54 56.424 56.424 54.462 1.962 17716 4465 1 13 . 1 1 54 54 MET CB C 54 31.587 31.587 31.029 0.558 17716 4466 1 13 . 1 1 54 54 MET H H 54 8.886 8.886 8.292 0.594 17716 4467 1 13 . 1 1 55 55 LYS N N 55 106.838 106.838 125.718 -18.880 17716 4468 1 13 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.274 0.430 17716 4469 1 13 . 1 1 55 55 LYS C C 55 175.051 175.051 178.483 -3.432 17716 4470 1 13 . 1 1 55 55 LYS CA C 55 55.431 55.431 57.729 -2.298 17716 4471 1 13 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.330 1.863 17716 4472 1 13 . 1 1 55 55 LYS H H 55 8.559 8.559 8.054 0.505 17716 4473 1 13 . 1 1 56 56 GLY N N 56 113.486 113.486 107.987 5.499 17716 4474 1 13 . 1 1 56 56 GLY C C 56 181.029 181.029 173.928 7.101 17716 4475 1 13 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.524 -0.063 17716 4476 1 13 . 1 1 56 56 GLY H H 56 9.317 9.317 8.539 0.778 17716 4477 1 13 . 1 1 57 57 ASN N N 57 112.557 112.557 118.826 -6.269 17716 4478 1 13 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.595 0.135 17716 4479 1 13 . 1 1 57 57 ASN C C 57 177.023 177.023 176.316 0.707 17716 4480 1 13 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.136 -0.158 17716 4481 1 13 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.852 -1.579 17716 4482 1 13 . 1 1 57 57 ASN H H 57 8.732 8.732 8.178 0.554 17716 4483 1 13 . 1 1 58 58 GLU N N 58 123.440 123.440 121.121 2.319 17716 4484 1 13 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.412 -0.038 17716 4485 1 13 . 1 1 58 58 GLU C C 58 176.244 176.244 177.085 -0.841 17716 4486 1 13 . 1 1 58 58 GLU CA C 58 54.743 54.743 54.881 -0.138 17716 4487 1 13 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.592 0.205 17716 4488 1 13 . 1 1 58 58 GLU H H 58 9.124 9.124 8.403 0.721 17716 4489 1 13 . 1 1 59 59 ILE N N 59 120.912 120.912 118.347 2.565 17716 4490 1 13 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.810 -0.183 17716 4491 1 13 . 1 1 59 59 ILE C C 59 177.360 177.360 176.884 0.476 17716 4492 1 13 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.912 0.921 17716 4493 1 13 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.550 0.276 17716 4494 1 13 . 1 1 59 59 ILE H H 59 7.703 7.703 7.651 0.052 17716 4495 1 13 . 1 1 60 60 PHE N N 60 119.669 119.669 121.745 -2.076 17716 4496 1 13 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.036 0.447 17716 4497 1 13 . 1 1 60 60 PHE C C 60 178.889 178.889 176.574 2.315 17716 4498 1 13 . 1 1 60 60 PHE CA C 60 60.514 60.514 61.148 -0.634 17716 4499 1 13 . 1 1 60 60 PHE CB C 60 38.063 38.063 39.027 -0.964 17716 4500 1 13 . 1 1 60 60 PHE H H 60 7.934 7.934 7.881 0.053 17716 4501 1 13 . 1 1 61 61 ARG N N 61 119.587 119.587 119.489 0.098 17716 4502 1 13 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.964 0.073 17716 4503 1 13 . 1 1 61 61 ARG C C 61 180.051 180.051 177.885 2.166 17716 4504 1 13 . 1 1 61 61 ARG CA C 61 58.832 58.832 59.169 -0.337 17716 4505 1 13 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.604 1.993 17716 4506 1 13 . 1 1 61 61 ARG H H 61 8.133 8.133 8.253 -0.120 17716 4507 1 13 . 1 1 62 62 LEU N N 62 121.008 121.008 121.102 -0.094 17716 4508 1 13 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.886 -0.659 17716 4509 1 13 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.123 -0.887 17716 4510 1 13 . 1 1 62 62 LEU H H 62 8.517 8.517 7.938 0.579 17716 4511 1 13 . 1 1 70 70 HIS C C 70 177.253 177.253 175.383 1.870 17716 4512 1 13 . 1 1 71 71 SER N N 71 121.301 121.301 116.152 5.149 17716 4513 1 13 . 1 1 71 71 SER C C 71 173.461 173.461 173.327 0.134 17716 4514 1 13 . 1 1 71 71 SER CA C 71 58.259 58.259 59.481 -1.222 17716 4515 1 13 . 1 1 71 71 SER H H 71 8.652 8.652 8.267 0.385 17716 4516 1 13 . 1 1 72 72 GLU N N 72 122.601 122.601 121.761 0.840 17716 4517 1 13 . 1 1 72 72 GLU C C 72 176.916 176.916 175.729 1.187 17716 4518 1 13 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.032 -1.251 17716 4519 1 13 . 1 1 72 72 GLU CB C 72 30.008 30.008 30.371 -0.363 17716 4520 1 13 . 1 1 72 72 GLU H H 72 8.705 8.705 8.133 0.572 17716 4521 1 13 . 1 1 73 73 GLY N N 73 110.370 110.370 109.341 1.029 17716 4522 1 13 . 1 1 73 73 GLY C C 73 173.736 173.736 174.417 -0.681 17716 4523 1 13 . 1 1 73 73 GLY CA C 73 45.264 45.264 44.959 0.305 17716 4524 1 13 . 1 1 73 73 GLY H H 73 8.441 8.441 8.318 0.123 17716 4525 1 14 . 1 1 2 2 ASP N N 2 117.290 117.290 119.911 -2.621 17716 4526 1 14 . 1 1 2 2 ASP CA C 2 55.038 55.038 53.902 1.136 17716 4527 1 14 . 1 1 2 2 ASP H H 2 8.582 8.582 8.142 0.440 17716 4528 1 14 . 1 1 3 3 MET N N 3 117.021 117.021 120.268 -3.247 17716 4529 1 14 . 1 1 3 3 MET CA C 3 58.045 58.045 57.299 0.746 17716 4530 1 14 . 1 1 3 3 MET H H 3 8.539 8.539 7.927 0.612 17716 4531 1 14 . 1 1 4 4 SER N N 4 121.274 121.274 112.864 8.410 17716 4532 1 14 . 1 1 4 4 SER C C 4 176.458 176.458 173.714 2.744 17716 4533 1 14 . 1 1 4 4 SER CA C 4 59.826 59.826 58.099 1.727 17716 4534 1 14 . 1 1 4 4 SER H H 4 8.699 8.699 8.117 0.582 17716 4535 1 14 . 1 1 5 5 ASN N N 5 115.377 115.377 117.039 -1.662 17716 4536 1 14 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.592 -0.378 17716 4537 1 14 . 1 1 5 5 ASN H H 5 8.125 8.125 7.545 0.580 17716 4538 1 14 . 1 1 6 6 VAL N N 6 121.274 121.274 115.208 6.066 17716 4539 1 14 . 1 1 6 6 VAL C C 6 175.755 175.755 175.714 0.041 17716 4540 1 14 . 1 1 6 6 VAL CA C 6 63.534 63.534 63.137 0.397 17716 4541 1 14 . 1 1 6 6 VAL H H 6 7.572 7.572 8.232 -0.660 17716 4542 1 14 . 1 1 7 7 VAL N N 7 125.259 125.259 123.632 1.627 17716 4543 1 14 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.227 0.069 17716 4544 1 14 . 1 1 7 7 VAL C C 7 175.602 175.602 174.792 0.810 17716 4545 1 14 . 1 1 7 7 VAL CA C 7 63.725 63.725 61.650 2.075 17716 4546 1 14 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.343 0.441 17716 4547 1 14 . 1 1 7 7 VAL H H 7 8.572 8.572 8.153 0.419 17716 4548 1 14 . 1 1 8 8 LYS N N 8 121.875 121.875 128.720 -6.845 17716 4549 1 14 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.535 -0.197 17716 4550 1 14 . 1 1 8 8 LYS C C 8 172.743 172.743 174.978 -2.235 17716 4551 1 14 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.615 -0.108 17716 4552 1 14 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.864 2.312 17716 4553 1 14 . 1 1 8 8 LYS H H 8 7.437 7.437 8.487 -1.050 17716 4554 1 14 . 1 1 9 9 THR N N 9 121.187 121.187 119.557 1.630 17716 4555 1 14 . 1 1 9 9 THR HA H 9 5.106 5.106 5.077 0.029 17716 4556 1 14 . 1 1 9 9 THR C C 9 173.660 173.660 173.398 0.262 17716 4557 1 14 . 1 1 9 9 THR CA C 9 61.928 61.928 61.511 0.417 17716 4558 1 14 . 1 1 9 9 THR CB C 9 71.703 71.703 71.920 -0.217 17716 4559 1 14 . 1 1 9 9 THR H H 9 8.041 8.041 8.050 -0.009 17716 4560 1 14 . 1 1 10 10 TYR N N 10 123.795 123.795 122.544 1.251 17716 4561 1 14 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.668 0.118 17716 4562 1 14 . 1 1 10 10 TYR C C 10 174.684 174.684 174.624 0.060 17716 4563 1 14 . 1 1 10 10 TYR CA C 10 56.348 56.348 57.197 -0.849 17716 4564 1 14 . 1 1 10 10 TYR CB C 10 40.274 40.274 41.111 -0.837 17716 4565 1 14 . 1 1 10 10 TYR H H 10 9.078 9.078 8.252 0.826 17716 4566 1 14 . 1 1 11 11 ASP N N 11 123.002 123.002 125.935 -2.933 17716 4567 1 14 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.507 0.248 17716 4568 1 14 . 1 1 11 11 ASP C C 11 176.137 176.137 175.606 0.531 17716 4569 1 14 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.666 -1.000 17716 4570 1 14 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.422 1.273 17716 4571 1 14 . 1 1 11 11 ASP H H 11 8.814 8.814 8.742 0.072 17716 4572 1 14 . 1 1 12 12 LEU N N 12 121.896 121.896 123.301 -1.405 17716 4573 1 14 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.325 0.482 17716 4574 1 14 . 1 1 12 12 LEU C C 12 179.072 179.072 178.566 0.506 17716 4575 1 14 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.168 -1.228 17716 4576 1 14 . 1 1 12 12 LEU CB C 12 40.984 40.984 43.020 -2.037 17716 4577 1 14 . 1 1 12 12 LEU H H 12 8.606 8.606 8.089 0.517 17716 4578 1 14 . 1 1 13 13 GLN N N 13 119.615 119.615 121.518 -1.903 17716 4579 1 14 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.216 -0.239 17716 4580 1 14 . 1 1 13 13 GLN C C 13 175.923 175.923 176.422 -0.499 17716 4581 1 14 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.100 0.388 17716 4582 1 14 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.640 -0.370 17716 4583 1 14 . 1 1 13 13 GLN H H 13 8.360 8.360 8.575 -0.215 17716 4584 1 14 . 1 1 14 14 ASP N N 14 115.289 115.289 118.982 -3.693 17716 4585 1 14 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.690 -0.203 17716 4586 1 14 . 1 1 14 14 ASP C C 14 177.161 177.161 176.766 0.395 17716 4587 1 14 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.950 -0.545 17716 4588 1 14 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.238 -0.359 17716 4589 1 14 . 1 1 14 14 ASP H H 14 7.843 7.843 8.391 -0.548 17716 4590 1 14 . 1 1 15 15 GLY N N 15 107.917 107.917 107.411 0.506 17716 4591 1 14 . 1 1 15 15 GLY C C 15 174.333 174.333 174.054 0.279 17716 4592 1 14 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.622 -0.434 17716 4593 1 14 . 1 1 15 15 GLY H H 15 7.799 7.799 7.837 -0.038 17716 4594 1 14 . 1 1 16 16 SER N N 16 116.054 116.054 115.570 0.484 17716 4595 1 14 . 1 1 16 16 SER HA H 16 4.405 4.405 4.489 -0.084 17716 4596 1 14 . 1 1 16 16 SER C C 16 172.146 172.146 173.517 -1.371 17716 4597 1 14 . 1 1 16 16 SER CA C 16 58.450 58.450 58.092 0.358 17716 4598 1 14 . 1 1 16 16 SER CB C 16 64.517 64.517 64.784 -0.267 17716 4599 1 14 . 1 1 16 16 SER H H 16 7.927 7.927 7.720 0.207 17716 4600 1 14 . 1 1 17 17 LYS N N 17 117.434 117.434 119.170 -1.736 17716 4601 1 14 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.122 0.061 17716 4602 1 14 . 1 1 17 17 LYS C C 17 175.724 175.724 176.032 -0.308 17716 4603 1 14 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.434 -0.385 17716 4604 1 14 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.208 1.460 17716 4605 1 14 . 1 1 17 17 LYS H H 17 9.127 9.127 8.223 0.904 17716 4606 1 14 . 1 1 18 18 VAL N N 18 117.543 117.543 123.753 -6.210 17716 4607 1 14 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.746 0.269 17716 4608 1 14 . 1 1 18 18 VAL C C 18 183.445 183.445 175.828 7.617 17716 4609 1 14 . 1 1 18 18 VAL CA C 18 58.679 58.679 60.946 -2.267 17716 4610 1 14 . 1 1 18 18 VAL CB C 18 34.509 34.509 32.731 1.778 17716 4611 1 14 . 1 1 18 18 VAL H H 18 8.580 8.580 8.354 0.226 17716 4612 1 14 . 1 1 19 19 HIS N N 19 128.371 128.371 119.179 9.192 17716 4613 1 14 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.134 -0.128 17716 4614 1 14 . 1 1 19 19 HIS C C 19 174.302 174.302 173.738 0.564 17716 4615 1 14 . 1 1 19 19 HIS CA C 19 54.590 54.590 53.770 0.820 17716 4616 1 14 . 1 1 19 19 HIS CB C 19 33.087 33.087 30.475 2.612 17716 4617 1 14 . 1 1 19 19 HIS H H 19 8.901 8.901 7.875 1.026 17716 4618 1 14 . 1 1 20 20 VAL N N 20 123.150 123.150 118.492 4.658 17716 4619 1 14 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.716 -0.270 17716 4620 1 14 . 1 1 20 20 VAL C C 20 176.045 176.045 173.919 2.126 17716 4621 1 14 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.547 0.961 17716 4622 1 14 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.625 -1.011 17716 4623 1 14 . 1 1 20 20 VAL H H 20 9.351 9.351 8.050 1.301 17716 4624 1 14 . 1 1 21 21 PHE N N 21 124.942 124.942 120.799 4.143 17716 4625 1 14 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.778 0.108 17716 4626 1 14 . 1 1 21 21 PHE C C 21 178.613 178.613 177.978 0.635 17716 4627 1 14 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.488 1.230 17716 4628 1 14 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.335 0.334 17716 4629 1 14 . 1 1 21 21 PHE H H 21 9.324 9.324 8.791 0.533 17716 4630 1 14 . 1 1 22 22 LYS N N 22 122.104 122.104 120.968 1.136 17716 4631 1 14 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.192 -0.253 17716 4632 1 14 . 1 1 22 22 LYS C C 22 175.969 175.969 176.426 -0.457 17716 4633 1 14 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.719 1.145 17716 4634 1 14 . 1 1 22 22 LYS CB C 22 32.614 32.614 31.535 1.079 17716 4635 1 14 . 1 1 22 22 LYS H H 22 8.411 8.411 9.061 -0.650 17716 4636 1 14 . 1 1 23 23 ASP N N 23 114.797 114.797 117.097 -2.300 17716 4637 1 14 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.613 -0.124 17716 4638 1 14 . 1 1 23 23 ASP C C 23 176.794 176.794 176.711 0.083 17716 4639 1 14 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.254 0.151 17716 4640 1 14 . 1 1 23 23 ASP CB C 23 39.642 39.642 39.315 0.327 17716 4641 1 14 . 1 1 23 23 ASP H H 23 8.006 8.006 8.118 -0.112 17716 4642 1 14 . 1 1 24 24 GLY N N 24 109.105 109.105 109.100 0.005 17716 4643 1 14 . 1 1 24 24 GLY C C 24 173.844 173.844 174.507 -0.663 17716 4644 1 14 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.516 -0.520 17716 4645 1 14 . 1 1 24 24 GLY H H 24 8.346 8.346 7.507 0.839 17716 4646 1 14 . 1 1 25 25 LYS N N 25 117.557 117.557 120.912 -3.355 17716 4647 1 14 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.321 0.033 17716 4648 1 14 . 1 1 25 25 LYS C C 25 175.862 175.862 176.440 -0.578 17716 4649 1 14 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.541 -0.363 17716 4650 1 14 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.014 0.626 17716 4651 1 14 . 1 1 25 25 LYS H H 25 7.584 7.584 8.116 -0.532 17716 4652 1 14 . 1 1 26 26 MET N N 26 116.628 116.628 120.005 -3.377 17716 4653 1 14 . 1 1 26 26 MET HA H 26 5.995 5.995 4.442 1.553 17716 4654 1 14 . 1 1 26 26 MET C C 26 175.724 175.724 176.313 -0.589 17716 4655 1 14 . 1 1 26 26 MET CA C 26 55.469 55.469 56.337 -0.868 17716 4656 1 14 . 1 1 26 26 MET CB C 26 36.562 36.562 33.823 2.739 17716 4657 1 14 . 1 1 26 26 MET H H 26 8.599 8.599 8.597 0.002 17716 4658 1 14 . 1 1 27 27 GLY N N 27 104.570 104.570 105.321 -0.751 17716 4659 1 14 . 1 1 27 27 GLY C C 27 183.552 183.552 172.034 11.518 17716 4660 1 14 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.576 -0.115 17716 4661 1 14 . 1 1 27 27 GLY H H 27 9.063 9.063 8.074 0.989 17716 4662 1 14 . 1 1 28 28 MET N N 28 119.860 119.860 123.904 -4.044 17716 4663 1 14 . 1 1 28 28 MET HA H 28 5.302 5.302 4.693 0.609 17716 4664 1 14 . 1 1 28 28 MET C C 28 173.431 173.431 174.310 -0.879 17716 4665 1 14 . 1 1 28 28 MET CA C 28 52.106 52.106 54.792 -2.686 17716 4666 1 14 . 1 1 28 28 MET CB C 28 31.508 31.508 35.310 -3.803 17716 4667 1 14 . 1 1 28 28 MET H H 28 8.751 8.751 8.789 -0.038 17716 4668 1 14 . 1 1 29 29 GLU N N 29 123.440 123.440 128.250 -4.810 17716 4669 1 14 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.770 0.237 17716 4670 1 14 . 1 1 29 29 GLU C C 29 175.479 175.479 175.169 0.310 17716 4671 1 14 . 1 1 29 29 GLU CA C 29 54.099 54.099 55.390 -1.291 17716 4672 1 14 . 1 1 29 29 GLU CB C 29 34.430 34.430 33.261 1.169 17716 4673 1 14 . 1 1 29 29 GLU H H 29 8.904 8.904 8.875 0.029 17716 4674 1 14 . 1 1 30 30 ASN N N 30 123.219 123.219 126.167 -2.948 17716 4675 1 14 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.674 -0.051 17716 4676 1 14 . 1 1 30 30 ASN C C 30 176.886 176.886 176.388 0.498 17716 4677 1 14 . 1 1 30 30 ASN CA C 30 51.418 51.418 53.234 -1.816 17716 4678 1 14 . 1 1 30 30 ASN CB C 30 39.168 39.168 38.955 0.213 17716 4679 1 14 . 1 1 30 30 ASN H H 30 9.339 9.339 8.319 1.020 17716 4680 1 14 . 1 1 31 31 LYS N N 31 116.491 116.491 118.088 -1.597 17716 4681 1 14 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.269 -0.327 17716 4682 1 14 . 1 1 31 31 LYS C C 31 175.663 175.663 176.778 -1.115 17716 4683 1 14 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.252 -0.145 17716 4684 1 14 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.891 -0.462 17716 4685 1 14 . 1 1 31 31 LYS H H 31 8.512 8.512 8.581 -0.069 17716 4686 1 14 . 1 1 32 32 PHE N N 32 117.885 117.885 119.432 -1.547 17716 4687 1 14 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.545 0.210 17716 4688 1 14 . 1 1 32 32 PHE C C 32 176.060 176.060 176.186 -0.126 17716 4689 1 14 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.754 -1.177 17716 4690 1 14 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.810 0.042 17716 4691 1 14 . 1 1 32 32 PHE H H 32 7.507 7.507 8.037 -0.530 17716 4692 1 14 . 1 1 33 33 GLY N N 33 108.245 108.245 108.041 0.204 17716 4693 1 14 . 1 1 33 33 GLY C C 33 173.828 173.828 173.969 -0.141 17716 4694 1 14 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.348 0.298 17716 4695 1 14 . 1 1 33 33 GLY H H 33 8.062 8.062 7.739 0.323 17716 4696 1 14 . 1 1 34 34 LYS N N 34 117.724 117.724 122.200 -4.476 17716 4697 1 14 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.676 -0.034 17716 4698 1 14 . 1 1 34 34 LYS C C 34 175.862 175.862 175.998 -0.136 17716 4699 1 14 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.249 -1.188 17716 4700 1 14 . 1 1 34 34 LYS CB C 34 34.193 34.193 33.224 0.969 17716 4701 1 14 . 1 1 34 34 LYS H H 34 7.561 7.561 8.194 -0.633 17716 4702 1 14 . 1 1 35 35 SER N N 35 117.079 117.079 119.776 -2.697 17716 4703 1 14 . 1 1 35 35 SER HA H 35 5.001 5.001 4.360 0.641 17716 4704 1 14 . 1 1 35 35 SER C C 35 174.210 174.210 174.415 -0.205 17716 4705 1 14 . 1 1 35 35 SER CA C 35 57.953 57.953 59.322 -1.369 17716 4706 1 14 . 1 1 35 35 SER CB C 35 64.043 64.043 63.771 0.272 17716 4707 1 14 . 1 1 35 35 SER H H 35 8.588 8.588 8.766 -0.178 17716 4708 1 14 . 1 1 36 36 MET N N 36 117.966 117.966 123.907 -5.941 17716 4709 1 14 . 1 1 36 36 MET HA H 36 4.765 4.765 4.569 0.196 17716 4710 1 14 . 1 1 36 36 MET C C 36 173.461 173.461 175.214 -1.753 17716 4711 1 14 . 1 1 36 36 MET CA C 36 54.055 54.055 53.751 0.304 17716 4712 1 14 . 1 1 36 36 MET CB C 36 36.009 36.009 33.507 2.502 17716 4713 1 14 . 1 1 36 36 MET H H 36 8.044 8.044 7.906 0.138 17716 4714 1 14 . 1 1 37 37 ASN N N 37 122.101 122.101 124.744 -2.643 17716 4715 1 14 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.689 0.006 17716 4716 1 14 . 1 1 37 37 ASN C C 37 175.770 175.770 174.785 0.985 17716 4717 1 14 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.455 0.562 17716 4718 1 14 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.682 2.302 17716 4719 1 14 . 1 1 37 37 ASN H H 37 8.753 8.753 8.829 -0.076 17716 4720 1 14 . 1 1 38 38 MET N N 38 122.627 122.627 126.189 -3.562 17716 4721 1 14 . 1 1 38 38 MET HA H 38 4.623 4.623 4.938 -0.315 17716 4722 1 14 . 1 1 38 38 MET CA C 38 54.093 54.093 52.583 1.510 17716 4723 1 14 . 1 1 38 38 MET CB C 38 38.708 38.708 34.204 4.504 17716 4724 1 14 . 1 1 38 38 MET H H 38 8.133 8.133 8.066 0.067 17716 4725 1 14 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.578 -0.298 17716 4726 1 14 . 1 1 39 39 PRO C C 39 175.831 175.831 176.490 -0.659 17716 4727 1 14 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.007 0.647 17716 4728 1 14 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.370 0.086 17716 4729 1 14 . 1 1 40 40 GLU N N 40 120.437 120.437 124.911 -4.474 17716 4730 1 14 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.030 -0.334 17716 4731 1 14 . 1 1 40 40 GLU C C 40 177.757 177.757 177.692 0.065 17716 4732 1 14 . 1 1 40 40 GLU CA C 40 57.800 57.800 58.253 -0.453 17716 4733 1 14 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.397 0.611 17716 4734 1 14 . 1 1 40 40 GLU H H 40 8.322 8.322 8.427 -0.105 17716 4735 1 14 . 1 1 41 41 GLY N N 41 112.092 112.092 114.780 -2.688 17716 4736 1 14 . 1 1 41 41 GLY C C 41 173.935 173.935 174.887 -0.952 17716 4737 1 14 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.813 -0.008 17716 4738 1 14 . 1 1 41 41 GLY H H 41 9.188 9.188 8.681 0.507 17716 4739 1 14 . 1 1 42 42 LYS N N 42 120.325 120.325 123.768 -3.443 17716 4740 1 14 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.283 -0.035 17716 4741 1 14 . 1 1 42 42 LYS C C 42 175.755 175.755 176.320 -0.565 17716 4742 1 14 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.661 0.037 17716 4743 1 14 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.248 1.603 17716 4744 1 14 . 1 1 42 42 LYS H H 42 6.967 6.967 7.745 -0.778 17716 4745 1 14 . 1 1 43 43 VAL N N 43 124.724 124.724 123.231 1.493 17716 4746 1 14 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.682 0.295 17716 4747 1 14 . 1 1 43 43 VAL C C 43 175.770 175.770 175.549 0.221 17716 4748 1 14 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.598 -0.988 17716 4749 1 14 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.554 0.428 17716 4750 1 14 . 1 1 43 43 VAL H H 43 8.572 8.572 8.374 0.198 17716 4751 1 14 . 1 1 44 44 MET N N 44 127.278 127.278 127.497 -0.219 17716 4752 1 14 . 1 1 44 44 MET HA H 44 4.545 4.545 4.767 -0.222 17716 4753 1 14 . 1 1 44 44 MET C C 44 173.522 173.522 175.008 -1.486 17716 4754 1 14 . 1 1 44 44 MET CA C 44 53.558 53.558 54.584 -1.026 17716 4755 1 14 . 1 1 44 44 MET CB C 44 34.351 34.351 35.189 -0.838 17716 4756 1 14 . 1 1 44 44 MET H H 44 8.963 8.963 8.470 0.494 17716 4757 1 14 . 1 1 45 45 GLU N N 45 122.374 122.374 123.389 -1.015 17716 4758 1 14 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.235 -0.126 17716 4759 1 14 . 1 1 45 45 GLU C C 45 176.320 176.320 176.529 -0.209 17716 4760 1 14 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.538 1.205 17716 4761 1 14 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.884 -0.902 17716 4762 1 14 . 1 1 45 45 GLU H H 45 8.668 8.668 8.728 -0.060 17716 4763 1 14 . 1 1 46 46 THR N N 46 116.696 116.696 117.960 -1.264 17716 4764 1 14 . 1 1 46 46 THR HA H 46 4.757 4.757 4.941 -0.184 17716 4765 1 14 . 1 1 46 46 THR C C 46 176.657 176.657 176.789 -0.132 17716 4766 1 14 . 1 1 46 46 THR CA C 46 61.317 61.317 61.204 0.113 17716 4767 1 14 . 1 1 46 46 THR CB C 46 70.203 70.203 70.798 -0.595 17716 4768 1 14 . 1 1 46 46 THR H H 46 9.083 9.083 8.337 0.746 17716 4769 1 14 . 1 1 47 47 ARG N N 47 119.546 119.546 122.526 -2.980 17716 4770 1 14 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.039 -0.023 17716 4771 1 14 . 1 1 47 47 ARG C C 47 176.519 176.519 177.776 -1.257 17716 4772 1 14 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.453 -0.161 17716 4773 1 14 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.953 -0.261 17716 4774 1 14 . 1 1 47 47 ARG H H 47 8.580 8.580 8.504 0.076 17716 4775 1 14 . 1 1 48 48 ASP N N 48 114.579 114.579 115.158 -0.579 17716 4776 1 14 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.605 0.104 17716 4777 1 14 . 1 1 48 48 ASP C C 48 176.519 176.519 177.067 -0.548 17716 4778 1 14 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.270 -0.827 17716 4779 1 14 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.374 0.058 17716 4780 1 14 . 1 1 48 48 ASP H H 48 7.884 7.884 8.379 -0.495 17716 4781 1 14 . 1 1 49 49 GLY N N 49 107.958 107.958 108.583 -0.625 17716 4782 1 14 . 1 1 49 49 GLY C C 49 174.547 174.547 174.355 0.192 17716 4783 1 14 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.252 0.012 17716 4784 1 14 . 1 1 49 49 GLY H H 49 7.838 7.838 8.099 -0.261 17716 4785 1 14 . 1 1 50 50 THR N N 50 118.527 118.527 117.561 0.966 17716 4786 1 14 . 1 1 50 50 THR HA H 50 4.100 4.100 4.203 -0.103 17716 4787 1 14 . 1 1 50 50 THR C C 50 173.339 173.339 173.918 -0.579 17716 4788 1 14 . 1 1 50 50 THR CA C 50 63.381 63.381 62.278 1.103 17716 4789 1 14 . 1 1 50 50 THR CB C 50 68.781 68.781 69.409 -0.628 17716 4790 1 14 . 1 1 50 50 THR H H 50 7.783 7.783 8.087 -0.304 17716 4791 1 14 . 1 1 51 51 LYS N N 51 125.284 125.284 130.746 -5.462 17716 4792 1 14 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.504 0.567 17716 4793 1 14 . 1 1 51 51 LYS C C 51 176.137 176.137 175.944 0.193 17716 4794 1 14 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.492 -1.405 17716 4795 1 14 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.599 0.725 17716 4796 1 14 . 1 1 51 51 LYS H H 51 8.569 8.569 8.692 -0.123 17716 4797 1 14 . 1 1 52 52 ILE N N 52 123.781 123.781 124.661 -0.880 17716 4798 1 14 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.443 -0.271 17716 4799 1 14 . 1 1 52 52 ILE C C 52 174.730 174.730 174.635 0.095 17716 4800 1 14 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.490 0.069 17716 4801 1 14 . 1 1 52 52 ILE CB C 52 41.853 41.853 39.745 2.108 17716 4802 1 14 . 1 1 52 52 ILE H H 52 8.887 8.887 9.011 -0.124 17716 4803 1 14 . 1 1 53 53 ILE N N 53 128.421 128.421 125.055 3.366 17716 4804 1 14 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.288 -0.207 17716 4805 1 14 . 1 1 53 53 ILE C C 53 176.412 176.412 176.117 0.295 17716 4806 1 14 . 1 1 53 53 ILE CA C 53 60.476 60.476 59.697 0.779 17716 4807 1 14 . 1 1 53 53 ILE CB C 53 37.431 37.431 38.806 -1.375 17716 4808 1 14 . 1 1 53 53 ILE H H 53 8.567 8.567 8.624 -0.057 17716 4809 1 14 . 1 1 54 54 MET N N 54 126.582 126.582 126.726 -0.144 17716 4810 1 14 . 1 1 54 54 MET HA H 54 4.282 4.282 4.265 0.017 17716 4811 1 14 . 1 1 54 54 MET C C 54 174.547 174.547 175.612 -1.065 17716 4812 1 14 . 1 1 54 54 MET CA C 54 56.424 56.424 54.930 1.494 17716 4813 1 14 . 1 1 54 54 MET CB C 54 31.587 31.587 30.427 1.160 17716 4814 1 14 . 1 1 54 54 MET H H 54 8.886 8.886 8.696 0.190 17716 4815 1 14 . 1 1 55 55 LYS N N 55 106.838 106.838 127.506 -20.668 17716 4816 1 14 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.210 0.494 17716 4817 1 14 . 1 1 55 55 LYS C C 55 175.051 175.051 177.641 -2.590 17716 4818 1 14 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.014 -2.583 17716 4819 1 14 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.322 1.871 17716 4820 1 14 . 1 1 55 55 LYS H H 55 8.559 8.559 8.233 0.326 17716 4821 1 14 . 1 1 56 56 GLY N N 56 113.486 113.486 107.075 6.411 17716 4822 1 14 . 1 1 56 56 GLY C C 56 181.029 181.029 174.334 6.695 17716 4823 1 14 . 1 1 56 56 GLY CA C 56 44.461 44.461 45.326 -0.865 17716 4824 1 14 . 1 1 56 56 GLY H H 56 9.317 9.317 8.571 0.746 17716 4825 1 14 . 1 1 57 57 ASN N N 57 112.557 112.557 119.072 -6.515 17716 4826 1 14 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.534 0.196 17716 4827 1 14 . 1 1 57 57 ASN C C 57 177.023 177.023 175.686 1.337 17716 4828 1 14 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.840 0.138 17716 4829 1 14 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.900 -1.627 17716 4830 1 14 . 1 1 57 57 ASN H H 57 8.732 8.732 8.517 0.215 17716 4831 1 14 . 1 1 58 58 GLU N N 58 123.440 123.440 120.321 3.119 17716 4832 1 14 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.429 -0.055 17716 4833 1 14 . 1 1 58 58 GLU C C 58 176.244 176.244 176.841 -0.597 17716 4834 1 14 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.796 -1.053 17716 4835 1 14 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.334 0.463 17716 4836 1 14 . 1 1 58 58 GLU H H 58 9.124 9.124 8.487 0.637 17716 4837 1 14 . 1 1 59 59 ILE N N 59 120.912 120.912 119.142 1.770 17716 4838 1 14 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.936 -0.309 17716 4839 1 14 . 1 1 59 59 ILE C C 59 177.360 177.360 176.663 0.697 17716 4840 1 14 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.777 1.056 17716 4841 1 14 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.660 0.166 17716 4842 1 14 . 1 1 59 59 ILE H H 59 7.703 7.703 7.768 -0.065 17716 4843 1 14 . 1 1 60 60 PHE N N 60 119.669 119.669 121.187 -1.518 17716 4844 1 14 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.160 0.323 17716 4845 1 14 . 1 1 60 60 PHE C C 60 178.889 178.889 176.260 2.629 17716 4846 1 14 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.436 0.078 17716 4847 1 14 . 1 1 60 60 PHE CB C 60 38.063 38.063 39.181 -1.118 17716 4848 1 14 . 1 1 60 60 PHE H H 60 7.934 7.934 8.000 -0.066 17716 4849 1 14 . 1 1 61 61 ARG N N 61 119.587 119.587 118.378 1.209 17716 4850 1 14 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.811 0.226 17716 4851 1 14 . 1 1 61 61 ARG C C 61 180.051 180.051 178.120 1.931 17716 4852 1 14 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.244 0.588 17716 4853 1 14 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.414 2.183 17716 4854 1 14 . 1 1 61 61 ARG H H 61 8.133 8.133 7.759 0.374 17716 4855 1 14 . 1 1 62 62 LEU N N 62 121.008 121.008 118.545 2.463 17716 4856 1 14 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.000 0.227 17716 4857 1 14 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.137 -0.901 17716 4858 1 14 . 1 1 62 62 LEU H H 62 8.517 8.517 7.706 0.811 17716 4859 1 14 . 1 1 70 70 HIS C C 70 177.253 177.253 173.887 3.366 17716 4860 1 14 . 1 1 71 71 SER N N 71 121.301 121.301 113.290 8.011 17716 4861 1 14 . 1 1 71 71 SER C C 71 173.461 173.461 175.236 -1.775 17716 4862 1 14 . 1 1 71 71 SER CA C 71 58.259 58.259 58.869 -0.610 17716 4863 1 14 . 1 1 71 71 SER H H 71 8.652 8.652 8.030 0.622 17716 4864 1 14 . 1 1 72 72 GLU N N 72 122.601 122.601 123.321 -0.720 17716 4865 1 14 . 1 1 72 72 GLU C C 72 176.916 176.916 177.549 -0.633 17716 4866 1 14 . 1 1 72 72 GLU CA C 72 54.781 54.781 57.023 -2.242 17716 4867 1 14 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.812 0.196 17716 4868 1 14 . 1 1 72 72 GLU H H 72 8.705 8.705 8.725 -0.020 17716 4869 1 14 . 1 1 73 73 GLY N N 73 110.370 110.370 109.308 1.062 17716 4870 1 14 . 1 1 73 73 GLY C C 73 173.736 173.736 173.899 -0.163 17716 4871 1 14 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.064 0.200 17716 4872 1 14 . 1 1 73 73 GLY H H 73 8.441 8.441 8.045 0.396 17716 4873 1 15 . 1 1 2 2 ASP N N 2 117.290 117.290 123.884 -6.594 17716 4874 1 15 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.272 0.766 17716 4875 1 15 . 1 1 2 2 ASP H H 2 8.582 8.582 8.602 -0.020 17716 4876 1 15 . 1 1 3 3 MET N N 3 117.021 117.021 117.661 -0.640 17716 4877 1 15 . 1 1 3 3 MET CA C 3 58.045 58.045 56.980 1.065 17716 4878 1 15 . 1 1 3 3 MET H H 3 8.539 8.539 8.045 0.494 17716 4879 1 15 . 1 1 4 4 SER N N 4 121.274 121.274 112.461 8.813 17716 4880 1 15 . 1 1 4 4 SER C C 4 176.458 176.458 174.776 1.682 17716 4881 1 15 . 1 1 4 4 SER CA C 4 59.826 59.826 59.348 0.478 17716 4882 1 15 . 1 1 4 4 SER H H 4 8.699 8.699 8.091 0.608 17716 4883 1 15 . 1 1 5 5 ASN N N 5 115.377 115.377 120.864 -5.487 17716 4884 1 15 . 1 1 5 5 ASN CA C 5 53.214 53.214 54.125 -0.911 17716 4885 1 15 . 1 1 5 5 ASN H H 5 8.125 8.125 7.521 0.604 17716 4886 1 15 . 1 1 6 6 VAL N N 6 121.274 121.274 122.144 -0.870 17716 4887 1 15 . 1 1 6 6 VAL C C 6 175.755 175.755 176.044 -0.289 17716 4888 1 15 . 1 1 6 6 VAL CA C 6 63.534 63.534 62.690 0.844 17716 4889 1 15 . 1 1 6 6 VAL H H 6 7.572 7.572 8.315 -0.743 17716 4890 1 15 . 1 1 7 7 VAL N N 7 125.259 125.259 122.442 2.817 17716 4891 1 15 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.178 0.118 17716 4892 1 15 . 1 1 7 7 VAL C C 7 175.602 175.602 174.730 0.872 17716 4893 1 15 . 1 1 7 7 VAL CA C 7 63.725 63.725 61.056 2.669 17716 4894 1 15 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.805 -0.021 17716 4895 1 15 . 1 1 7 7 VAL H H 7 8.572 8.572 7.903 0.669 17716 4896 1 15 . 1 1 8 8 LYS N N 8 121.875 121.875 120.318 1.557 17716 4897 1 15 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.351 -0.013 17716 4898 1 15 . 1 1 8 8 LYS C C 8 172.743 172.743 175.211 -2.468 17716 4899 1 15 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.314 0.193 17716 4900 1 15 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.842 2.334 17716 4901 1 15 . 1 1 8 8 LYS H H 8 7.437 7.437 8.488 -1.051 17716 4902 1 15 . 1 1 9 9 THR N N 9 121.187 121.187 119.602 1.585 17716 4903 1 15 . 1 1 9 9 THR HA H 9 5.106 5.106 4.779 0.327 17716 4904 1 15 . 1 1 9 9 THR C C 9 173.660 173.660 173.170 0.490 17716 4905 1 15 . 1 1 9 9 THR CA C 9 61.928 61.928 61.678 0.250 17716 4906 1 15 . 1 1 9 9 THR CB C 9 71.703 71.703 70.655 1.048 17716 4907 1 15 . 1 1 9 9 THR H H 9 8.041 8.041 7.951 0.090 17716 4908 1 15 . 1 1 10 10 TYR N N 10 123.795 123.795 126.531 -2.736 17716 4909 1 15 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.658 0.128 17716 4910 1 15 . 1 1 10 10 TYR C C 10 174.684 174.684 174.956 -0.272 17716 4911 1 15 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.742 -0.394 17716 4912 1 15 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.301 0.973 17716 4913 1 15 . 1 1 10 10 TYR H H 10 9.078 9.078 8.349 0.729 17716 4914 1 15 . 1 1 11 11 ASP N N 11 123.002 123.002 126.424 -3.422 17716 4915 1 15 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.558 0.197 17716 4916 1 15 . 1 1 11 11 ASP C C 11 176.137 176.137 175.648 0.489 17716 4917 1 15 . 1 1 11 11 ASP CA C 11 54.666 54.666 54.887 -0.221 17716 4918 1 15 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.315 1.380 17716 4919 1 15 . 1 1 11 11 ASP H H 11 8.814 8.814 8.849 -0.035 17716 4920 1 15 . 1 1 12 12 LEU N N 12 121.896 121.896 122.774 -0.878 17716 4921 1 15 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.274 0.533 17716 4922 1 15 . 1 1 12 12 LEU C C 12 179.072 179.072 178.741 0.331 17716 4923 1 15 . 1 1 12 12 LEU CA C 12 53.940 53.940 56.182 -2.242 17716 4924 1 15 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.434 -1.450 17716 4925 1 15 . 1 1 12 12 LEU H H 12 8.606 8.606 7.996 0.610 17716 4926 1 15 . 1 1 13 13 GLN N N 13 119.615 119.615 120.107 -0.492 17716 4927 1 15 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.201 -0.224 17716 4928 1 15 . 1 1 13 13 GLN C C 13 175.923 175.923 176.303 -0.380 17716 4929 1 15 . 1 1 13 13 GLN CA C 13 58.488 58.488 57.757 0.731 17716 4930 1 15 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.650 -0.380 17716 4931 1 15 . 1 1 13 13 GLN H H 13 8.360 8.360 8.402 -0.042 17716 4932 1 15 . 1 1 14 14 ASP N N 14 115.289 115.289 117.529 -2.240 17716 4933 1 15 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.688 -0.201 17716 4934 1 15 . 1 1 14 14 ASP C C 14 177.161 177.161 176.748 0.413 17716 4935 1 15 . 1 1 14 14 ASP CA C 14 53.405 53.405 54.052 -0.647 17716 4936 1 15 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.556 -0.677 17716 4937 1 15 . 1 1 14 14 ASP H H 14 7.843 7.843 8.309 -0.466 17716 4938 1 15 . 1 1 15 15 GLY N N 15 107.917 107.917 106.950 0.967 17716 4939 1 15 . 1 1 15 15 GLY C C 15 174.333 174.333 174.029 0.304 17716 4940 1 15 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.479 -0.291 17716 4941 1 15 . 1 1 15 15 GLY H H 15 7.799 7.799 7.714 0.085 17716 4942 1 15 . 1 1 16 16 SER N N 16 116.054 116.054 115.537 0.517 17716 4943 1 15 . 1 1 16 16 SER HA H 16 4.405 4.405 4.265 0.140 17716 4944 1 15 . 1 1 16 16 SER C C 16 172.146 172.146 173.599 -1.453 17716 4945 1 15 . 1 1 16 16 SER CA C 16 58.450 58.450 58.616 -0.166 17716 4946 1 15 . 1 1 16 16 SER CB C 16 64.517 64.517 64.020 0.497 17716 4947 1 15 . 1 1 16 16 SER H H 16 7.927 7.927 7.630 0.297 17716 4948 1 15 . 1 1 17 17 LYS N N 17 117.434 117.434 119.313 -1.879 17716 4949 1 15 . 1 1 17 17 LYS HA H 17 5.183 5.183 4.893 0.290 17716 4950 1 15 . 1 1 17 17 LYS C C 17 175.724 175.724 175.255 0.469 17716 4951 1 15 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.722 -0.673 17716 4952 1 15 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.347 1.321 17716 4953 1 15 . 1 1 17 17 LYS H H 17 9.127 9.127 8.027 1.100 17716 4954 1 15 . 1 1 18 18 VAL N N 18 117.543 117.543 122.397 -4.854 17716 4955 1 15 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.487 0.528 17716 4956 1 15 . 1 1 18 18 VAL C C 18 183.445 183.445 175.248 8.197 17716 4957 1 15 . 1 1 18 18 VAL CA C 18 58.679 58.679 60.610 -1.931 17716 4958 1 15 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.454 1.055 17716 4959 1 15 . 1 1 18 18 VAL H H 18 8.580 8.580 8.098 0.482 17716 4960 1 15 . 1 1 19 19 HIS N N 19 128.371 128.371 121.382 6.989 17716 4961 1 15 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.005 0.001 17716 4962 1 15 . 1 1 19 19 HIS C C 19 174.302 174.302 173.651 0.651 17716 4963 1 15 . 1 1 19 19 HIS CA C 19 54.590 54.590 53.966 0.624 17716 4964 1 15 . 1 1 19 19 HIS CB C 19 33.087 33.087 30.863 2.224 17716 4965 1 15 . 1 1 19 19 HIS H H 19 8.901 8.901 7.770 1.131 17716 4966 1 15 . 1 1 20 20 VAL N N 20 123.150 123.150 119.262 3.888 17716 4967 1 15 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.596 -0.150 17716 4968 1 15 . 1 1 20 20 VAL C C 20 176.045 176.045 174.114 1.931 17716 4969 1 15 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.807 0.701 17716 4970 1 15 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.062 -0.448 17716 4971 1 15 . 1 1 20 20 VAL H H 20 9.351 9.351 8.171 1.180 17716 4972 1 15 . 1 1 21 21 PHE N N 21 124.942 124.942 123.214 1.728 17716 4973 1 15 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.870 0.016 17716 4974 1 15 . 1 1 21 21 PHE C C 21 178.613 178.613 177.454 1.159 17716 4975 1 15 . 1 1 21 21 PHE CA C 21 58.718 58.718 56.548 2.170 17716 4976 1 15 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.423 0.246 17716 4977 1 15 . 1 1 21 21 PHE H H 21 9.324 9.324 8.669 0.655 17716 4978 1 15 . 1 1 22 22 LYS N N 22 122.104 122.104 119.265 2.839 17716 4979 1 15 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.094 -0.155 17716 4980 1 15 . 1 1 22 22 LYS C C 22 175.969 175.969 176.411 -0.442 17716 4981 1 15 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.924 0.940 17716 4982 1 15 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.188 0.426 17716 4983 1 15 . 1 1 22 22 LYS H H 22 8.411 8.411 8.641 -0.230 17716 4984 1 15 . 1 1 23 23 ASP N N 23 114.797 114.797 115.587 -0.790 17716 4985 1 15 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.690 -0.201 17716 4986 1 15 . 1 1 23 23 ASP C C 23 176.794 176.794 176.947 -0.153 17716 4987 1 15 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.899 -0.494 17716 4988 1 15 . 1 1 23 23 ASP CB C 23 39.642 39.642 39.892 -0.250 17716 4989 1 15 . 1 1 23 23 ASP H H 23 8.006 8.006 8.034 -0.028 17716 4990 1 15 . 1 1 24 24 GLY N N 24 109.105 109.105 107.058 2.047 17716 4991 1 15 . 1 1 24 24 GLY C C 24 173.844 173.844 174.352 -0.508 17716 4992 1 15 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.982 -0.986 17716 4993 1 15 . 1 1 24 24 GLY H H 24 8.346 8.346 7.618 0.728 17716 4994 1 15 . 1 1 25 25 LYS N N 25 117.557 117.557 120.099 -2.542 17716 4995 1 15 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.385 -0.031 17716 4996 1 15 . 1 1 25 25 LYS C C 25 175.862 175.862 176.269 -0.407 17716 4997 1 15 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.039 0.139 17716 4998 1 15 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.353 0.287 17716 4999 1 15 . 1 1 25 25 LYS H H 25 7.584 7.584 7.919 -0.335 17716 5000 1 15 . 1 1 26 26 MET N N 26 116.628 116.628 120.000 -3.372 17716 5001 1 15 . 1 1 26 26 MET HA H 26 5.995 5.995 4.565 1.430 17716 5002 1 15 . 1 1 26 26 MET C C 26 175.724 175.724 176.400 -0.676 17716 5003 1 15 . 1 1 26 26 MET CA C 26 55.469 55.469 56.471 -1.002 17716 5004 1 15 . 1 1 26 26 MET CB C 26 36.562 36.562 34.544 2.018 17716 5005 1 15 . 1 1 26 26 MET H H 26 8.599 8.599 8.749 -0.150 17716 5006 1 15 . 1 1 27 27 GLY N N 27 104.570 104.570 106.228 -1.658 17716 5007 1 15 . 1 1 27 27 GLY C C 27 183.552 183.552 172.349 11.203 17716 5008 1 15 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.746 -0.285 17716 5009 1 15 . 1 1 27 27 GLY H H 27 9.063 9.063 8.267 0.796 17716 5010 1 15 . 1 1 28 28 MET N N 28 119.860 119.860 123.597 -3.737 17716 5011 1 15 . 1 1 28 28 MET HA H 28 5.302 5.302 4.580 0.722 17716 5012 1 15 . 1 1 28 28 MET C C 28 173.431 173.431 174.757 -1.326 17716 5013 1 15 . 1 1 28 28 MET CA C 28 52.106 52.106 54.821 -2.715 17716 5014 1 15 . 1 1 28 28 MET CB C 28 31.508 31.508 34.522 -3.014 17716 5015 1 15 . 1 1 28 28 MET H H 28 8.751 8.751 8.851 -0.100 17716 5016 1 15 . 1 1 29 29 GLU N N 29 123.440 123.440 127.989 -4.549 17716 5017 1 15 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.695 0.312 17716 5018 1 15 . 1 1 29 29 GLU C C 29 175.479 175.479 175.054 0.425 17716 5019 1 15 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.255 -0.156 17716 5020 1 15 . 1 1 29 29 GLU CB C 29 34.430 34.430 33.201 1.229 17716 5021 1 15 . 1 1 29 29 GLU H H 29 8.904 8.904 8.560 0.344 17716 5022 1 15 . 1 1 30 30 ASN N N 30 123.219 123.219 126.371 -3.152 17716 5023 1 15 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.705 -0.082 17716 5024 1 15 . 1 1 30 30 ASN C C 30 176.886 176.886 175.808 1.078 17716 5025 1 15 . 1 1 30 30 ASN CA C 30 51.418 51.418 51.661 -0.243 17716 5026 1 15 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.412 -0.244 17716 5027 1 15 . 1 1 30 30 ASN H H 30 9.339 9.339 8.635 0.704 17716 5028 1 15 . 1 1 31 31 LYS N N 31 116.491 116.491 119.915 -3.424 17716 5029 1 15 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.033 -0.091 17716 5030 1 15 . 1 1 31 31 LYS C C 31 175.663 175.663 176.563 -0.900 17716 5031 1 15 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.226 -0.120 17716 5032 1 15 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.596 -0.167 17716 5033 1 15 . 1 1 31 31 LYS H H 31 8.512 8.512 8.366 0.146 17716 5034 1 15 . 1 1 32 32 PHE N N 32 117.885 117.885 117.808 0.077 17716 5035 1 15 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.539 0.216 17716 5036 1 15 . 1 1 32 32 PHE C C 32 176.060 176.060 176.382 -0.322 17716 5037 1 15 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.549 -0.972 17716 5038 1 15 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.048 0.804 17716 5039 1 15 . 1 1 32 32 PHE H H 32 7.507 7.507 7.717 -0.210 17716 5040 1 15 . 1 1 33 33 GLY N N 33 108.245 108.245 107.948 0.297 17716 5041 1 15 . 1 1 33 33 GLY C C 33 173.828 173.828 174.165 -0.337 17716 5042 1 15 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.433 0.213 17716 5043 1 15 . 1 1 33 33 GLY H H 33 8.062 8.062 7.902 0.160 17716 5044 1 15 . 1 1 34 34 LYS N N 34 117.724 117.724 121.919 -4.195 17716 5045 1 15 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.345 0.297 17716 5046 1 15 . 1 1 34 34 LYS C C 34 175.862 175.862 176.107 -0.245 17716 5047 1 15 . 1 1 34 34 LYS CA C 34 53.061 53.061 56.066 -3.005 17716 5048 1 15 . 1 1 34 34 LYS CB C 34 34.193 34.193 33.743 0.450 17716 5049 1 15 . 1 1 34 34 LYS H H 34 7.561 7.561 8.283 -0.722 17716 5050 1 15 . 1 1 35 35 SER N N 35 117.079 117.079 123.202 -6.123 17716 5051 1 15 . 1 1 35 35 SER HA H 35 5.001 5.001 4.623 0.378 17716 5052 1 15 . 1 1 35 35 SER C C 35 174.210 174.210 174.037 0.173 17716 5053 1 15 . 1 1 35 35 SER CA C 35 57.953 57.953 59.704 -1.751 17716 5054 1 15 . 1 1 35 35 SER CB C 35 64.043 64.043 63.740 0.303 17716 5055 1 15 . 1 1 35 35 SER H H 35 8.588 8.588 8.828 -0.240 17716 5056 1 15 . 1 1 36 36 MET N N 36 117.966 117.966 125.236 -7.270 17716 5057 1 15 . 1 1 36 36 MET HA H 36 4.765 4.765 4.546 0.219 17716 5058 1 15 . 1 1 36 36 MET C C 36 173.461 173.461 175.219 -1.758 17716 5059 1 15 . 1 1 36 36 MET CA C 36 54.055 54.055 53.327 0.728 17716 5060 1 15 . 1 1 36 36 MET CB C 36 36.009 36.009 33.394 2.615 17716 5061 1 15 . 1 1 36 36 MET H H 36 8.044 8.044 7.879 0.165 17716 5062 1 15 . 1 1 37 37 ASN N N 37 122.101 122.101 124.713 -2.612 17716 5063 1 15 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.640 0.055 17716 5064 1 15 . 1 1 37 37 ASN C C 37 175.770 175.770 174.793 0.977 17716 5065 1 15 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.675 0.342 17716 5066 1 15 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.673 2.311 17716 5067 1 15 . 1 1 37 37 ASN H H 37 8.753 8.753 8.830 -0.077 17716 5068 1 15 . 1 1 38 38 MET N N 38 122.627 122.627 126.404 -3.777 17716 5069 1 15 . 1 1 38 38 MET HA H 38 4.623 4.623 4.996 -0.373 17716 5070 1 15 . 1 1 38 38 MET CA C 38 54.093 54.093 52.450 1.643 17716 5071 1 15 . 1 1 38 38 MET CB C 38 38.708 38.708 34.505 4.203 17716 5072 1 15 . 1 1 38 38 MET H H 38 8.133 8.133 8.142 -0.009 17716 5073 1 15 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.585 -0.305 17716 5074 1 15 . 1 1 39 39 PRO C C 39 175.831 175.831 176.472 -0.641 17716 5075 1 15 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.351 0.303 17716 5076 1 15 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.511 -0.055 17716 5077 1 15 . 1 1 40 40 GLU N N 40 120.437 120.437 123.070 -2.633 17716 5078 1 15 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.104 -0.408 17716 5079 1 15 . 1 1 40 40 GLU C C 40 177.757 177.757 177.220 0.537 17716 5080 1 15 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.613 0.187 17716 5081 1 15 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.842 1.166 17716 5082 1 15 . 1 1 40 40 GLU H H 40 8.322 8.322 8.547 -0.225 17716 5083 1 15 . 1 1 41 41 GLY N N 41 112.092 112.092 112.809 -0.717 17716 5084 1 15 . 1 1 41 41 GLY C C 41 173.935 173.935 174.782 -0.847 17716 5085 1 15 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.762 0.043 17716 5086 1 15 . 1 1 41 41 GLY H H 41 9.188 9.188 8.752 0.436 17716 5087 1 15 . 1 1 42 42 LYS N N 42 120.325 120.325 123.619 -3.294 17716 5088 1 15 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.295 -0.047 17716 5089 1 15 . 1 1 42 42 LYS C C 42 175.755 175.755 176.270 -0.515 17716 5090 1 15 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.672 0.026 17716 5091 1 15 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.448 1.403 17716 5092 1 15 . 1 1 42 42 LYS H H 42 6.967 6.967 7.719 -0.752 17716 5093 1 15 . 1 1 43 43 VAL N N 43 124.724 124.724 123.904 0.820 17716 5094 1 15 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.684 0.293 17716 5095 1 15 . 1 1 43 43 VAL C C 43 175.770 175.770 175.713 0.057 17716 5096 1 15 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.513 -0.903 17716 5097 1 15 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.668 0.314 17716 5098 1 15 . 1 1 43 43 VAL H H 43 8.572 8.572 8.212 0.360 17716 5099 1 15 . 1 1 44 44 MET N N 44 127.278 127.278 127.109 0.169 17716 5100 1 15 . 1 1 44 44 MET HA H 44 4.545 4.545 4.743 -0.198 17716 5101 1 15 . 1 1 44 44 MET C C 44 173.522 173.522 174.984 -1.462 17716 5102 1 15 . 1 1 44 44 MET CA C 44 53.558 53.558 54.572 -1.014 17716 5103 1 15 . 1 1 44 44 MET CB C 44 34.351 34.351 35.483 -1.132 17716 5104 1 15 . 1 1 44 44 MET H H 44 8.963 8.963 8.548 0.415 17716 5105 1 15 . 1 1 45 45 GLU N N 45 122.374 122.374 121.783 0.591 17716 5106 1 15 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.413 -0.304 17716 5107 1 15 . 1 1 45 45 GLU C C 45 176.320 176.320 176.462 -0.142 17716 5108 1 15 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.469 1.274 17716 5109 1 15 . 1 1 45 45 GLU CB C 45 31.982 31.982 33.385 -1.403 17716 5110 1 15 . 1 1 45 45 GLU H H 45 8.668 8.668 8.552 0.116 17716 5111 1 15 . 1 1 46 46 THR N N 46 116.696 116.696 118.204 -1.508 17716 5112 1 15 . 1 1 46 46 THR HA H 46 4.757 4.757 4.740 0.017 17716 5113 1 15 . 1 1 46 46 THR C C 46 176.657 176.657 176.219 0.438 17716 5114 1 15 . 1 1 46 46 THR CA C 46 61.317 61.317 61.099 0.218 17716 5115 1 15 . 1 1 46 46 THR CB C 46 70.203 70.203 70.270 -0.067 17716 5116 1 15 . 1 1 46 46 THR H H 46 9.083 9.083 8.198 0.885 17716 5117 1 15 . 1 1 47 47 ARG N N 47 119.546 119.546 119.362 0.184 17716 5118 1 15 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.309 -0.293 17716 5119 1 15 . 1 1 47 47 ARG C C 47 176.519 176.519 177.217 -0.698 17716 5120 1 15 . 1 1 47 47 ARG CA C 47 59.291 59.291 58.504 0.787 17716 5121 1 15 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.842 -0.150 17716 5122 1 15 . 1 1 47 47 ARG H H 47 8.580 8.580 8.240 0.340 17716 5123 1 15 . 1 1 48 48 ASP N N 48 114.579 114.579 117.999 -3.420 17716 5124 1 15 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.502 0.207 17716 5125 1 15 . 1 1 48 48 ASP C C 48 176.519 176.519 177.115 -0.596 17716 5126 1 15 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.306 -0.863 17716 5127 1 15 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.822 -0.390 17716 5128 1 15 . 1 1 48 48 ASP H H 48 7.884 7.884 8.067 -0.183 17716 5129 1 15 . 1 1 49 49 GLY N N 49 107.958 107.958 107.917 0.041 17716 5130 1 15 . 1 1 49 49 GLY C C 49 174.547 174.547 173.877 0.670 17716 5131 1 15 . 1 1 49 49 GLY CA C 49 45.264 45.264 44.630 0.634 17716 5132 1 15 . 1 1 49 49 GLY H H 49 7.838 7.838 7.643 0.195 17716 5133 1 15 . 1 1 50 50 THR N N 50 118.527 118.527 117.804 0.723 17716 5134 1 15 . 1 1 50 50 THR HA H 50 4.100 4.100 4.390 -0.290 17716 5135 1 15 . 1 1 50 50 THR C C 50 173.339 173.339 173.588 -0.249 17716 5136 1 15 . 1 1 50 50 THR CA C 50 63.381 63.381 61.975 1.406 17716 5137 1 15 . 1 1 50 50 THR CB C 50 68.781 68.781 70.108 -1.327 17716 5138 1 15 . 1 1 50 50 THR H H 50 7.783 7.783 8.278 -0.495 17716 5139 1 15 . 1 1 51 51 LYS N N 51 125.284 125.284 129.662 -4.378 17716 5140 1 15 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.637 0.434 17716 5141 1 15 . 1 1 51 51 LYS C C 51 176.137 176.137 175.848 0.289 17716 5142 1 15 . 1 1 51 51 LYS CA C 51 55.087 55.087 55.795 -0.708 17716 5143 1 15 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.849 0.475 17716 5144 1 15 . 1 1 51 51 LYS H H 51 8.569 8.569 8.640 -0.071 17716 5145 1 15 . 1 1 52 52 ILE N N 52 123.781 123.781 124.789 -1.008 17716 5146 1 15 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.379 -0.207 17716 5147 1 15 . 1 1 52 52 ILE C C 52 174.730 174.730 174.296 0.434 17716 5148 1 15 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.257 0.302 17716 5149 1 15 . 1 1 52 52 ILE CB C 52 41.853 41.853 39.089 2.764 17716 5150 1 15 . 1 1 52 52 ILE H H 52 8.887 8.887 8.602 0.285 17716 5151 1 15 . 1 1 53 53 ILE N N 53 128.421 128.421 125.699 2.722 17716 5152 1 15 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.279 -0.198 17716 5153 1 15 . 1 1 53 53 ILE C C 53 176.412 176.412 175.979 0.433 17716 5154 1 15 . 1 1 53 53 ILE CA C 53 60.476 60.476 59.615 0.861 17716 5155 1 15 . 1 1 53 53 ILE CB C 53 37.431 37.431 38.919 -1.488 17716 5156 1 15 . 1 1 53 53 ILE H H 53 8.567 8.567 8.645 -0.078 17716 5157 1 15 . 1 1 54 54 MET N N 54 126.582 126.582 127.010 -0.428 17716 5158 1 15 . 1 1 54 54 MET HA H 54 4.282 4.282 4.298 -0.016 17716 5159 1 15 . 1 1 54 54 MET C C 54 174.547 174.547 175.828 -1.281 17716 5160 1 15 . 1 1 54 54 MET CA C 54 56.424 56.424 54.738 1.686 17716 5161 1 15 . 1 1 54 54 MET CB C 54 31.587 31.587 30.515 1.072 17716 5162 1 15 . 1 1 54 54 MET H H 54 8.886 8.886 8.704 0.182 17716 5163 1 15 . 1 1 55 55 LYS N N 55 106.838 106.838 127.143 -20.305 17716 5164 1 15 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.203 0.501 17716 5165 1 15 . 1 1 55 55 LYS C C 55 175.051 175.051 177.343 -2.292 17716 5166 1 15 . 1 1 55 55 LYS CA C 55 55.431 55.431 57.887 -2.456 17716 5167 1 15 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.289 1.904 17716 5168 1 15 . 1 1 55 55 LYS H H 55 8.559 8.559 8.356 0.203 17716 5169 1 15 . 1 1 56 56 GLY N N 56 113.486 113.486 107.094 6.392 17716 5170 1 15 . 1 1 56 56 GLY C C 56 181.029 181.029 174.257 6.772 17716 5171 1 15 . 1 1 56 56 GLY CA C 56 44.461 44.461 45.284 -0.823 17716 5172 1 15 . 1 1 56 56 GLY H H 56 9.317 9.317 8.518 0.799 17716 5173 1 15 . 1 1 57 57 ASN N N 57 112.557 112.557 119.995 -7.438 17716 5174 1 15 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.555 0.175 17716 5175 1 15 . 1 1 57 57 ASN C C 57 177.023 177.023 175.463 1.560 17716 5176 1 15 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.821 0.157 17716 5177 1 15 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.968 -1.695 17716 5178 1 15 . 1 1 57 57 ASN H H 57 8.732 8.732 8.065 0.667 17716 5179 1 15 . 1 1 58 58 GLU N N 58 123.440 123.440 119.791 3.649 17716 5180 1 15 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.446 -0.072 17716 5181 1 15 . 1 1 58 58 GLU C C 58 176.244 176.244 177.090 -0.846 17716 5182 1 15 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.614 -0.871 17716 5183 1 15 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.453 0.344 17716 5184 1 15 . 1 1 58 58 GLU H H 58 9.124 9.124 8.386 0.738 17716 5185 1 15 . 1 1 59 59 ILE N N 59 120.912 120.912 120.928 -0.016 17716 5186 1 15 . 1 1 59 59 ILE HA H 59 3.627 3.627 4.056 -0.429 17716 5187 1 15 . 1 1 59 59 ILE C C 59 177.360 177.360 176.997 0.363 17716 5188 1 15 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.918 0.915 17716 5189 1 15 . 1 1 59 59 ILE CB C 59 37.826 37.826 38.129 -0.303 17716 5190 1 15 . 1 1 59 59 ILE H H 59 7.703 7.703 7.712 -0.009 17716 5191 1 15 . 1 1 60 60 PHE N N 60 119.669 119.669 122.107 -2.438 17716 5192 1 15 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.111 0.372 17716 5193 1 15 . 1 1 60 60 PHE C C 60 178.889 178.889 176.915 1.974 17716 5194 1 15 . 1 1 60 60 PHE CA C 60 60.514 60.514 61.309 -0.795 17716 5195 1 15 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.922 -0.859 17716 5196 1 15 . 1 1 60 60 PHE H H 60 7.934 7.934 8.165 -0.231 17716 5197 1 15 . 1 1 61 61 ARG N N 61 119.587 119.587 119.584 0.003 17716 5198 1 15 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.881 0.156 17716 5199 1 15 . 1 1 61 61 ARG C C 61 180.051 180.051 177.838 2.213 17716 5200 1 15 . 1 1 61 61 ARG CA C 61 58.832 58.832 57.639 1.193 17716 5201 1 15 . 1 1 61 61 ARG CB C 61 31.597 31.597 28.677 2.920 17716 5202 1 15 . 1 1 61 61 ARG H H 61 8.133 8.133 7.504 0.629 17716 5203 1 15 . 1 1 62 62 LEU N N 62 121.008 121.008 118.114 2.894 17716 5204 1 15 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.412 -0.185 17716 5205 1 15 . 1 1 62 62 LEU CB C 62 41.236 41.236 41.572 -0.336 17716 5206 1 15 . 1 1 62 62 LEU H H 62 8.517 8.517 8.270 0.247 17716 5207 1 15 . 1 1 70 70 HIS C C 70 177.253 177.253 174.073 3.180 17716 5208 1 15 . 1 1 71 71 SER N N 71 121.301 121.301 119.944 1.357 17716 5209 1 15 . 1 1 71 71 SER C C 71 173.461 173.461 173.948 -0.487 17716 5210 1 15 . 1 1 71 71 SER CA C 71 58.259 58.259 59.649 -1.390 17716 5211 1 15 . 1 1 71 71 SER H H 71 8.652 8.652 8.516 0.136 17716 5212 1 15 . 1 1 72 72 GLU N N 72 122.601 122.601 123.141 -0.540 17716 5213 1 15 . 1 1 72 72 GLU C C 72 176.916 176.916 175.642 1.274 17716 5214 1 15 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.913 -2.132 17716 5215 1 15 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.813 0.195 17716 5216 1 15 . 1 1 72 72 GLU H H 72 8.705 8.705 8.535 0.170 17716 5217 1 15 . 1 1 73 73 GLY N N 73 110.370 110.370 108.591 1.779 17716 5218 1 15 . 1 1 73 73 GLY C C 73 173.736 173.736 174.709 -0.973 17716 5219 1 15 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.189 0.075 17716 5220 1 15 . 1 1 73 73 GLY H H 73 8.441 8.441 8.267 0.174 17716 5221 1 16 . 1 1 2 2 ASP N N 2 117.290 117.290 122.904 -5.614 17716 5222 1 16 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.348 0.690 17716 5223 1 16 . 1 1 2 2 ASP H H 2 8.582 8.582 8.169 0.413 17716 5224 1 16 . 1 1 3 3 MET N N 3 117.021 117.021 116.467 0.554 17716 5225 1 16 . 1 1 3 3 MET CA C 3 58.045 58.045 57.055 0.990 17716 5226 1 16 . 1 1 3 3 MET H H 3 8.539 8.539 8.150 0.389 17716 5227 1 16 . 1 1 4 4 SER N N 4 121.274 121.274 116.492 4.782 17716 5228 1 16 . 1 1 4 4 SER C C 4 176.458 176.458 174.526 1.932 17716 5229 1 16 . 1 1 4 4 SER CA C 4 59.826 59.826 60.211 -0.385 17716 5230 1 16 . 1 1 4 4 SER H H 4 8.699 8.699 8.443 0.256 17716 5231 1 16 . 1 1 5 5 ASN N N 5 115.377 115.377 115.874 -0.497 17716 5232 1 16 . 1 1 5 5 ASN CA C 5 53.214 53.214 52.380 0.834 17716 5233 1 16 . 1 1 5 5 ASN H H 5 8.125 8.125 7.708 0.417 17716 5234 1 16 . 1 1 6 6 VAL N N 6 121.274 121.274 120.092 1.182 17716 5235 1 16 . 1 1 6 6 VAL C C 6 175.755 175.755 176.688 -0.933 17716 5236 1 16 . 1 1 6 6 VAL CA C 6 63.534 63.534 62.957 0.577 17716 5237 1 16 . 1 1 6 6 VAL H H 6 7.572 7.572 8.296 -0.724 17716 5238 1 16 . 1 1 7 7 VAL N N 7 125.259 125.259 125.579 -0.320 17716 5239 1 16 . 1 1 7 7 VAL HA H 7 4.296 4.296 3.614 0.682 17716 5240 1 16 . 1 1 7 7 VAL C C 7 175.602 175.602 175.360 0.242 17716 5241 1 16 . 1 1 7 7 VAL CA C 7 63.725 63.725 65.404 -1.679 17716 5242 1 16 . 1 1 7 7 VAL CB C 7 32.784 32.784 31.054 1.730 17716 5243 1 16 . 1 1 7 7 VAL H H 7 8.572 8.572 9.571 -0.999 17716 5244 1 16 . 1 1 8 8 LYS N N 8 121.875 121.875 118.748 3.127 17716 5245 1 16 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.301 0.037 17716 5246 1 16 . 1 1 8 8 LYS C C 8 172.743 172.743 173.801 -1.058 17716 5247 1 16 . 1 1 8 8 LYS CA C 8 55.507 55.507 56.009 -0.502 17716 5248 1 16 . 1 1 8 8 LYS CB C 8 36.176 36.176 34.561 1.615 17716 5249 1 16 . 1 1 8 8 LYS H H 8 7.437 7.437 8.117 -0.680 17716 5250 1 16 . 1 1 9 9 THR N N 9 121.187 121.187 115.342 5.845 17716 5251 1 16 . 1 1 9 9 THR HA H 9 5.106 5.106 5.268 -0.162 17716 5252 1 16 . 1 1 9 9 THR C C 9 173.660 173.660 173.009 0.651 17716 5253 1 16 . 1 1 9 9 THR CA C 9 61.928 61.928 60.957 0.971 17716 5254 1 16 . 1 1 9 9 THR CB C 9 71.703 71.703 71.447 0.256 17716 5255 1 16 . 1 1 9 9 THR H H 9 8.041 8.041 7.762 0.279 17716 5256 1 16 . 1 1 10 10 TYR N N 10 123.795 123.795 121.033 2.762 17716 5257 1 16 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.641 0.145 17716 5258 1 16 . 1 1 10 10 TYR C C 10 174.684 174.684 174.708 -0.024 17716 5259 1 16 . 1 1 10 10 TYR CA C 10 56.348 56.348 57.066 -0.718 17716 5260 1 16 . 1 1 10 10 TYR CB C 10 40.274 40.274 40.612 -0.338 17716 5261 1 16 . 1 1 10 10 TYR H H 10 9.078 9.078 8.125 0.953 17716 5262 1 16 . 1 1 11 11 ASP N N 11 123.002 123.002 126.878 -3.876 17716 5263 1 16 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.621 0.134 17716 5264 1 16 . 1 1 11 11 ASP C C 11 176.137 176.137 175.457 0.680 17716 5265 1 16 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.374 -0.708 17716 5266 1 16 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.759 0.936 17716 5267 1 16 . 1 1 11 11 ASP H H 11 8.814 8.814 8.797 0.017 17716 5268 1 16 . 1 1 12 12 LEU N N 12 121.896 121.896 124.219 -2.323 17716 5269 1 16 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.461 0.346 17716 5270 1 16 . 1 1 12 12 LEU C C 12 179.072 179.072 178.824 0.248 17716 5271 1 16 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.474 -1.534 17716 5272 1 16 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.701 -1.717 17716 5273 1 16 . 1 1 12 12 LEU H H 12 8.606 8.606 7.927 0.679 17716 5274 1 16 . 1 1 13 13 GLN N N 13 119.615 119.615 119.803 -0.188 17716 5275 1 16 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.199 -0.222 17716 5276 1 16 . 1 1 13 13 GLN C C 13 175.923 175.923 176.545 -0.622 17716 5277 1 16 . 1 1 13 13 GLN CA C 13 58.488 58.488 57.920 0.568 17716 5278 1 16 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.751 -0.481 17716 5279 1 16 . 1 1 13 13 GLN H H 13 8.360 8.360 8.489 -0.129 17716 5280 1 16 . 1 1 14 14 ASP N N 14 115.289 115.289 117.253 -1.964 17716 5281 1 16 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.649 -0.162 17716 5282 1 16 . 1 1 14 14 ASP C C 14 177.161 177.161 176.652 0.509 17716 5283 1 16 . 1 1 14 14 ASP CA C 14 53.405 53.405 54.475 -1.070 17716 5284 1 16 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.378 -0.499 17716 5285 1 16 . 1 1 14 14 ASP H H 14 7.843 7.843 8.271 -0.428 17716 5286 1 16 . 1 1 15 15 GLY N N 15 107.917 107.917 106.390 1.527 17716 5287 1 16 . 1 1 15 15 GLY C C 15 174.333 174.333 174.870 -0.537 17716 5288 1 16 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.768 -0.580 17716 5289 1 16 . 1 1 15 15 GLY H H 15 7.799 7.799 7.677 0.122 17716 5290 1 16 . 1 1 16 16 SER N N 16 116.054 116.054 117.530 -1.476 17716 5291 1 16 . 1 1 16 16 SER HA H 16 4.405 4.405 4.882 -0.477 17716 5292 1 16 . 1 1 16 16 SER C C 16 172.146 172.146 173.116 -0.970 17716 5293 1 16 . 1 1 16 16 SER CA C 16 58.450 58.450 58.659 -0.209 17716 5294 1 16 . 1 1 16 16 SER CB C 16 64.517 64.517 64.322 0.195 17716 5295 1 16 . 1 1 16 16 SER H H 16 7.927 7.927 7.907 0.020 17716 5296 1 16 . 1 1 17 17 LYS N N 17 117.434 117.434 117.583 -0.149 17716 5297 1 16 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.018 0.165 17716 5298 1 16 . 1 1 17 17 LYS C C 17 175.724 175.724 175.112 0.612 17716 5299 1 16 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.542 -0.493 17716 5300 1 16 . 1 1 17 17 LYS CB C 17 37.668 37.668 35.861 1.807 17716 5301 1 16 . 1 1 17 17 LYS H H 17 9.127 9.127 7.866 1.261 17716 5302 1 16 . 1 1 18 18 VAL N N 18 117.543 117.543 122.079 -4.536 17716 5303 1 16 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.829 0.186 17716 5304 1 16 . 1 1 18 18 VAL C C 18 183.445 183.445 175.128 8.317 17716 5305 1 16 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.669 -2.990 17716 5306 1 16 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.351 1.158 17716 5307 1 16 . 1 1 18 18 VAL H H 18 8.580 8.580 8.392 0.188 17716 5308 1 16 . 1 1 19 19 HIS N N 19 128.371 128.371 124.145 4.226 17716 5309 1 16 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.182 -0.176 17716 5310 1 16 . 1 1 19 19 HIS C C 19 174.302 174.302 173.598 0.704 17716 5311 1 16 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.566 0.025 17716 5312 1 16 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.281 0.806 17716 5313 1 16 . 1 1 19 19 HIS H H 19 8.901 8.901 8.980 -0.079 17716 5314 1 16 . 1 1 20 20 VAL N N 20 123.150 123.150 122.264 0.886 17716 5315 1 16 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.698 -0.252 17716 5316 1 16 . 1 1 20 20 VAL C C 20 176.045 176.045 173.481 2.564 17716 5317 1 16 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.561 0.947 17716 5318 1 16 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.560 -0.946 17716 5319 1 16 . 1 1 20 20 VAL H H 20 9.351 9.351 7.486 1.865 17716 5320 1 16 . 1 1 21 21 PHE N N 21 124.942 124.942 122.931 2.011 17716 5321 1 16 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.679 0.207 17716 5322 1 16 . 1 1 21 21 PHE C C 21 178.613 178.613 178.007 0.606 17716 5323 1 16 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.086 1.632 17716 5324 1 16 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.937 0.732 17716 5325 1 16 . 1 1 21 21 PHE H H 21 9.324 9.324 8.727 0.597 17716 5326 1 16 . 1 1 22 22 LYS N N 22 122.104 122.104 121.230 0.874 17716 5327 1 16 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.134 -0.195 17716 5328 1 16 . 1 1 22 22 LYS C C 22 175.969 175.969 176.967 -0.998 17716 5329 1 16 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.767 1.097 17716 5330 1 16 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.112 0.502 17716 5331 1 16 . 1 1 22 22 LYS H H 22 8.411 8.411 8.761 -0.350 17716 5332 1 16 . 1 1 23 23 ASP N N 23 114.797 114.797 116.321 -1.524 17716 5333 1 16 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.572 -0.083 17716 5334 1 16 . 1 1 23 23 ASP C C 23 176.794 176.794 176.704 0.090 17716 5335 1 16 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.947 -0.542 17716 5336 1 16 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.748 -1.105 17716 5337 1 16 . 1 1 23 23 ASP H H 23 8.006 8.006 8.027 -0.021 17716 5338 1 16 . 1 1 24 24 GLY N N 24 109.105 109.105 107.854 1.251 17716 5339 1 16 . 1 1 24 24 GLY C C 24 173.844 173.844 174.035 -0.191 17716 5340 1 16 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.255 -0.259 17716 5341 1 16 . 1 1 24 24 GLY H H 24 8.346 8.346 7.638 0.708 17716 5342 1 16 . 1 1 25 25 LYS N N 25 117.557 117.557 119.187 -1.630 17716 5343 1 16 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.258 0.096 17716 5344 1 16 . 1 1 25 25 LYS C C 25 175.862 175.862 176.166 -0.304 17716 5345 1 16 . 1 1 25 25 LYS CA C 25 56.178 56.178 55.861 0.317 17716 5346 1 16 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.176 0.464 17716 5347 1 16 . 1 1 25 25 LYS H H 25 7.584 7.584 7.447 0.137 17716 5348 1 16 . 1 1 26 26 MET N N 26 116.628 116.628 120.956 -4.328 17716 5349 1 16 . 1 1 26 26 MET HA H 26 5.995 5.995 4.554 1.441 17716 5350 1 16 . 1 1 26 26 MET C C 26 175.724 175.724 176.322 -0.598 17716 5351 1 16 . 1 1 26 26 MET CA C 26 55.469 55.469 56.625 -1.156 17716 5352 1 16 . 1 1 26 26 MET CB C 26 36.562 36.562 34.824 1.738 17716 5353 1 16 . 1 1 26 26 MET H H 26 8.599 8.599 8.678 -0.079 17716 5354 1 16 . 1 1 27 27 GLY N N 27 104.570 104.570 105.313 -0.743 17716 5355 1 16 . 1 1 27 27 GLY C C 27 183.552 183.552 172.773 10.779 17716 5356 1 16 . 1 1 27 27 GLY CA C 27 44.461 44.461 45.091 -0.630 17716 5357 1 16 . 1 1 27 27 GLY H H 27 9.063 9.063 8.249 0.814 17716 5358 1 16 . 1 1 28 28 MET N N 28 119.860 119.860 124.934 -5.074 17716 5359 1 16 . 1 1 28 28 MET HA H 28 5.302 5.302 4.661 0.641 17716 5360 1 16 . 1 1 28 28 MET C C 28 173.431 173.431 174.223 -0.792 17716 5361 1 16 . 1 1 28 28 MET CA C 28 52.106 52.106 53.912 -1.806 17716 5362 1 16 . 1 1 28 28 MET CB C 28 31.508 31.508 32.744 -1.236 17716 5363 1 16 . 1 1 28 28 MET H H 28 8.751 8.751 9.019 -0.268 17716 5364 1 16 . 1 1 29 29 GLU N N 29 123.440 123.440 125.339 -1.899 17716 5365 1 16 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.582 0.425 17716 5366 1 16 . 1 1 29 29 GLU C C 29 175.479 175.479 175.389 0.090 17716 5367 1 16 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.376 -0.277 17716 5368 1 16 . 1 1 29 29 GLU CB C 29 34.430 34.430 31.308 3.122 17716 5369 1 16 . 1 1 29 29 GLU H H 29 8.904 8.904 7.981 0.923 17716 5370 1 16 . 1 1 30 30 ASN N N 30 123.219 123.219 126.596 -3.377 17716 5371 1 16 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.686 -0.063 17716 5372 1 16 . 1 1 30 30 ASN C C 30 176.886 176.886 176.367 0.519 17716 5373 1 16 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.391 -0.973 17716 5374 1 16 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.209 -0.041 17716 5375 1 16 . 1 1 30 30 ASN H H 30 9.339 9.339 8.480 0.859 17716 5376 1 16 . 1 1 31 31 LYS N N 31 116.491 116.491 120.590 -4.099 17716 5377 1 16 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.270 -0.328 17716 5378 1 16 . 1 1 31 31 LYS C C 31 175.663 175.663 176.264 -0.601 17716 5379 1 16 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.700 0.406 17716 5380 1 16 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.041 0.388 17716 5381 1 16 . 1 1 31 31 LYS H H 31 8.512 8.512 8.732 -0.220 17716 5382 1 16 . 1 1 32 32 PHE N N 32 117.885 117.885 119.538 -1.653 17716 5383 1 16 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.425 0.330 17716 5384 1 16 . 1 1 32 32 PHE C C 32 176.060 176.060 175.962 0.098 17716 5385 1 16 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.724 -1.147 17716 5386 1 16 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.945 -0.093 17716 5387 1 16 . 1 1 32 32 PHE H H 32 7.507 7.507 7.978 -0.471 17716 5388 1 16 . 1 1 33 33 GLY N N 33 108.245 108.245 107.491 0.754 17716 5389 1 16 . 1 1 33 33 GLY C C 33 173.828 173.828 174.044 -0.216 17716 5390 1 16 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.285 0.361 17716 5391 1 16 . 1 1 33 33 GLY H H 33 8.062 8.062 7.782 0.280 17716 5392 1 16 . 1 1 34 34 LYS N N 34 117.724 117.724 121.630 -3.906 17716 5393 1 16 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.673 -0.031 17716 5394 1 16 . 1 1 34 34 LYS C C 34 175.862 175.862 175.736 0.126 17716 5395 1 16 . 1 1 34 34 LYS CA C 34 53.061 53.061 53.881 -0.820 17716 5396 1 16 . 1 1 34 34 LYS CB C 34 34.193 34.193 34.135 0.058 17716 5397 1 16 . 1 1 34 34 LYS H H 34 7.561 7.561 8.126 -0.565 17716 5398 1 16 . 1 1 35 35 SER N N 35 117.079 117.079 120.356 -3.277 17716 5399 1 16 . 1 1 35 35 SER HA H 35 5.001 5.001 4.387 0.614 17716 5400 1 16 . 1 1 35 35 SER C C 35 174.210 174.210 174.522 -0.312 17716 5401 1 16 . 1 1 35 35 SER CA C 35 57.953 57.953 59.882 -1.929 17716 5402 1 16 . 1 1 35 35 SER CB C 35 64.043 64.043 63.681 0.362 17716 5403 1 16 . 1 1 35 35 SER H H 35 8.588 8.588 8.726 -0.138 17716 5404 1 16 . 1 1 36 36 MET N N 36 117.966 117.966 124.526 -6.560 17716 5405 1 16 . 1 1 36 36 MET HA H 36 4.765 4.765 4.600 0.165 17716 5406 1 16 . 1 1 36 36 MET C C 36 173.461 173.461 175.395 -1.934 17716 5407 1 16 . 1 1 36 36 MET CA C 36 54.055 54.055 53.544 0.512 17716 5408 1 16 . 1 1 36 36 MET CB C 36 36.009 36.009 33.882 2.127 17716 5409 1 16 . 1 1 36 36 MET H H 36 8.044 8.044 8.155 -0.111 17716 5410 1 16 . 1 1 37 37 ASN N N 37 122.101 122.101 123.877 -1.776 17716 5411 1 16 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.767 -0.072 17716 5412 1 16 . 1 1 37 37 ASN C C 37 175.770 175.770 174.580 1.190 17716 5413 1 16 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.093 0.924 17716 5414 1 16 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.734 2.250 17716 5415 1 16 . 1 1 37 37 ASN H H 37 8.753 8.753 8.783 -0.030 17716 5416 1 16 . 1 1 38 38 MET N N 38 122.627 122.627 126.826 -4.199 17716 5417 1 16 . 1 1 38 38 MET HA H 38 4.623 4.623 4.859 -0.236 17716 5418 1 16 . 1 1 38 38 MET CA C 38 54.093 54.093 52.484 1.609 17716 5419 1 16 . 1 1 38 38 MET CB C 38 38.708 38.708 34.247 4.461 17716 5420 1 16 . 1 1 38 38 MET H H 38 8.133 8.133 7.998 0.135 17716 5421 1 16 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.458 -0.178 17716 5422 1 16 . 1 1 39 39 PRO C C 39 175.831 175.831 176.158 -0.327 17716 5423 1 16 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.237 0.417 17716 5424 1 16 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.700 -0.244 17716 5425 1 16 . 1 1 40 40 GLU N N 40 120.437 120.437 122.710 -2.273 17716 5426 1 16 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.210 -0.514 17716 5427 1 16 . 1 1 40 40 GLU C C 40 177.757 177.757 177.068 0.689 17716 5428 1 16 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.297 0.503 17716 5429 1 16 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.090 0.918 17716 5430 1 16 . 1 1 40 40 GLU H H 40 8.322 8.322 8.743 -0.421 17716 5431 1 16 . 1 1 41 41 GLY N N 41 112.092 112.092 114.426 -2.334 17716 5432 1 16 . 1 1 41 41 GLY C C 41 173.935 173.935 174.083 -0.148 17716 5433 1 16 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.899 -0.094 17716 5434 1 16 . 1 1 41 41 GLY H H 41 9.188 9.188 8.364 0.824 17716 5435 1 16 . 1 1 42 42 LYS N N 42 120.325 120.325 124.194 -3.869 17716 5436 1 16 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.298 -0.050 17716 5437 1 16 . 1 1 42 42 LYS C C 42 175.755 175.755 176.485 -0.730 17716 5438 1 16 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.837 -0.138 17716 5439 1 16 . 1 1 42 42 LYS CB C 42 32.851 32.851 32.153 0.699 17716 5440 1 16 . 1 1 42 42 LYS H H 42 6.967 6.967 7.784 -0.817 17716 5441 1 16 . 1 1 43 43 VAL N N 43 124.724 124.724 125.187 -0.463 17716 5442 1 16 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.726 0.251 17716 5443 1 16 . 1 1 43 43 VAL C C 43 175.770 175.770 176.100 -0.330 17716 5444 1 16 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.262 -0.652 17716 5445 1 16 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.731 0.251 17716 5446 1 16 . 1 1 43 43 VAL H H 43 8.572 8.572 8.179 0.393 17716 5447 1 16 . 1 1 44 44 MET N N 44 127.278 127.278 128.086 -0.808 17716 5448 1 16 . 1 1 44 44 MET HA H 44 4.545 4.545 4.771 -0.226 17716 5449 1 16 . 1 1 44 44 MET C C 44 173.522 173.522 174.716 -1.194 17716 5450 1 16 . 1 1 44 44 MET CA C 44 53.558 53.558 54.595 -1.037 17716 5451 1 16 . 1 1 44 44 MET CB C 44 34.351 34.351 35.355 -1.004 17716 5452 1 16 . 1 1 44 44 MET H H 44 8.963 8.963 8.897 0.066 17716 5453 1 16 . 1 1 45 45 GLU N N 45 122.374 122.374 124.651 -2.277 17716 5454 1 16 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.147 -0.038 17716 5455 1 16 . 1 1 45 45 GLU C C 45 176.320 176.320 176.150 0.170 17716 5456 1 16 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.828 0.915 17716 5457 1 16 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.776 -0.794 17716 5458 1 16 . 1 1 45 45 GLU H H 45 8.668 8.668 8.797 -0.129 17716 5459 1 16 . 1 1 46 46 THR N N 46 116.696 116.696 117.183 -0.487 17716 5460 1 16 . 1 1 46 46 THR HA H 46 4.757 4.757 5.068 -0.311 17716 5461 1 16 . 1 1 46 46 THR C C 46 176.657 176.657 176.827 -0.170 17716 5462 1 16 . 1 1 46 46 THR CA C 46 61.317 61.317 60.734 0.583 17716 5463 1 16 . 1 1 46 46 THR CB C 46 70.203 70.203 70.877 -0.674 17716 5464 1 16 . 1 1 46 46 THR H H 46 9.083 9.083 8.422 0.661 17716 5465 1 16 . 1 1 47 47 ARG N N 47 119.546 119.546 122.495 -2.949 17716 5466 1 16 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.071 -0.055 17716 5467 1 16 . 1 1 47 47 ARG C C 47 176.519 176.519 177.693 -1.174 17716 5468 1 16 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.581 -0.290 17716 5469 1 16 . 1 1 47 47 ARG CB C 47 29.692 29.692 30.040 -0.348 17716 5470 1 16 . 1 1 47 47 ARG H H 47 8.580 8.580 8.398 0.182 17716 5471 1 16 . 1 1 48 48 ASP N N 48 114.579 114.579 115.772 -1.193 17716 5472 1 16 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.536 0.173 17716 5473 1 16 . 1 1 48 48 ASP C C 48 176.519 176.519 177.221 -0.702 17716 5474 1 16 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.028 -0.585 17716 5475 1 16 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.333 0.099 17716 5476 1 16 . 1 1 48 48 ASP H H 48 7.884 7.884 8.265 -0.381 17716 5477 1 16 . 1 1 49 49 GLY N N 49 107.958 107.958 108.397 -0.439 17716 5478 1 16 . 1 1 49 49 GLY C C 49 174.547 174.547 174.630 -0.083 17716 5479 1 16 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.271 -0.007 17716 5480 1 16 . 1 1 49 49 GLY H H 49 7.838 7.838 7.868 -0.030 17716 5481 1 16 . 1 1 50 50 THR N N 50 118.527 118.527 117.776 0.751 17716 5482 1 16 . 1 1 50 50 THR HA H 50 4.100 4.100 4.341 -0.241 17716 5483 1 16 . 1 1 50 50 THR C C 50 173.339 173.339 173.601 -0.262 17716 5484 1 16 . 1 1 50 50 THR CA C 50 63.381 63.381 62.051 1.330 17716 5485 1 16 . 1 1 50 50 THR CB C 50 68.781 68.781 69.589 -0.808 17716 5486 1 16 . 1 1 50 50 THR H H 50 7.783 7.783 8.133 -0.350 17716 5487 1 16 . 1 1 51 51 LYS N N 51 125.284 125.284 130.599 -5.315 17716 5488 1 16 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.524 0.547 17716 5489 1 16 . 1 1 51 51 LYS C C 51 176.137 176.137 176.036 0.101 17716 5490 1 16 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.386 -1.299 17716 5491 1 16 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.441 0.883 17716 5492 1 16 . 1 1 51 51 LYS H H 51 8.569 8.569 8.627 -0.058 17716 5493 1 16 . 1 1 52 52 ILE N N 52 123.781 123.781 123.570 0.211 17716 5494 1 16 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.460 -0.288 17716 5495 1 16 . 1 1 52 52 ILE C C 52 174.730 174.730 174.442 0.288 17716 5496 1 16 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.337 0.222 17716 5497 1 16 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.755 1.098 17716 5498 1 16 . 1 1 52 52 ILE H H 52 8.887 8.887 9.046 -0.159 17716 5499 1 16 . 1 1 53 53 ILE N N 53 128.421 128.421 121.670 6.751 17716 5500 1 16 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.343 -0.262 17716 5501 1 16 . 1 1 53 53 ILE C C 53 176.412 176.412 175.500 0.912 17716 5502 1 16 . 1 1 53 53 ILE CA C 53 60.476 60.476 58.703 1.773 17716 5503 1 16 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.604 -2.173 17716 5504 1 16 . 1 1 53 53 ILE H H 53 8.567 8.567 8.445 0.122 17716 5505 1 16 . 1 1 54 54 MET N N 54 126.582 126.582 126.952 -0.370 17716 5506 1 16 . 1 1 54 54 MET HA H 54 4.282 4.282 4.332 -0.050 17716 5507 1 16 . 1 1 54 54 MET C C 54 174.547 174.547 175.556 -1.009 17716 5508 1 16 . 1 1 54 54 MET CA C 54 56.424 56.424 54.670 1.754 17716 5509 1 16 . 1 1 54 54 MET CB C 54 31.587 31.587 30.732 0.855 17716 5510 1 16 . 1 1 54 54 MET H H 54 8.886 8.886 8.999 -0.113 17716 5511 1 16 . 1 1 55 55 LYS N N 55 106.838 106.838 127.599 -20.761 17716 5512 1 16 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.370 0.334 17716 5513 1 16 . 1 1 55 55 LYS C C 55 175.051 175.051 177.652 -2.601 17716 5514 1 16 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.700 -3.269 17716 5515 1 16 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.769 1.425 17716 5516 1 16 . 1 1 55 55 LYS H H 55 8.559 8.559 7.989 0.570 17716 5517 1 16 . 1 1 56 56 GLY N N 56 113.486 113.486 106.735 6.751 17716 5518 1 16 . 1 1 56 56 GLY C C 56 181.029 181.029 174.055 6.974 17716 5519 1 16 . 1 1 56 56 GLY CA C 56 44.461 44.461 45.046 -0.585 17716 5520 1 16 . 1 1 56 56 GLY H H 56 9.317 9.317 8.490 0.827 17716 5521 1 16 . 1 1 57 57 ASN N N 57 112.557 112.557 119.847 -7.290 17716 5522 1 16 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.552 0.178 17716 5523 1 16 . 1 1 57 57 ASN C C 57 177.023 177.023 175.558 1.465 17716 5524 1 16 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.609 0.369 17716 5525 1 16 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.975 -1.702 17716 5526 1 16 . 1 1 57 57 ASN H H 57 8.732 8.732 8.053 0.679 17716 5527 1 16 . 1 1 58 58 GLU N N 58 123.440 123.440 120.200 3.240 17716 5528 1 16 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.225 0.149 17716 5529 1 16 . 1 1 58 58 GLU C C 58 176.244 176.244 176.834 -0.590 17716 5530 1 16 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.287 -0.544 17716 5531 1 16 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.529 0.268 17716 5532 1 16 . 1 1 58 58 GLU H H 58 9.124 9.124 8.153 0.971 17716 5533 1 16 . 1 1 59 59 ILE N N 59 120.912 120.912 119.991 0.921 17716 5534 1 16 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.881 -0.254 17716 5535 1 16 . 1 1 59 59 ILE C C 59 177.360 177.360 177.210 0.150 17716 5536 1 16 . 1 1 59 59 ILE CA C 59 64.833 64.833 64.350 0.483 17716 5537 1 16 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.996 -0.170 17716 5538 1 16 . 1 1 59 59 ILE H H 59 7.703 7.703 7.612 0.091 17716 5539 1 16 . 1 1 60 60 PHE N N 60 119.669 119.669 119.136 0.533 17716 5540 1 16 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.204 0.279 17716 5541 1 16 . 1 1 60 60 PHE C C 60 178.889 178.889 177.361 1.528 17716 5542 1 16 . 1 1 60 60 PHE CA C 60 60.514 60.514 59.920 0.594 17716 5543 1 16 . 1 1 60 60 PHE CB C 60 38.063 38.063 37.403 0.660 17716 5544 1 16 . 1 1 60 60 PHE H H 60 7.934 7.934 8.024 -0.090 17716 5545 1 16 . 1 1 61 61 ARG N N 61 119.587 119.587 120.293 -0.706 17716 5546 1 16 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.919 0.118 17716 5547 1 16 . 1 1 61 61 ARG C C 61 180.051 180.051 177.987 2.064 17716 5548 1 16 . 1 1 61 61 ARG CA C 61 58.832 58.832 57.980 0.852 17716 5549 1 16 . 1 1 61 61 ARG CB C 61 31.597 31.597 28.783 2.814 17716 5550 1 16 . 1 1 61 61 ARG H H 61 8.133 8.133 6.503 1.630 17716 5551 1 16 . 1 1 62 62 LEU N N 62 121.008 121.008 119.126 1.882 17716 5552 1 16 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.414 -0.187 17716 5553 1 16 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.464 -1.228 17716 5554 1 16 . 1 1 62 62 LEU H H 62 8.517 8.517 8.056 0.461 17716 5555 1 16 . 1 1 70 70 HIS C C 70 177.253 177.253 173.781 3.472 17716 5556 1 16 . 1 1 71 71 SER N N 71 121.301 121.301 113.998 7.303 17716 5557 1 16 . 1 1 71 71 SER C C 71 173.461 173.461 173.598 -0.137 17716 5558 1 16 . 1 1 71 71 SER CA C 71 58.259 58.259 58.275 -0.016 17716 5559 1 16 . 1 1 71 71 SER H H 71 8.652 8.652 7.788 0.864 17716 5560 1 16 . 1 1 72 72 GLU N N 72 122.601 122.601 125.242 -2.641 17716 5561 1 16 . 1 1 72 72 GLU C C 72 176.916 176.916 177.426 -0.510 17716 5562 1 16 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.022 -1.241 17716 5563 1 16 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.003 1.005 17716 5564 1 16 . 1 1 72 72 GLU H H 72 8.705 8.705 8.540 0.165 17716 5565 1 16 . 1 1 73 73 GLY N N 73 110.370 110.370 113.688 -3.318 17716 5566 1 16 . 1 1 73 73 GLY C C 73 173.736 173.736 174.028 -0.292 17716 5567 1 16 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.716 -0.452 17716 5568 1 16 . 1 1 73 73 GLY H H 73 8.441 8.441 8.228 0.213 17716 5569 1 17 . 1 1 2 2 ASP N N 2 117.290 117.290 123.952 -6.662 17716 5570 1 17 . 1 1 2 2 ASP CA C 2 55.038 55.038 53.668 1.370 17716 5571 1 17 . 1 1 2 2 ASP H H 2 8.582 8.582 8.196 0.386 17716 5572 1 17 . 1 1 3 3 MET N N 3 117.021 117.021 117.464 -0.443 17716 5573 1 17 . 1 1 3 3 MET CA C 3 58.045 58.045 57.717 0.328 17716 5574 1 17 . 1 1 3 3 MET H H 3 8.539 8.539 8.441 0.098 17716 5575 1 17 . 1 1 4 4 SER N N 4 121.274 121.274 113.818 7.456 17716 5576 1 17 . 1 1 4 4 SER C C 4 176.458 176.458 174.824 1.634 17716 5577 1 17 . 1 1 4 4 SER CA C 4 59.826 59.826 60.571 -0.745 17716 5578 1 17 . 1 1 4 4 SER H H 4 8.699 8.699 8.242 0.457 17716 5579 1 17 . 1 1 5 5 ASN N N 5 115.377 115.377 116.481 -1.104 17716 5580 1 17 . 1 1 5 5 ASN CA C 5 53.214 53.214 54.516 -1.302 17716 5581 1 17 . 1 1 5 5 ASN H H 5 8.125 8.125 7.949 0.176 17716 5582 1 17 . 1 1 6 6 VAL N N 6 121.274 121.274 121.407 -0.133 17716 5583 1 17 . 1 1 6 6 VAL C C 6 175.755 175.755 175.019 0.736 17716 5584 1 17 . 1 1 6 6 VAL CA C 6 63.534 63.534 63.715 -0.181 17716 5585 1 17 . 1 1 6 6 VAL H H 6 7.572 7.572 8.324 -0.752 17716 5586 1 17 . 1 1 7 7 VAL N N 7 125.259 125.259 124.992 0.267 17716 5587 1 17 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.274 0.022 17716 5588 1 17 . 1 1 7 7 VAL C C 7 175.602 175.602 174.550 1.052 17716 5589 1 17 . 1 1 7 7 VAL CA C 7 63.725 63.725 61.500 2.225 17716 5590 1 17 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.075 0.709 17716 5591 1 17 . 1 1 7 7 VAL H H 7 8.572 8.572 8.101 0.471 17716 5592 1 17 . 1 1 8 8 LYS N N 8 121.875 121.875 127.078 -5.203 17716 5593 1 17 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.482 -0.144 17716 5594 1 17 . 1 1 8 8 LYS C C 8 172.743 172.743 174.460 -1.717 17716 5595 1 17 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.254 0.253 17716 5596 1 17 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.985 2.191 17716 5597 1 17 . 1 1 8 8 LYS H H 8 7.437 7.437 8.421 -0.984 17716 5598 1 17 . 1 1 9 9 THR N N 9 121.187 121.187 117.094 4.093 17716 5599 1 17 . 1 1 9 9 THR HA H 9 5.106 5.106 4.440 0.666 17716 5600 1 17 . 1 1 9 9 THR C C 9 173.660 173.660 172.577 1.083 17716 5601 1 17 . 1 1 9 9 THR CA C 9 61.928 61.928 60.843 1.085 17716 5602 1 17 . 1 1 9 9 THR CB C 9 71.703 71.703 70.408 1.295 17716 5603 1 17 . 1 1 9 9 THR H H 9 8.041 8.041 8.036 0.005 17716 5604 1 17 . 1 1 10 10 TYR N N 10 123.795 123.795 122.704 1.091 17716 5605 1 17 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.718 0.068 17716 5606 1 17 . 1 1 10 10 TYR C C 10 174.684 174.684 174.215 0.469 17716 5607 1 17 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.433 -0.085 17716 5608 1 17 . 1 1 10 10 TYR CB C 10 40.274 40.274 40.696 -0.422 17716 5609 1 17 . 1 1 10 10 TYR H H 10 9.078 9.078 7.991 1.087 17716 5610 1 17 . 1 1 11 11 ASP N N 11 123.002 123.002 125.395 -2.393 17716 5611 1 17 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.544 0.211 17716 5612 1 17 . 1 1 11 11 ASP C C 11 176.137 176.137 175.771 0.366 17716 5613 1 17 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.310 -0.644 17716 5614 1 17 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.338 1.357 17716 5615 1 17 . 1 1 11 11 ASP H H 11 8.814 8.814 8.749 0.065 17716 5616 1 17 . 1 1 12 12 LEU N N 12 121.896 121.896 123.877 -1.981 17716 5617 1 17 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.519 0.288 17716 5618 1 17 . 1 1 12 12 LEU C C 12 179.072 179.072 178.619 0.453 17716 5619 1 17 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.718 -1.778 17716 5620 1 17 . 1 1 12 12 LEU CB C 12 40.984 40.984 43.170 -2.186 17716 5621 1 17 . 1 1 12 12 LEU H H 12 8.606 8.606 8.221 0.385 17716 5622 1 17 . 1 1 13 13 GLN N N 13 119.615 119.615 122.899 -3.284 17716 5623 1 17 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.146 -0.169 17716 5624 1 17 . 1 1 13 13 GLN C C 13 175.923 175.923 176.765 -0.842 17716 5625 1 17 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.323 0.165 17716 5626 1 17 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.558 -0.288 17716 5627 1 17 . 1 1 13 13 GLN H H 13 8.360 8.360 8.702 -0.342 17716 5628 1 17 . 1 1 14 14 ASP N N 14 115.289 115.289 118.030 -2.741 17716 5629 1 17 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.610 -0.123 17716 5630 1 17 . 1 1 14 14 ASP C C 14 177.161 177.161 176.823 0.338 17716 5631 1 17 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.206 0.199 17716 5632 1 17 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.371 -0.492 17716 5633 1 17 . 1 1 14 14 ASP H H 14 7.843 7.843 7.940 -0.097 17716 5634 1 17 . 1 1 15 15 GLY N N 15 107.917 107.917 107.200 0.717 17716 5635 1 17 . 1 1 15 15 GLY C C 15 174.333 174.333 174.193 0.140 17716 5636 1 17 . 1 1 15 15 GLY CA C 15 45.188 45.188 46.005 -0.817 17716 5637 1 17 . 1 1 15 15 GLY H H 15 7.799 7.799 7.859 -0.060 17716 5638 1 17 . 1 1 16 16 SER N N 16 116.054 116.054 116.639 -0.585 17716 5639 1 17 . 1 1 16 16 SER HA H 16 4.405 4.405 4.646 -0.241 17716 5640 1 17 . 1 1 16 16 SER C C 16 172.146 172.146 173.341 -1.195 17716 5641 1 17 . 1 1 16 16 SER CA C 16 58.450 58.450 58.424 0.026 17716 5642 1 17 . 1 1 16 16 SER CB C 16 64.517 64.517 64.700 -0.183 17716 5643 1 17 . 1 1 16 16 SER H H 16 7.927 7.927 7.666 0.261 17716 5644 1 17 . 1 1 17 17 LYS N N 17 117.434 117.434 117.125 0.309 17716 5645 1 17 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.001 0.182 17716 5646 1 17 . 1 1 17 17 LYS C C 17 175.724 175.724 174.672 1.052 17716 5647 1 17 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.615 -0.567 17716 5648 1 17 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.179 1.489 17716 5649 1 17 . 1 1 17 17 LYS H H 17 9.127 9.127 8.156 0.971 17716 5650 1 17 . 1 1 18 18 VAL N N 18 117.543 117.543 118.362 -0.819 17716 5651 1 17 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.979 0.036 17716 5652 1 17 . 1 1 18 18 VAL C C 18 183.445 183.445 175.581 7.864 17716 5653 1 17 . 1 1 18 18 VAL CA C 18 58.679 58.679 60.786 -2.107 17716 5654 1 17 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.324 1.185 17716 5655 1 17 . 1 1 18 18 VAL H H 18 8.580 8.580 8.149 0.431 17716 5656 1 17 . 1 1 19 19 HIS N N 19 128.371 128.371 124.238 4.133 17716 5657 1 17 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.006 0.000 17716 5658 1 17 . 1 1 19 19 HIS C C 19 174.302 174.302 173.747 0.555 17716 5659 1 17 . 1 1 19 19 HIS CA C 19 54.590 54.590 53.326 1.264 17716 5660 1 17 . 1 1 19 19 HIS CB C 19 33.087 33.087 31.034 2.053 17716 5661 1 17 . 1 1 19 19 HIS H H 19 8.901 8.901 8.705 0.196 17716 5662 1 17 . 1 1 20 20 VAL N N 20 123.150 123.150 120.490 2.660 17716 5663 1 17 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.573 -0.127 17716 5664 1 17 . 1 1 20 20 VAL C C 20 176.045 176.045 173.721 2.324 17716 5665 1 17 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.689 0.819 17716 5666 1 17 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.620 -1.006 17716 5667 1 17 . 1 1 20 20 VAL H H 20 9.351 9.351 7.957 1.394 17716 5668 1 17 . 1 1 21 21 PHE N N 21 124.942 124.942 124.396 0.546 17716 5669 1 17 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.691 0.195 17716 5670 1 17 . 1 1 21 21 PHE C C 21 178.613 178.613 177.759 0.854 17716 5671 1 17 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.327 1.391 17716 5672 1 17 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.904 0.765 17716 5673 1 17 . 1 1 21 21 PHE H H 21 9.324 9.324 8.463 0.861 17716 5674 1 17 . 1 1 22 22 LYS N N 22 122.104 122.104 120.825 1.279 17716 5675 1 17 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.143 -0.204 17716 5676 1 17 . 1 1 22 22 LYS C C 22 175.969 175.969 176.483 -0.514 17716 5677 1 17 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.432 1.432 17716 5678 1 17 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.112 0.502 17716 5679 1 17 . 1 1 22 22 LYS H H 22 8.411 8.411 8.809 -0.398 17716 5680 1 17 . 1 1 23 23 ASP N N 23 114.797 114.797 117.437 -2.640 17716 5681 1 17 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.607 -0.118 17716 5682 1 17 . 1 1 23 23 ASP C C 23 176.794 176.794 176.808 -0.014 17716 5683 1 17 . 1 1 23 23 ASP CA C 23 53.405 53.405 54.296 -0.891 17716 5684 1 17 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.441 -0.799 17716 5685 1 17 . 1 1 23 23 ASP H H 23 8.006 8.006 8.127 -0.121 17716 5686 1 17 . 1 1 24 24 GLY N N 24 109.105 109.105 108.437 0.668 17716 5687 1 17 . 1 1 24 24 GLY C C 24 173.844 173.844 173.982 -0.138 17716 5688 1 17 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.379 -0.383 17716 5689 1 17 . 1 1 24 24 GLY H H 24 8.346 8.346 7.554 0.792 17716 5690 1 17 . 1 1 25 25 LYS N N 25 117.557 117.557 120.562 -3.005 17716 5691 1 17 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.359 -0.005 17716 5692 1 17 . 1 1 25 25 LYS C C 25 175.862 175.862 176.589 -0.727 17716 5693 1 17 . 1 1 25 25 LYS CA C 25 56.178 56.178 55.995 0.183 17716 5694 1 17 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.154 0.486 17716 5695 1 17 . 1 1 25 25 LYS H H 25 7.584 7.584 7.992 -0.408 17716 5696 1 17 . 1 1 26 26 MET N N 26 116.628 116.628 119.678 -3.050 17716 5697 1 17 . 1 1 26 26 MET HA H 26 5.995 5.995 4.653 1.342 17716 5698 1 17 . 1 1 26 26 MET C C 26 175.724 175.724 176.527 -0.803 17716 5699 1 17 . 1 1 26 26 MET CA C 26 55.469 55.469 56.127 -0.658 17716 5700 1 17 . 1 1 26 26 MET CB C 26 36.562 36.562 34.739 1.823 17716 5701 1 17 . 1 1 26 26 MET H H 26 8.599 8.599 8.649 -0.050 17716 5702 1 17 . 1 1 27 27 GLY N N 27 104.570 104.570 105.645 -1.075 17716 5703 1 17 . 1 1 27 27 GLY C C 27 183.552 183.552 173.453 10.099 17716 5704 1 17 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.932 -0.471 17716 5705 1 17 . 1 1 27 27 GLY H H 27 9.063 9.063 8.288 0.775 17716 5706 1 17 . 1 1 28 28 MET N N 28 119.860 119.860 123.006 -3.146 17716 5707 1 17 . 1 1 28 28 MET HA H 28 5.302 5.302 4.448 0.854 17716 5708 1 17 . 1 1 28 28 MET C C 28 173.431 173.431 175.684 -2.253 17716 5709 1 17 . 1 1 28 28 MET CA C 28 52.106 52.106 55.669 -3.563 17716 5710 1 17 . 1 1 28 28 MET CB C 28 31.508 31.508 32.828 -1.320 17716 5711 1 17 . 1 1 28 28 MET H H 28 8.751 8.751 8.934 -0.183 17716 5712 1 17 . 1 1 29 29 GLU N N 29 123.440 123.440 120.825 2.615 17716 5713 1 17 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.687 0.320 17716 5714 1 17 . 1 1 29 29 GLU C C 29 175.479 175.479 174.957 0.522 17716 5715 1 17 . 1 1 29 29 GLU CA C 29 54.099 54.099 55.787 -1.688 17716 5716 1 17 . 1 1 29 29 GLU CB C 29 34.430 34.430 32.464 1.966 17716 5717 1 17 . 1 1 29 29 GLU H H 29 8.904 8.904 8.369 0.535 17716 5718 1 17 . 1 1 30 30 ASN N N 30 123.219 123.219 125.721 -2.502 17716 5719 1 17 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.977 -0.354 17716 5720 1 17 . 1 1 30 30 ASN C C 30 176.886 176.886 176.806 0.080 17716 5721 1 17 . 1 1 30 30 ASN CA C 30 51.418 51.418 51.546 -0.128 17716 5722 1 17 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.895 -0.727 17716 5723 1 17 . 1 1 30 30 ASN H H 30 9.339 9.339 8.911 0.428 17716 5724 1 17 . 1 1 31 31 LYS N N 31 116.491 116.491 120.768 -4.277 17716 5725 1 17 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.156 -0.214 17716 5726 1 17 . 1 1 31 31 LYS C C 31 175.663 175.663 176.327 -0.664 17716 5727 1 17 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.743 0.362 17716 5728 1 17 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.221 0.207 17716 5729 1 17 . 1 1 31 31 LYS H H 31 8.512 8.512 8.849 -0.337 17716 5730 1 17 . 1 1 32 32 PHE N N 32 117.885 117.885 119.239 -1.354 17716 5731 1 17 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.528 0.227 17716 5732 1 17 . 1 1 32 32 PHE C C 32 176.060 176.060 176.061 -0.001 17716 5733 1 17 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.433 -0.856 17716 5734 1 17 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.665 0.187 17716 5735 1 17 . 1 1 32 32 PHE H H 32 7.507 7.507 7.927 -0.420 17716 5736 1 17 . 1 1 33 33 GLY N N 33 108.245 108.245 108.812 -0.567 17716 5737 1 17 . 1 1 33 33 GLY C C 33 173.828 173.828 173.634 0.194 17716 5738 1 17 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.737 -0.091 17716 5739 1 17 . 1 1 33 33 GLY H H 33 8.062 8.062 7.838 0.224 17716 5740 1 17 . 1 1 34 34 LYS N N 34 117.724 117.724 117.800 -0.076 17716 5741 1 17 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.873 -0.231 17716 5742 1 17 . 1 1 34 34 LYS C C 34 175.862 175.862 174.735 1.127 17716 5743 1 17 . 1 1 34 34 LYS CA C 34 53.061 53.061 53.700 -0.639 17716 5744 1 17 . 1 1 34 34 LYS CB C 34 34.193 34.193 35.952 -1.759 17716 5745 1 17 . 1 1 34 34 LYS H H 34 7.561 7.561 8.259 -0.698 17716 5746 1 17 . 1 1 35 35 SER N N 35 117.079 117.079 114.661 2.418 17716 5747 1 17 . 1 1 35 35 SER HA H 35 5.001 5.001 4.502 0.499 17716 5748 1 17 . 1 1 35 35 SER C C 35 174.210 174.210 174.071 0.139 17716 5749 1 17 . 1 1 35 35 SER CA C 35 57.953 57.953 57.452 0.501 17716 5750 1 17 . 1 1 35 35 SER CB C 35 64.043 64.043 64.158 -0.115 17716 5751 1 17 . 1 1 35 35 SER H H 35 8.588 8.588 8.503 0.085 17716 5752 1 17 . 1 1 36 36 MET N N 36 117.966 117.966 120.484 -2.518 17716 5753 1 17 . 1 1 36 36 MET HA H 36 4.765 4.765 4.503 0.262 17716 5754 1 17 . 1 1 36 36 MET C C 36 173.461 173.461 174.445 -0.984 17716 5755 1 17 . 1 1 36 36 MET CA C 36 54.055 54.055 53.996 0.059 17716 5756 1 17 . 1 1 36 36 MET CB C 36 36.009 36.009 35.979 0.030 17716 5757 1 17 . 1 1 36 36 MET H H 36 8.044 8.044 8.278 -0.234 17716 5758 1 17 . 1 1 37 37 ASN N N 37 122.101 122.101 123.913 -1.812 17716 5759 1 17 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.481 0.214 17716 5760 1 17 . 1 1 37 37 ASN C C 37 175.770 175.770 174.547 1.223 17716 5761 1 17 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.853 0.164 17716 5762 1 17 . 1 1 37 37 ASN CB C 37 40.984 40.984 39.176 1.808 17716 5763 1 17 . 1 1 37 37 ASN H H 37 8.753 8.753 8.450 0.303 17716 5764 1 17 . 1 1 38 38 MET N N 38 122.627 122.627 126.816 -4.189 17716 5765 1 17 . 1 1 38 38 MET HA H 38 4.623 4.623 4.843 -0.220 17716 5766 1 17 . 1 1 38 38 MET CA C 38 54.093 54.093 52.079 2.014 17716 5767 1 17 . 1 1 38 38 MET CB C 38 38.708 38.708 36.108 2.600 17716 5768 1 17 . 1 1 38 38 MET H H 38 8.133 8.133 8.585 -0.452 17716 5769 1 17 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.895 -0.615 17716 5770 1 17 . 1 1 39 39 PRO C C 39 175.831 175.831 176.695 -0.864 17716 5771 1 17 . 1 1 39 39 PRO CA C 39 62.654 62.654 61.962 0.692 17716 5772 1 17 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.230 0.226 17716 5773 1 17 . 1 1 40 40 GLU N N 40 120.437 120.437 122.416 -1.979 17716 5774 1 17 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.001 -0.305 17716 5775 1 17 . 1 1 40 40 GLU C C 40 177.757 177.757 177.259 0.498 17716 5776 1 17 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.616 0.184 17716 5777 1 17 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.952 1.056 17716 5778 1 17 . 1 1 40 40 GLU H H 40 8.322 8.322 8.569 -0.247 17716 5779 1 17 . 1 1 41 41 GLY N N 41 112.092 112.092 112.995 -0.903 17716 5780 1 17 . 1 1 41 41 GLY C C 41 173.935 173.935 174.404 -0.469 17716 5781 1 17 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.765 0.040 17716 5782 1 17 . 1 1 41 41 GLY H H 41 9.188 9.188 8.558 0.630 17716 5783 1 17 . 1 1 42 42 LYS N N 42 120.325 120.325 124.314 -3.989 17716 5784 1 17 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.261 -0.013 17716 5785 1 17 . 1 1 42 42 LYS C C 42 175.755 175.755 176.760 -1.005 17716 5786 1 17 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.939 -0.241 17716 5787 1 17 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.827 1.024 17716 5788 1 17 . 1 1 42 42 LYS H H 42 6.967 6.967 7.740 -0.773 17716 5789 1 17 . 1 1 43 43 VAL N N 43 124.724 124.724 125.224 -0.500 17716 5790 1 17 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.784 0.193 17716 5791 1 17 . 1 1 43 43 VAL C C 43 175.770 175.770 176.160 -0.390 17716 5792 1 17 . 1 1 43 43 VAL CA C 43 63.610 63.610 63.538 0.073 17716 5793 1 17 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.776 0.205 17716 5794 1 17 . 1 1 43 43 VAL H H 43 8.572 8.572 8.102 0.470 17716 5795 1 17 . 1 1 44 44 MET N N 44 127.278 127.278 127.582 -0.304 17716 5796 1 17 . 1 1 44 44 MET HA H 44 4.545 4.545 4.791 -0.246 17716 5797 1 17 . 1 1 44 44 MET C C 44 173.522 173.522 174.751 -1.229 17716 5798 1 17 . 1 1 44 44 MET CA C 44 53.558 53.558 54.486 -0.928 17716 5799 1 17 . 1 1 44 44 MET CB C 44 34.351 34.351 35.185 -0.834 17716 5800 1 17 . 1 1 44 44 MET H H 44 8.963 8.963 8.616 0.347 17716 5801 1 17 . 1 1 45 45 GLU N N 45 122.374 122.374 123.621 -1.247 17716 5802 1 17 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.125 -0.016 17716 5803 1 17 . 1 1 45 45 GLU C C 45 176.320 176.320 176.657 -0.337 17716 5804 1 17 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.977 0.765 17716 5805 1 17 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.202 -0.220 17716 5806 1 17 . 1 1 45 45 GLU H H 45 8.668 8.668 8.772 -0.104 17716 5807 1 17 . 1 1 46 46 THR N N 46 116.696 116.696 118.257 -1.561 17716 5808 1 17 . 1 1 46 46 THR HA H 46 4.757 4.757 4.945 -0.188 17716 5809 1 17 . 1 1 46 46 THR C C 46 176.657 176.657 177.024 -0.367 17716 5810 1 17 . 1 1 46 46 THR CA C 46 61.317 61.317 60.773 0.544 17716 5811 1 17 . 1 1 46 46 THR CB C 46 70.203 70.203 70.799 -0.596 17716 5812 1 17 . 1 1 46 46 THR H H 46 9.083 9.083 8.157 0.926 17716 5813 1 17 . 1 1 47 47 ARG N N 47 119.546 119.546 122.050 -2.504 17716 5814 1 17 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.018 -0.002 17716 5815 1 17 . 1 1 47 47 ARG C C 47 176.519 176.519 177.172 -0.653 17716 5816 1 17 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.088 0.203 17716 5817 1 17 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.534 0.158 17716 5818 1 17 . 1 1 47 47 ARG H H 47 8.580 8.580 8.787 -0.207 17716 5819 1 17 . 1 1 48 48 ASP N N 48 114.579 114.579 118.195 -3.616 17716 5820 1 17 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.608 0.101 17716 5821 1 17 . 1 1 48 48 ASP C C 48 176.519 176.519 176.414 0.105 17716 5822 1 17 . 1 1 48 48 ASP CA C 48 53.443 53.443 53.777 -0.334 17716 5823 1 17 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.912 -0.480 17716 5824 1 17 . 1 1 48 48 ASP H H 48 7.884 7.884 7.946 -0.062 17716 5825 1 17 . 1 1 49 49 GLY N N 49 107.958 107.958 108.134 -0.176 17716 5826 1 17 . 1 1 49 49 GLY C C 49 174.547 174.547 174.634 -0.087 17716 5827 1 17 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.167 0.097 17716 5828 1 17 . 1 1 49 49 GLY H H 49 7.838 7.838 8.051 -0.213 17716 5829 1 17 . 1 1 50 50 THR N N 50 118.527 118.527 117.209 1.318 17716 5830 1 17 . 1 1 50 50 THR HA H 50 4.100 4.100 4.354 -0.254 17716 5831 1 17 . 1 1 50 50 THR C C 50 173.339 173.339 174.107 -0.768 17716 5832 1 17 . 1 1 50 50 THR CA C 50 63.381 63.381 62.912 0.469 17716 5833 1 17 . 1 1 50 50 THR CB C 50 68.781 68.781 69.682 -0.901 17716 5834 1 17 . 1 1 50 50 THR H H 50 7.783 7.783 8.252 -0.469 17716 5835 1 17 . 1 1 51 51 LYS N N 51 125.284 125.284 129.165 -3.881 17716 5836 1 17 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.423 0.648 17716 5837 1 17 . 1 1 51 51 LYS C C 51 176.137 176.137 176.066 0.071 17716 5838 1 17 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.191 -1.104 17716 5839 1 17 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.782 0.541 17716 5840 1 17 . 1 1 51 51 LYS H H 51 8.569 8.569 8.584 -0.015 17716 5841 1 17 . 1 1 52 52 ILE N N 52 123.781 123.781 123.756 0.025 17716 5842 1 17 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.469 -0.297 17716 5843 1 17 . 1 1 52 52 ILE C C 52 174.730 174.730 174.506 0.224 17716 5844 1 17 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.775 -0.216 17716 5845 1 17 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.465 1.389 17716 5846 1 17 . 1 1 52 52 ILE H H 52 8.887 8.887 8.124 0.763 17716 5847 1 17 . 1 1 53 53 ILE N N 53 128.421 128.421 124.728 3.693 17716 5848 1 17 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.299 -0.218 17716 5849 1 17 . 1 1 53 53 ILE C C 53 176.412 176.412 175.533 0.879 17716 5850 1 17 . 1 1 53 53 ILE CA C 53 60.476 60.476 59.006 1.470 17716 5851 1 17 . 1 1 53 53 ILE CB C 53 37.431 37.431 38.250 -0.819 17716 5852 1 17 . 1 1 53 53 ILE H H 53 8.567 8.567 8.516 0.051 17716 5853 1 17 . 1 1 54 54 MET N N 54 126.582 126.582 127.301 -0.719 17716 5854 1 17 . 1 1 54 54 MET HA H 54 4.282 4.282 4.337 -0.055 17716 5855 1 17 . 1 1 54 54 MET C C 54 174.547 174.547 175.852 -1.305 17716 5856 1 17 . 1 1 54 54 MET CA C 54 56.424 56.424 55.340 1.084 17716 5857 1 17 . 1 1 54 54 MET CB C 54 31.587 31.587 31.540 0.047 17716 5858 1 17 . 1 1 54 54 MET H H 54 8.886 8.886 8.682 0.204 17716 5859 1 17 . 1 1 55 55 LYS N N 55 106.838 106.838 127.269 -20.431 17716 5860 1 17 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.395 0.309 17716 5861 1 17 . 1 1 55 55 LYS C C 55 175.051 175.051 177.312 -2.261 17716 5862 1 17 . 1 1 55 55 LYS CA C 55 55.431 55.431 57.685 -2.254 17716 5863 1 17 . 1 1 55 55 LYS CB C 55 34.193 34.193 33.148 1.044 17716 5864 1 17 . 1 1 55 55 LYS H H 55 8.559 8.559 7.810 0.749 17716 5865 1 17 . 1 1 56 56 GLY N N 56 113.486 113.486 107.318 6.168 17716 5866 1 17 . 1 1 56 56 GLY C C 56 181.029 181.029 173.770 7.259 17716 5867 1 17 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.114 0.347 17716 5868 1 17 . 1 1 56 56 GLY H H 56 9.317 9.317 8.313 1.004 17716 5869 1 17 . 1 1 57 57 ASN N N 57 112.557 112.557 119.816 -7.259 17716 5870 1 17 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.555 0.175 17716 5871 1 17 . 1 1 57 57 ASN C C 57 177.023 177.023 176.252 0.771 17716 5872 1 17 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.153 -0.174 17716 5873 1 17 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.971 -1.698 17716 5874 1 17 . 1 1 57 57 ASN H H 57 8.732 8.732 7.778 0.954 17716 5875 1 17 . 1 1 58 58 GLU N N 58 123.440 123.440 121.455 1.985 17716 5876 1 17 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.545 -0.171 17716 5877 1 17 . 1 1 58 58 GLU C C 58 176.244 176.244 177.214 -0.970 17716 5878 1 17 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.175 -0.432 17716 5879 1 17 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.637 0.160 17716 5880 1 17 . 1 1 58 58 GLU H H 58 9.124 9.124 8.402 0.722 17716 5881 1 17 . 1 1 59 59 ILE N N 59 120.912 120.912 117.552 3.360 17716 5882 1 17 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.742 -0.115 17716 5883 1 17 . 1 1 59 59 ILE C C 59 177.360 177.360 176.846 0.514 17716 5884 1 17 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.804 1.029 17716 5885 1 17 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.369 0.457 17716 5886 1 17 . 1 1 59 59 ILE H H 59 7.703 7.703 7.901 -0.198 17716 5887 1 17 . 1 1 60 60 PHE N N 60 119.669 119.669 119.561 0.108 17716 5888 1 17 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.232 0.251 17716 5889 1 17 . 1 1 60 60 PHE C C 60 178.889 178.889 177.387 1.502 17716 5890 1 17 . 1 1 60 60 PHE CA C 60 60.514 60.514 61.137 -0.623 17716 5891 1 17 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.384 -0.321 17716 5892 1 17 . 1 1 60 60 PHE H H 60 7.934 7.934 7.737 0.197 17716 5893 1 17 . 1 1 61 61 ARG N N 61 119.587 119.587 116.598 2.989 17716 5894 1 17 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.924 0.113 17716 5895 1 17 . 1 1 61 61 ARG C C 61 180.051 180.051 177.828 2.223 17716 5896 1 17 . 1 1 61 61 ARG CA C 61 58.832 58.832 57.839 0.993 17716 5897 1 17 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.154 2.442 17716 5898 1 17 . 1 1 61 61 ARG H H 61 8.133 8.133 8.115 0.018 17716 5899 1 17 . 1 1 62 62 LEU N N 62 121.008 121.008 119.533 1.475 17716 5900 1 17 . 1 1 62 62 LEU CA C 62 57.227 57.227 56.596 0.631 17716 5901 1 17 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.402 -1.166 17716 5902 1 17 . 1 1 62 62 LEU H H 62 8.517 8.517 7.883 0.634 17716 5903 1 17 . 1 1 70 70 HIS C C 70 177.253 177.253 173.734 3.519 17716 5904 1 17 . 1 1 71 71 SER N N 71 121.301 121.301 113.478 7.823 17716 5905 1 17 . 1 1 71 71 SER C C 71 173.461 173.461 175.398 -1.937 17716 5906 1 17 . 1 1 71 71 SER CA C 71 58.259 58.259 58.730 -0.471 17716 5907 1 17 . 1 1 71 71 SER H H 71 8.652 8.652 8.235 0.417 17716 5908 1 17 . 1 1 72 72 GLU N N 72 122.601 122.601 123.279 -0.678 17716 5909 1 17 . 1 1 72 72 GLU C C 72 176.916 176.916 178.301 -1.385 17716 5910 1 17 . 1 1 72 72 GLU CA C 72 54.781 54.781 57.490 -2.709 17716 5911 1 17 . 1 1 72 72 GLU CB C 72 30.008 30.008 30.134 -0.126 17716 5912 1 17 . 1 1 72 72 GLU H H 72 8.705 8.705 8.547 0.158 17716 5913 1 17 . 1 1 73 73 GLY N N 73 110.370 110.370 107.623 2.747 17716 5914 1 17 . 1 1 73 73 GLY C C 73 173.736 173.736 174.817 -1.081 17716 5915 1 17 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.540 -0.276 17716 5916 1 17 . 1 1 73 73 GLY H H 73 8.441 8.441 8.365 0.076 17716 5917 1 18 . 1 1 2 2 ASP N N 2 117.290 117.290 121.480 -4.190 17716 5918 1 18 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.347 0.690 17716 5919 1 18 . 1 1 2 2 ASP H H 2 8.582 8.582 7.920 0.662 17716 5920 1 18 . 1 1 3 3 MET N N 3 117.021 117.021 119.820 -2.799 17716 5921 1 18 . 1 1 3 3 MET CA C 3 58.045 58.045 57.467 0.578 17716 5922 1 18 . 1 1 3 3 MET H H 3 8.539 8.539 8.461 0.078 17716 5923 1 18 . 1 1 4 4 SER N N 4 121.274 121.274 113.600 7.674 17716 5924 1 18 . 1 1 4 4 SER C C 4 176.458 176.458 175.003 1.455 17716 5925 1 18 . 1 1 4 4 SER CA C 4 59.826 59.826 60.465 -0.639 17716 5926 1 18 . 1 1 4 4 SER H H 4 8.699 8.699 8.210 0.489 17716 5927 1 18 . 1 1 5 5 ASN N N 5 115.377 115.377 116.662 -1.285 17716 5928 1 18 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.244 -0.030 17716 5929 1 18 . 1 1 5 5 ASN H H 5 8.125 8.125 8.145 -0.020 17716 5930 1 18 . 1 1 6 6 VAL N N 6 121.274 121.274 119.401 1.873 17716 5931 1 18 . 1 1 6 6 VAL C C 6 175.755 175.755 174.863 0.892 17716 5932 1 18 . 1 1 6 6 VAL CA C 6 63.534 63.534 61.206 2.328 17716 5933 1 18 . 1 1 6 6 VAL H H 6 7.572 7.572 8.254 -0.682 17716 5934 1 18 . 1 1 7 7 VAL N N 7 125.259 125.259 120.336 4.923 17716 5935 1 18 . 1 1 7 7 VAL HA H 7 4.296 4.296 3.830 0.466 17716 5936 1 18 . 1 1 7 7 VAL C C 7 175.602 175.602 174.532 1.070 17716 5937 1 18 . 1 1 7 7 VAL CA C 7 63.725 63.725 63.418 0.307 17716 5938 1 18 . 1 1 7 7 VAL CB C 7 32.784 32.784 31.560 1.224 17716 5939 1 18 . 1 1 7 7 VAL H H 7 8.572 8.572 8.360 0.212 17716 5940 1 18 . 1 1 8 8 LYS N N 8 121.875 121.875 124.458 -2.583 17716 5941 1 18 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.285 0.053 17716 5942 1 18 . 1 1 8 8 LYS C C 8 172.743 172.743 174.302 -1.559 17716 5943 1 18 . 1 1 8 8 LYS CA C 8 55.507 55.507 56.404 -0.897 17716 5944 1 18 . 1 1 8 8 LYS CB C 8 36.176 36.176 34.830 1.346 17716 5945 1 18 . 1 1 8 8 LYS H H 8 7.437 7.437 8.402 -0.965 17716 5946 1 18 . 1 1 9 9 THR N N 9 121.187 121.187 120.781 0.406 17716 5947 1 18 . 1 1 9 9 THR HA H 9 5.106 5.106 4.958 0.148 17716 5948 1 18 . 1 1 9 9 THR C C 9 173.660 173.660 172.956 0.704 17716 5949 1 18 . 1 1 9 9 THR CA C 9 61.928 61.928 61.676 0.252 17716 5950 1 18 . 1 1 9 9 THR CB C 9 71.703 71.703 70.093 1.610 17716 5951 1 18 . 1 1 9 9 THR H H 9 8.041 8.041 7.866 0.175 17716 5952 1 18 . 1 1 10 10 TYR N N 10 123.795 123.795 126.172 -2.377 17716 5953 1 18 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.571 0.215 17716 5954 1 18 . 1 1 10 10 TYR C C 10 174.684 174.684 175.034 -0.350 17716 5955 1 18 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.484 -0.136 17716 5956 1 18 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.231 1.043 17716 5957 1 18 . 1 1 10 10 TYR H H 10 9.078 9.078 8.200 0.878 17716 5958 1 18 . 1 1 11 11 ASP N N 11 123.002 123.002 126.344 -3.342 17716 5959 1 18 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.583 0.172 17716 5960 1 18 . 1 1 11 11 ASP C C 11 176.137 176.137 175.503 0.634 17716 5961 1 18 . 1 1 11 11 ASP CA C 11 54.666 54.666 54.513 0.153 17716 5962 1 18 . 1 1 11 11 ASP CB C 11 41.695 41.695 39.929 1.766 17716 5963 1 18 . 1 1 11 11 ASP H H 11 8.814 8.814 8.958 -0.144 17716 5964 1 18 . 1 1 12 12 LEU N N 12 121.896 121.896 123.307 -1.411 17716 5965 1 18 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.310 0.497 17716 5966 1 18 . 1 1 12 12 LEU C C 12 179.072 179.072 178.519 0.553 17716 5967 1 18 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.030 -1.090 17716 5968 1 18 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.888 -1.904 17716 5969 1 18 . 1 1 12 12 LEU H H 12 8.606 8.606 7.801 0.805 17716 5970 1 18 . 1 1 13 13 GLN N N 13 119.615 119.615 121.486 -1.871 17716 5971 1 18 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.198 -0.221 17716 5972 1 18 . 1 1 13 13 GLN C C 13 175.923 175.923 176.449 -0.526 17716 5973 1 18 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.124 0.364 17716 5974 1 18 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.663 -0.393 17716 5975 1 18 . 1 1 13 13 GLN H H 13 8.360 8.360 8.671 -0.311 17716 5976 1 18 . 1 1 14 14 ASP N N 14 115.289 115.289 119.169 -3.880 17716 5977 1 18 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.717 -0.230 17716 5978 1 18 . 1 1 14 14 ASP C C 14 177.161 177.161 176.866 0.295 17716 5979 1 18 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.705 -0.300 17716 5980 1 18 . 1 1 14 14 ASP CB C 14 39.879 39.879 39.913 -0.034 17716 5981 1 18 . 1 1 14 14 ASP H H 14 7.843 7.843 8.337 -0.494 17716 5982 1 18 . 1 1 15 15 GLY N N 15 107.917 107.917 106.984 0.933 17716 5983 1 18 . 1 1 15 15 GLY C C 15 174.333 174.333 173.825 0.508 17716 5984 1 18 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.434 -0.246 17716 5985 1 18 . 1 1 15 15 GLY H H 15 7.799 7.799 7.638 0.161 17716 5986 1 18 . 1 1 16 16 SER N N 16 116.054 116.054 114.975 1.079 17716 5987 1 18 . 1 1 16 16 SER HA H 16 4.405 4.405 4.310 0.095 17716 5988 1 18 . 1 1 16 16 SER C C 16 172.146 172.146 173.186 -1.040 17716 5989 1 18 . 1 1 16 16 SER CA C 16 58.450 58.450 58.268 0.182 17716 5990 1 18 . 1 1 16 16 SER CB C 16 64.517 64.517 64.810 -0.293 17716 5991 1 18 . 1 1 16 16 SER H H 16 7.927 7.927 7.656 0.271 17716 5992 1 18 . 1 1 17 17 LYS N N 17 117.434 117.434 119.467 -2.033 17716 5993 1 18 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.062 0.121 17716 5994 1 18 . 1 1 17 17 LYS C C 17 175.724 175.724 175.486 0.238 17716 5995 1 18 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.844 -0.795 17716 5996 1 18 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.463 1.205 17716 5997 1 18 . 1 1 17 17 LYS H H 17 9.127 9.127 7.662 1.465 17716 5998 1 18 . 1 1 18 18 VAL N N 18 117.543 117.543 123.256 -5.713 17716 5999 1 18 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.723 0.292 17716 6000 1 18 . 1 1 18 18 VAL C C 18 183.445 183.445 175.247 8.198 17716 6001 1 18 . 1 1 18 18 VAL CA C 18 58.679 58.679 62.291 -3.611 17716 6002 1 18 . 1 1 18 18 VAL CB C 18 34.509 34.509 32.975 1.534 17716 6003 1 18 . 1 1 18 18 VAL H H 18 8.580 8.580 8.231 0.349 17716 6004 1 18 . 1 1 19 19 HIS N N 19 128.371 128.371 122.501 5.870 17716 6005 1 18 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.036 -0.030 17716 6006 1 18 . 1 1 19 19 HIS C C 19 174.302 174.302 173.430 0.872 17716 6007 1 18 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.339 0.251 17716 6008 1 18 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.587 0.500 17716 6009 1 18 . 1 1 19 19 HIS H H 19 8.901 8.901 8.915 -0.014 17716 6010 1 18 . 1 1 20 20 VAL N N 20 123.150 123.150 122.073 1.077 17716 6011 1 18 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.583 -0.137 17716 6012 1 18 . 1 1 20 20 VAL C C 20 176.045 176.045 173.334 2.711 17716 6013 1 18 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.593 0.915 17716 6014 1 18 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.443 -0.829 17716 6015 1 18 . 1 1 20 20 VAL H H 20 9.351 9.351 7.783 1.568 17716 6016 1 18 . 1 1 21 21 PHE N N 21 124.942 124.942 121.148 3.794 17716 6017 1 18 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.756 0.130 17716 6018 1 18 . 1 1 21 21 PHE C C 21 178.613 178.613 177.650 0.963 17716 6019 1 18 . 1 1 21 21 PHE CA C 21 58.718 58.718 56.815 1.903 17716 6020 1 18 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.830 -0.161 17716 6021 1 18 . 1 1 21 21 PHE H H 21 9.324 9.324 8.716 0.608 17716 6022 1 18 . 1 1 22 22 LYS N N 22 122.104 122.104 118.610 3.494 17716 6023 1 18 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.165 -0.226 17716 6024 1 18 . 1 1 22 22 LYS C C 22 175.969 175.969 176.613 -0.644 17716 6025 1 18 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.659 1.205 17716 6026 1 18 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.582 0.032 17716 6027 1 18 . 1 1 22 22 LYS H H 22 8.411 8.411 8.549 -0.138 17716 6028 1 18 . 1 1 23 23 ASP N N 23 114.797 114.797 116.400 -1.603 17716 6029 1 18 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.654 -0.165 17716 6030 1 18 . 1 1 23 23 ASP C C 23 176.794 176.794 176.706 0.088 17716 6031 1 18 . 1 1 23 23 ASP CA C 23 53.405 53.405 54.438 -1.033 17716 6032 1 18 . 1 1 23 23 ASP CB C 23 39.642 39.642 39.640 0.002 17716 6033 1 18 . 1 1 23 23 ASP H H 23 8.006 8.006 8.278 -0.272 17716 6034 1 18 . 1 1 24 24 GLY N N 24 109.105 109.105 107.953 1.152 17716 6035 1 18 . 1 1 24 24 GLY C C 24 173.844 173.844 174.539 -0.695 17716 6036 1 18 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.668 -0.672 17716 6037 1 18 . 1 1 24 24 GLY H H 24 8.346 8.346 7.581 0.765 17716 6038 1 18 . 1 1 25 25 LYS N N 25 117.557 117.557 120.228 -2.671 17716 6039 1 18 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.314 0.040 17716 6040 1 18 . 1 1 25 25 LYS C C 25 175.862 175.862 176.622 -0.760 17716 6041 1 18 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.417 -0.239 17716 6042 1 18 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.177 0.463 17716 6043 1 18 . 1 1 25 25 LYS H H 25 7.584 7.584 7.907 -0.323 17716 6044 1 18 . 1 1 26 26 MET N N 26 116.628 116.628 120.226 -3.598 17716 6045 1 18 . 1 1 26 26 MET HA H 26 5.995 5.995 4.518 1.477 17716 6046 1 18 . 1 1 26 26 MET C C 26 175.724 175.724 176.095 -0.371 17716 6047 1 18 . 1 1 26 26 MET CA C 26 55.469 55.469 56.475 -1.006 17716 6048 1 18 . 1 1 26 26 MET CB C 26 36.562 36.562 35.061 1.501 17716 6049 1 18 . 1 1 26 26 MET H H 26 8.599 8.599 8.660 -0.061 17716 6050 1 18 . 1 1 27 27 GLY N N 27 104.570 104.570 105.917 -1.347 17716 6051 1 18 . 1 1 27 27 GLY C C 27 183.552 183.552 172.881 10.671 17716 6052 1 18 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.892 -0.430 17716 6053 1 18 . 1 1 27 27 GLY H H 27 9.063 9.063 8.292 0.771 17716 6054 1 18 . 1 1 28 28 MET N N 28 119.860 119.860 124.981 -5.121 17716 6055 1 18 . 1 1 28 28 MET HA H 28 5.302 5.302 4.650 0.652 17716 6056 1 18 . 1 1 28 28 MET C C 28 173.431 173.431 174.283 -0.852 17716 6057 1 18 . 1 1 28 28 MET CA C 28 52.106 52.106 53.774 -1.668 17716 6058 1 18 . 1 1 28 28 MET CB C 28 31.508 31.508 32.633 -1.125 17716 6059 1 18 . 1 1 28 28 MET H H 28 8.751 8.751 8.981 -0.230 17716 6060 1 18 . 1 1 29 29 GLU N N 29 123.440 123.440 126.154 -2.714 17716 6061 1 18 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.599 0.408 17716 6062 1 18 . 1 1 29 29 GLU C C 29 175.479 175.479 175.773 -0.294 17716 6063 1 18 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.653 -0.554 17716 6064 1 18 . 1 1 29 29 GLU CB C 29 34.430 34.430 30.858 3.572 17716 6065 1 18 . 1 1 29 29 GLU H H 29 8.904 8.904 7.923 0.981 17716 6066 1 18 . 1 1 30 30 ASN N N 30 123.219 123.219 124.969 -1.750 17716 6067 1 18 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.701 -0.078 17716 6068 1 18 . 1 1 30 30 ASN C C 30 176.886 176.886 176.009 0.877 17716 6069 1 18 . 1 1 30 30 ASN CA C 30 51.418 51.418 53.239 -1.821 17716 6070 1 18 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.855 -0.687 17716 6071 1 18 . 1 1 30 30 ASN H H 30 9.339 9.339 8.243 1.096 17716 6072 1 18 . 1 1 31 31 LYS N N 31 116.491 116.491 118.503 -2.012 17716 6073 1 18 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.172 -0.230 17716 6074 1 18 . 1 1 31 31 LYS C C 31 175.663 175.663 176.441 -0.778 17716 6075 1 18 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.961 0.145 17716 6076 1 18 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.538 -0.109 17716 6077 1 18 . 1 1 31 31 LYS H H 31 8.512 8.512 8.488 0.024 17716 6078 1 18 . 1 1 32 32 PHE N N 32 117.885 117.885 118.856 -0.971 17716 6079 1 18 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.596 0.159 17716 6080 1 18 . 1 1 32 32 PHE C C 32 176.060 176.060 176.476 -0.416 17716 6081 1 18 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.269 -0.692 17716 6082 1 18 . 1 1 32 32 PHE CB C 32 38.852 38.852 37.627 1.224 17716 6083 1 18 . 1 1 32 32 PHE H H 32 7.507 7.507 7.654 -0.147 17716 6084 1 18 . 1 1 33 33 GLY N N 33 108.245 108.245 106.102 2.143 17716 6085 1 18 . 1 1 33 33 GLY C C 33 173.828 173.828 173.633 0.195 17716 6086 1 18 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.465 0.181 17716 6087 1 18 . 1 1 33 33 GLY H H 33 8.062 8.062 7.806 0.256 17716 6088 1 18 . 1 1 34 34 LYS N N 34 117.724 117.724 118.109 -0.385 17716 6089 1 18 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.622 0.020 17716 6090 1 18 . 1 1 34 34 LYS C C 34 175.862 175.862 174.459 1.403 17716 6091 1 18 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.116 -1.055 17716 6092 1 18 . 1 1 34 34 LYS CB C 34 34.193 34.193 36.294 -2.100 17716 6093 1 18 . 1 1 34 34 LYS H H 34 7.561 7.561 7.506 0.055 17716 6094 1 18 . 1 1 35 35 SER N N 35 117.079 117.079 115.633 1.446 17716 6095 1 18 . 1 1 35 35 SER HA H 35 5.001 5.001 4.628 0.373 17716 6096 1 18 . 1 1 35 35 SER C C 35 174.210 174.210 174.032 0.178 17716 6097 1 18 . 1 1 35 35 SER CA C 35 57.953 57.953 57.873 0.080 17716 6098 1 18 . 1 1 35 35 SER CB C 35 64.043 64.043 64.010 0.033 17716 6099 1 18 . 1 1 35 35 SER H H 35 8.588 8.588 8.468 0.120 17716 6100 1 18 . 1 1 36 36 MET N N 36 117.966 117.966 127.289 -9.323 17716 6101 1 18 . 1 1 36 36 MET HA H 36 4.765 4.765 4.643 0.122 17716 6102 1 18 . 1 1 36 36 MET C C 36 173.461 173.461 174.656 -1.195 17716 6103 1 18 . 1 1 36 36 MET CA C 36 54.055 54.055 53.068 0.987 17716 6104 1 18 . 1 1 36 36 MET CB C 36 36.009 36.009 33.010 2.999 17716 6105 1 18 . 1 1 36 36 MET H H 36 8.044 8.044 8.291 -0.247 17716 6106 1 18 . 1 1 37 37 ASN N N 37 122.101 122.101 126.123 -4.022 17716 6107 1 18 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.575 0.120 17716 6108 1 18 . 1 1 37 37 ASN C C 37 175.770 175.770 174.578 1.192 17716 6109 1 18 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.667 0.350 17716 6110 1 18 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.487 2.497 17716 6111 1 18 . 1 1 37 37 ASN H H 37 8.753 8.753 8.796 -0.043 17716 6112 1 18 . 1 1 38 38 MET N N 38 122.627 122.627 126.422 -3.795 17716 6113 1 18 . 1 1 38 38 MET HA H 38 4.623 4.623 4.885 -0.262 17716 6114 1 18 . 1 1 38 38 MET CA C 38 54.093 54.093 52.646 1.447 17716 6115 1 18 . 1 1 38 38 MET CB C 38 38.708 38.708 34.413 4.295 17716 6116 1 18 . 1 1 38 38 MET H H 38 8.133 8.133 7.997 0.136 17716 6117 1 18 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.525 -0.245 17716 6118 1 18 . 1 1 39 39 PRO C C 39 175.831 175.831 176.671 -0.840 17716 6119 1 18 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.101 0.553 17716 6120 1 18 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.127 0.329 17716 6121 1 18 . 1 1 40 40 GLU N N 40 120.437 120.437 122.801 -2.364 17716 6122 1 18 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.157 -0.461 17716 6123 1 18 . 1 1 40 40 GLU C C 40 177.757 177.757 177.480 0.277 17716 6124 1 18 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.598 0.202 17716 6125 1 18 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.145 0.863 17716 6126 1 18 . 1 1 40 40 GLU H H 40 8.322 8.322 8.432 -0.110 17716 6127 1 18 . 1 1 41 41 GLY N N 41 112.092 112.092 111.835 0.257 17716 6128 1 18 . 1 1 41 41 GLY C C 41 173.935 173.935 175.060 -1.125 17716 6129 1 18 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.851 -0.046 17716 6130 1 18 . 1 1 41 41 GLY H H 41 9.188 9.188 8.459 0.729 17716 6131 1 18 . 1 1 42 42 LYS N N 42 120.325 120.325 124.367 -4.042 17716 6132 1 18 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.271 -0.023 17716 6133 1 18 . 1 1 42 42 LYS C C 42 175.755 175.755 176.639 -0.884 17716 6134 1 18 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.778 -0.080 17716 6135 1 18 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.510 1.341 17716 6136 1 18 . 1 1 42 42 LYS H H 42 6.967 6.967 7.780 -0.813 17716 6137 1 18 . 1 1 43 43 VAL N N 43 124.724 124.724 124.109 0.615 17716 6138 1 18 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.737 0.240 17716 6139 1 18 . 1 1 43 43 VAL C C 43 175.770 175.770 176.009 -0.239 17716 6140 1 18 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.341 -0.731 17716 6141 1 18 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.622 0.360 17716 6142 1 18 . 1 1 43 43 VAL H H 43 8.572 8.572 8.106 0.466 17716 6143 1 18 . 1 1 44 44 MET N N 44 127.278 127.278 127.335 -0.057 17716 6144 1 18 . 1 1 44 44 MET HA H 44 4.545 4.545 4.781 -0.236 17716 6145 1 18 . 1 1 44 44 MET C C 44 173.522 173.522 174.766 -1.244 17716 6146 1 18 . 1 1 44 44 MET CA C 44 53.558 53.558 54.545 -0.987 17716 6147 1 18 . 1 1 44 44 MET CB C 44 34.351 34.351 35.269 -0.918 17716 6148 1 18 . 1 1 44 44 MET H H 44 8.963 8.963 8.764 0.199 17716 6149 1 18 . 1 1 45 45 GLU N N 45 122.374 122.374 122.976 -0.602 17716 6150 1 18 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.225 -0.116 17716 6151 1 18 . 1 1 45 45 GLU C C 45 176.320 176.320 176.248 0.072 17716 6152 1 18 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.509 1.234 17716 6153 1 18 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.222 -0.240 17716 6154 1 18 . 1 1 45 45 GLU H H 45 8.668 8.668 8.693 -0.025 17716 6155 1 18 . 1 1 46 46 THR N N 46 116.696 116.696 117.583 -0.887 17716 6156 1 18 . 1 1 46 46 THR HA H 46 4.757 4.757 5.013 -0.256 17716 6157 1 18 . 1 1 46 46 THR C C 46 176.657 176.657 176.816 -0.159 17716 6158 1 18 . 1 1 46 46 THR CA C 46 61.317 61.317 60.534 0.783 17716 6159 1 18 . 1 1 46 46 THR CB C 46 70.203 70.203 70.620 -0.416 17716 6160 1 18 . 1 1 46 46 THR H H 46 9.083 9.083 8.444 0.639 17716 6161 1 18 . 1 1 47 47 ARG N N 47 119.546 119.546 123.795 -4.249 17716 6162 1 18 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.055 -0.039 17716 6163 1 18 . 1 1 47 47 ARG C C 47 176.519 176.519 177.254 -0.735 17716 6164 1 18 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.103 0.188 17716 6165 1 18 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.586 0.106 17716 6166 1 18 . 1 1 47 47 ARG H H 47 8.580 8.580 8.302 0.278 17716 6167 1 18 . 1 1 48 48 ASP N N 48 114.579 114.579 117.772 -3.193 17716 6168 1 18 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.540 0.169 17716 6169 1 18 . 1 1 48 48 ASP C C 48 176.519 176.519 176.866 -0.347 17716 6170 1 18 . 1 1 48 48 ASP CA C 48 53.443 53.443 53.884 -0.441 17716 6171 1 18 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.642 -0.210 17716 6172 1 18 . 1 1 48 48 ASP H H 48 7.884 7.884 8.126 -0.242 17716 6173 1 18 . 1 1 49 49 GLY N N 49 107.958 107.958 108.067 -0.109 17716 6174 1 18 . 1 1 49 49 GLY C C 49 174.547 174.547 174.218 0.329 17716 6175 1 18 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.398 -0.134 17716 6176 1 18 . 1 1 49 49 GLY H H 49 7.838 7.838 8.092 -0.254 17716 6177 1 18 . 1 1 50 50 THR N N 50 118.527 118.527 117.023 1.504 17716 6178 1 18 . 1 1 50 50 THR HA H 50 4.100 4.100 4.391 -0.291 17716 6179 1 18 . 1 1 50 50 THR C C 50 173.339 173.339 173.296 0.043 17716 6180 1 18 . 1 1 50 50 THR CA C 50 63.381 63.381 61.718 1.663 17716 6181 1 18 . 1 1 50 50 THR CB C 50 68.781 68.781 70.360 -1.579 17716 6182 1 18 . 1 1 50 50 THR H H 50 7.783 7.783 7.764 0.019 17716 6183 1 18 . 1 1 51 51 LYS N N 51 125.284 125.284 129.966 -4.682 17716 6184 1 18 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.581 0.490 17716 6185 1 18 . 1 1 51 51 LYS C C 51 176.137 176.137 176.148 -0.011 17716 6186 1 18 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.076 -0.989 17716 6187 1 18 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.732 0.592 17716 6188 1 18 . 1 1 51 51 LYS H H 51 8.569 8.569 8.692 -0.123 17716 6189 1 18 . 1 1 52 52 ILE N N 52 123.781 123.781 123.644 0.137 17716 6190 1 18 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.447 -0.275 17716 6191 1 18 . 1 1 52 52 ILE C C 52 174.730 174.730 174.803 -0.073 17716 6192 1 18 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.649 -0.090 17716 6193 1 18 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.437 1.416 17716 6194 1 18 . 1 1 52 52 ILE H H 52 8.887 8.887 9.106 -0.219 17716 6195 1 18 . 1 1 53 53 ILE N N 53 128.421 128.421 125.229 3.192 17716 6196 1 18 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.215 -0.134 17716 6197 1 18 . 1 1 53 53 ILE C C 53 176.412 176.412 175.800 0.612 17716 6198 1 18 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.266 0.210 17716 6199 1 18 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.416 -1.985 17716 6200 1 18 . 1 1 53 53 ILE H H 53 8.567 8.567 8.484 0.083 17716 6201 1 18 . 1 1 54 54 MET N N 54 126.582 126.582 126.504 0.078 17716 6202 1 18 . 1 1 54 54 MET HA H 54 4.282 4.282 4.376 -0.094 17716 6203 1 18 . 1 1 54 54 MET C C 54 174.547 174.547 175.497 -0.950 17716 6204 1 18 . 1 1 54 54 MET CA C 54 56.424 56.424 54.983 1.441 17716 6205 1 18 . 1 1 54 54 MET CB C 54 31.587 31.587 30.516 1.071 17716 6206 1 18 . 1 1 54 54 MET H H 54 8.886 8.886 8.831 0.055 17716 6207 1 18 . 1 1 55 55 LYS N N 55 106.838 106.838 127.363 -20.525 17716 6208 1 18 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.217 0.487 17716 6209 1 18 . 1 1 55 55 LYS C C 55 175.051 175.051 177.783 -2.732 17716 6210 1 18 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.590 -3.159 17716 6211 1 18 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.465 1.728 17716 6212 1 18 . 1 1 55 55 LYS H H 55 8.559 8.559 8.167 0.392 17716 6213 1 18 . 1 1 56 56 GLY N N 56 113.486 113.486 106.669 6.817 17716 6214 1 18 . 1 1 56 56 GLY C C 56 181.029 181.029 174.110 6.919 17716 6215 1 18 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.788 -0.327 17716 6216 1 18 . 1 1 56 56 GLY H H 56 9.317 9.317 8.551 0.766 17716 6217 1 18 . 1 1 57 57 ASN N N 57 112.557 112.557 119.120 -6.563 17716 6218 1 18 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.556 0.174 17716 6219 1 18 . 1 1 57 57 ASN C C 57 177.023 177.023 176.016 1.007 17716 6220 1 18 . 1 1 57 57 ASN CA C 57 53.978 53.978 53.993 -0.015 17716 6221 1 18 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.955 -1.682 17716 6222 1 18 . 1 1 57 57 ASN H H 57 8.732 8.732 8.254 0.478 17716 6223 1 18 . 1 1 58 58 GLU N N 58 123.440 123.440 120.568 2.872 17716 6224 1 18 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.614 -0.240 17716 6225 1 18 . 1 1 58 58 GLU C C 58 176.244 176.244 176.895 -0.651 17716 6226 1 18 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.550 -0.807 17716 6227 1 18 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.688 0.109 17716 6228 1 18 . 1 1 58 58 GLU H H 58 9.124 9.124 8.506 0.618 17716 6229 1 18 . 1 1 59 59 ILE N N 59 120.912 120.912 118.375 2.537 17716 6230 1 18 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.834 -0.207 17716 6231 1 18 . 1 1 59 59 ILE C C 59 177.360 177.360 177.009 0.351 17716 6232 1 18 . 1 1 59 59 ILE CA C 59 64.833 64.833 64.231 0.602 17716 6233 1 18 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.555 0.271 17716 6234 1 18 . 1 1 59 59 ILE H H 59 7.703 7.703 7.897 -0.194 17716 6235 1 18 . 1 1 60 60 PHE N N 60 119.669 119.669 120.248 -0.579 17716 6236 1 18 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.241 0.242 17716 6237 1 18 . 1 1 60 60 PHE C C 60 178.889 178.889 177.904 0.985 17716 6238 1 18 . 1 1 60 60 PHE CA C 60 60.514 60.514 61.240 -0.727 17716 6239 1 18 . 1 1 60 60 PHE CB C 60 38.063 38.063 37.883 0.180 17716 6240 1 18 . 1 1 60 60 PHE H H 60 7.934 7.934 7.988 -0.054 17716 6241 1 18 . 1 1 61 61 ARG N N 61 119.587 119.587 117.920 1.667 17716 6242 1 18 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.832 0.205 17716 6243 1 18 . 1 1 61 61 ARG C C 61 180.051 180.051 177.622 2.429 17716 6244 1 18 . 1 1 61 61 ARG CA C 61 58.832 58.832 57.827 1.005 17716 6245 1 18 . 1 1 61 61 ARG CB C 61 31.597 31.597 28.578 3.019 17716 6246 1 18 . 1 1 61 61 ARG H H 61 8.133 8.133 7.923 0.210 17716 6247 1 18 . 1 1 62 62 LEU N N 62 121.008 121.008 117.183 3.825 17716 6248 1 18 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.074 0.153 17716 6249 1 18 . 1 1 62 62 LEU CB C 62 41.236 41.236 41.872 -0.636 17716 6250 1 18 . 1 1 62 62 LEU H H 62 8.517 8.517 8.056 0.461 17716 6251 1 18 . 1 1 70 70 HIS C C 70 177.253 177.253 173.894 3.359 17716 6252 1 18 . 1 1 71 71 SER N N 71 121.301 121.301 119.524 1.777 17716 6253 1 18 . 1 1 71 71 SER C C 71 173.461 173.461 173.982 -0.521 17716 6254 1 18 . 1 1 71 71 SER CA C 71 58.259 58.259 57.924 0.335 17716 6255 1 18 . 1 1 71 71 SER H H 71 8.652 8.652 7.750 0.902 17716 6256 1 18 . 1 1 72 72 GLU N N 72 122.601 122.601 121.641 0.960 17716 6257 1 18 . 1 1 72 72 GLU C C 72 176.916 176.916 175.655 1.261 17716 6258 1 18 . 1 1 72 72 GLU CA C 72 54.781 54.781 57.172 -2.391 17716 6259 1 18 . 1 1 72 72 GLU CB C 72 30.008 30.008 28.312 1.696 17716 6260 1 18 . 1 1 72 72 GLU H H 72 8.705 8.705 8.354 0.351 17716 6261 1 18 . 1 1 73 73 GLY N N 73 110.370 110.370 109.613 0.757 17716 6262 1 18 . 1 1 73 73 GLY C C 73 173.736 173.736 174.469 -0.733 17716 6263 1 18 . 1 1 73 73 GLY CA C 73 45.264 45.264 44.911 0.353 17716 6264 1 18 . 1 1 73 73 GLY H H 73 8.441 8.441 8.530 -0.088 17716 6265 1 19 . 1 1 2 2 ASP N N 2 117.290 117.290 123.175 -5.885 17716 6266 1 19 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.722 0.316 17716 6267 1 19 . 1 1 2 2 ASP H H 2 8.582 8.582 8.572 0.010 17716 6268 1 19 . 1 1 3 3 MET N N 3 117.021 117.021 120.580 -3.559 17716 6269 1 19 . 1 1 3 3 MET CA C 3 58.045 58.045 57.126 0.919 17716 6270 1 19 . 1 1 3 3 MET H H 3 8.539 8.539 8.385 0.154 17716 6271 1 19 . 1 1 4 4 SER N N 4 121.274 121.274 112.879 8.395 17716 6272 1 19 . 1 1 4 4 SER C C 4 176.458 176.458 175.276 1.182 17716 6273 1 19 . 1 1 4 4 SER CA C 4 59.826 59.826 58.764 1.062 17716 6274 1 19 . 1 1 4 4 SER H H 4 8.699 8.699 8.234 0.465 17716 6275 1 19 . 1 1 5 5 ASN N N 5 115.377 115.377 119.739 -4.362 17716 6276 1 19 . 1 1 5 5 ASN CA C 5 53.214 53.214 54.775 -1.561 17716 6277 1 19 . 1 1 5 5 ASN H H 5 8.125 8.125 7.787 0.338 17716 6278 1 19 . 1 1 6 6 VAL N N 6 121.274 121.274 121.285 -0.011 17716 6279 1 19 . 1 1 6 6 VAL C C 6 175.755 175.755 175.629 0.126 17716 6280 1 19 . 1 1 6 6 VAL CA C 6 63.534 63.534 62.797 0.737 17716 6281 1 19 . 1 1 6 6 VAL H H 6 7.572 7.572 7.973 -0.401 17716 6282 1 19 . 1 1 7 7 VAL N N 7 125.259 125.259 123.244 2.015 17716 6283 1 19 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.332 -0.036 17716 6284 1 19 . 1 1 7 7 VAL C C 7 175.602 175.602 175.156 0.446 17716 6285 1 19 . 1 1 7 7 VAL CA C 7 63.725 63.725 60.336 3.389 17716 6286 1 19 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.944 -0.160 17716 6287 1 19 . 1 1 7 7 VAL H H 7 8.572 8.572 7.942 0.630 17716 6288 1 19 . 1 1 8 8 LYS N N 8 121.875 121.875 120.479 1.396 17716 6289 1 19 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.415 -0.077 17716 6290 1 19 . 1 1 8 8 LYS C C 8 172.743 172.743 175.305 -2.562 17716 6291 1 19 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.582 -0.075 17716 6292 1 19 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.938 2.238 17716 6293 1 19 . 1 1 8 8 LYS H H 8 7.437 7.437 8.575 -1.138 17716 6294 1 19 . 1 1 9 9 THR N N 9 121.187 121.187 116.849 4.338 17716 6295 1 19 . 1 1 9 9 THR HA H 9 5.106 5.106 5.041 0.065 17716 6296 1 19 . 1 1 9 9 THR C C 9 173.660 173.660 173.312 0.348 17716 6297 1 19 . 1 1 9 9 THR CA C 9 61.928 61.928 61.465 0.463 17716 6298 1 19 . 1 1 9 9 THR CB C 9 71.703 71.703 71.722 -0.019 17716 6299 1 19 . 1 1 9 9 THR H H 9 8.041 8.041 7.896 0.145 17716 6300 1 19 . 1 1 10 10 TYR N N 10 123.795 123.795 122.510 1.285 17716 6301 1 19 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.656 0.130 17716 6302 1 19 . 1 1 10 10 TYR C C 10 174.684 174.684 174.473 0.211 17716 6303 1 19 . 1 1 10 10 TYR CA C 10 56.348 56.348 57.301 -0.953 17716 6304 1 19 . 1 1 10 10 TYR CB C 10 40.274 40.274 41.122 -0.848 17716 6305 1 19 . 1 1 10 10 TYR H H 10 9.078 9.078 8.253 0.825 17716 6306 1 19 . 1 1 11 11 ASP N N 11 123.002 123.002 125.882 -2.880 17716 6307 1 19 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.514 0.241 17716 6308 1 19 . 1 1 11 11 ASP C C 11 176.137 176.137 175.632 0.505 17716 6309 1 19 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.546 -0.880 17716 6310 1 19 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.305 1.390 17716 6311 1 19 . 1 1 11 11 ASP H H 11 8.814 8.814 8.739 0.075 17716 6312 1 19 . 1 1 12 12 LEU N N 12 121.896 121.896 123.868 -1.972 17716 6313 1 19 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.438 0.369 17716 6314 1 19 . 1 1 12 12 LEU C C 12 179.072 179.072 178.563 0.509 17716 6315 1 19 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.252 -1.312 17716 6316 1 19 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.812 -1.828 17716 6317 1 19 . 1 1 12 12 LEU H H 12 8.606 8.606 8.107 0.499 17716 6318 1 19 . 1 1 13 13 GLN N N 13 119.615 119.615 121.923 -2.308 17716 6319 1 19 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.130 -0.153 17716 6320 1 19 . 1 1 13 13 GLN C C 13 175.923 175.923 176.405 -0.482 17716 6321 1 19 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.498 -0.011 17716 6322 1 19 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.869 -0.599 17716 6323 1 19 . 1 1 13 13 GLN H H 13 8.360 8.360 8.538 -0.178 17716 6324 1 19 . 1 1 14 14 ASP N N 14 115.289 115.289 115.805 -0.516 17716 6325 1 19 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.597 -0.110 17716 6326 1 19 . 1 1 14 14 ASP C C 14 177.161 177.161 177.022 0.139 17716 6327 1 19 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.108 0.297 17716 6328 1 19 . 1 1 14 14 ASP CB C 14 39.879 39.879 39.147 0.732 17716 6329 1 19 . 1 1 14 14 ASP H H 14 7.843 7.843 8.008 -0.165 17716 6330 1 19 . 1 1 15 15 GLY N N 15 107.917 107.917 107.196 0.721 17716 6331 1 19 . 1 1 15 15 GLY C C 15 174.333 174.333 174.880 -0.547 17716 6332 1 19 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.560 -0.372 17716 6333 1 19 . 1 1 15 15 GLY H H 15 7.799 7.799 7.498 0.301 17716 6334 1 19 . 1 1 16 16 SER N N 16 116.054 116.054 117.543 -1.489 17716 6335 1 19 . 1 1 16 16 SER HA H 16 4.405 4.405 4.540 -0.135 17716 6336 1 19 . 1 1 16 16 SER C C 16 172.146 172.146 172.970 -0.824 17716 6337 1 19 . 1 1 16 16 SER CA C 16 58.450 58.450 58.602 -0.152 17716 6338 1 19 . 1 1 16 16 SER CB C 16 64.517 64.517 64.597 -0.080 17716 6339 1 19 . 1 1 16 16 SER H H 16 7.927 7.927 8.744 -0.817 17716 6340 1 19 . 1 1 17 17 LYS N N 17 117.434 117.434 120.038 -2.604 17716 6341 1 19 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.024 0.159 17716 6342 1 19 . 1 1 17 17 LYS C C 17 175.724 175.724 175.564 0.160 17716 6343 1 19 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.359 -0.310 17716 6344 1 19 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.119 1.549 17716 6345 1 19 . 1 1 17 17 LYS H H 17 9.127 9.127 7.871 1.256 17716 6346 1 19 . 1 1 18 18 VAL N N 18 117.543 117.543 122.561 -5.018 17716 6347 1 19 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.814 0.201 17716 6348 1 19 . 1 1 18 18 VAL C C 18 183.445 183.445 175.381 8.064 17716 6349 1 19 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.924 -3.245 17716 6350 1 19 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.108 1.401 17716 6351 1 19 . 1 1 18 18 VAL H H 18 8.580 8.580 8.206 0.374 17716 6352 1 19 . 1 1 19 19 HIS N N 19 128.371 128.371 122.356 6.015 17716 6353 1 19 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.000 0.006 17716 6354 1 19 . 1 1 19 19 HIS C C 19 174.302 174.302 173.108 1.194 17716 6355 1 19 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.633 -0.043 17716 6356 1 19 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.617 0.470 17716 6357 1 19 . 1 1 19 19 HIS H H 19 8.901 8.901 8.869 0.032 17716 6358 1 19 . 1 1 20 20 VAL N N 20 123.150 123.150 122.701 0.449 17716 6359 1 19 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.593 -0.147 17716 6360 1 19 . 1 1 20 20 VAL C C 20 176.045 176.045 173.482 2.563 17716 6361 1 19 . 1 1 20 20 VAL CA C 20 61.508 61.508 59.250 2.258 17716 6362 1 19 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.620 -1.006 17716 6363 1 19 . 1 1 20 20 VAL H H 20 9.351 9.351 7.864 1.487 17716 6364 1 19 . 1 1 21 21 PHE N N 21 124.942 124.942 123.510 1.432 17716 6365 1 19 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.579 0.307 17716 6366 1 19 . 1 1 21 21 PHE C C 21 178.613 178.613 177.883 0.730 17716 6367 1 19 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.783 0.935 17716 6368 1 19 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.764 0.904 17716 6369 1 19 . 1 1 21 21 PHE H H 21 9.324 9.324 8.642 0.682 17716 6370 1 19 . 1 1 22 22 LYS N N 22 122.104 122.104 120.761 1.343 17716 6371 1 19 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.176 -0.237 17716 6372 1 19 . 1 1 22 22 LYS C C 22 175.969 175.969 176.689 -0.720 17716 6373 1 19 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.965 0.899 17716 6374 1 19 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.132 0.482 17716 6375 1 19 . 1 1 22 22 LYS H H 22 8.411 8.411 9.012 -0.601 17716 6376 1 19 . 1 1 23 23 ASP N N 23 114.797 114.797 117.309 -2.512 17716 6377 1 19 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.670 -0.181 17716 6378 1 19 . 1 1 23 23 ASP C C 23 176.794 176.794 177.031 -0.237 17716 6379 1 19 . 1 1 23 23 ASP CA C 23 53.405 53.405 54.000 -0.595 17716 6380 1 19 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.187 -0.545 17716 6381 1 19 . 1 1 23 23 ASP H H 23 8.006 8.006 8.207 -0.201 17716 6382 1 19 . 1 1 24 24 GLY N N 24 109.105 109.105 107.763 1.342 17716 6383 1 19 . 1 1 24 24 GLY C C 24 173.844 173.844 174.087 -0.243 17716 6384 1 19 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.528 -0.532 17716 6385 1 19 . 1 1 24 24 GLY H H 24 8.346 8.346 7.584 0.762 17716 6386 1 19 . 1 1 25 25 LYS N N 25 117.557 117.557 120.425 -2.868 17716 6387 1 19 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.326 0.028 17716 6388 1 19 . 1 1 25 25 LYS C C 25 175.862 175.862 176.525 -0.663 17716 6389 1 19 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.829 -0.651 17716 6390 1 19 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.070 0.570 17716 6391 1 19 . 1 1 25 25 LYS H H 25 7.584 7.584 7.856 -0.272 17716 6392 1 19 . 1 1 26 26 MET N N 26 116.628 116.628 120.383 -3.755 17716 6393 1 19 . 1 1 26 26 MET HA H 26 5.995 5.995 4.629 1.366 17716 6394 1 19 . 1 1 26 26 MET C C 26 175.724 175.724 176.390 -0.666 17716 6395 1 19 . 1 1 26 26 MET CA C 26 55.469 55.469 56.040 -0.571 17716 6396 1 19 . 1 1 26 26 MET CB C 26 36.562 36.562 35.121 1.441 17716 6397 1 19 . 1 1 26 26 MET H H 26 8.599 8.599 8.740 -0.141 17716 6398 1 19 . 1 1 27 27 GLY N N 27 104.570 104.570 105.721 -1.151 17716 6399 1 19 . 1 1 27 27 GLY C C 27 183.552 183.552 172.753 10.799 17716 6400 1 19 . 1 1 27 27 GLY CA C 27 44.461 44.461 45.017 -0.556 17716 6401 1 19 . 1 1 27 27 GLY H H 27 9.063 9.063 8.286 0.777 17716 6402 1 19 . 1 1 28 28 MET N N 28 119.860 119.860 125.020 -5.160 17716 6403 1 19 . 1 1 28 28 MET HA H 28 5.302 5.302 4.697 0.605 17716 6404 1 19 . 1 1 28 28 MET C C 28 173.431 173.431 174.289 -0.858 17716 6405 1 19 . 1 1 28 28 MET CA C 28 52.106 52.106 53.715 -1.609 17716 6406 1 19 . 1 1 28 28 MET CB C 28 31.508 31.508 32.678 -1.171 17716 6407 1 19 . 1 1 28 28 MET H H 28 8.751 8.751 8.936 -0.185 17716 6408 1 19 . 1 1 29 29 GLU N N 29 123.440 123.440 124.761 -1.321 17716 6409 1 19 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.709 0.298 17716 6410 1 19 . 1 1 29 29 GLU C C 29 175.479 175.479 175.708 -0.229 17716 6411 1 19 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.071 0.028 17716 6412 1 19 . 1 1 29 29 GLU CB C 29 34.430 34.430 29.898 4.532 17716 6413 1 19 . 1 1 29 29 GLU H H 29 8.904 8.904 7.987 0.917 17716 6414 1 19 . 1 1 30 30 ASN N N 30 123.219 123.219 123.665 -0.446 17716 6415 1 19 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.689 -0.066 17716 6416 1 19 . 1 1 30 30 ASN C C 30 176.886 176.886 176.564 0.322 17716 6417 1 19 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.818 -1.400 17716 6418 1 19 . 1 1 30 30 ASN CB C 30 39.168 39.168 40.295 -1.127 17716 6419 1 19 . 1 1 30 30 ASN H H 30 9.339 9.339 8.333 1.006 17716 6420 1 19 . 1 1 31 31 LYS N N 31 116.491 116.491 121.189 -4.698 17716 6421 1 19 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.160 -0.218 17716 6422 1 19 . 1 1 31 31 LYS C C 31 175.663 175.663 176.282 -0.619 17716 6423 1 19 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.826 0.280 17716 6424 1 19 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.286 0.143 17716 6425 1 19 . 1 1 31 31 LYS H H 31 8.512 8.512 8.723 -0.211 17716 6426 1 19 . 1 1 32 32 PHE N N 32 117.885 117.885 119.791 -1.906 17716 6427 1 19 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.447 0.308 17716 6428 1 19 . 1 1 32 32 PHE C C 32 176.060 176.060 175.695 0.365 17716 6429 1 19 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.443 -0.866 17716 6430 1 19 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.267 0.586 17716 6431 1 19 . 1 1 32 32 PHE H H 32 7.507 7.507 7.759 -0.252 17716 6432 1 19 . 1 1 33 33 GLY N N 33 108.245 108.245 106.489 1.756 17716 6433 1 19 . 1 1 33 33 GLY C C 33 173.828 173.828 174.111 -0.283 17716 6434 1 19 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.449 0.197 17716 6435 1 19 . 1 1 33 33 GLY H H 33 8.062 8.062 7.628 0.434 17716 6436 1 19 . 1 1 34 34 LYS N N 34 117.724 117.724 117.788 -0.064 17716 6437 1 19 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.690 -0.048 17716 6438 1 19 . 1 1 34 34 LYS C C 34 175.862 175.862 174.811 1.051 17716 6439 1 19 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.031 -0.970 17716 6440 1 19 . 1 1 34 34 LYS CB C 34 34.193 34.193 36.060 -1.867 17716 6441 1 19 . 1 1 34 34 LYS H H 34 7.561 7.561 7.607 -0.046 17716 6442 1 19 . 1 1 35 35 SER N N 35 117.079 117.079 114.431 2.648 17716 6443 1 19 . 1 1 35 35 SER HA H 35 5.001 5.001 4.954 0.047 17716 6444 1 19 . 1 1 35 35 SER C C 35 174.210 174.210 174.002 0.208 17716 6445 1 19 . 1 1 35 35 SER CA C 35 57.953 57.953 57.047 0.906 17716 6446 1 19 . 1 1 35 35 SER CB C 35 64.043 64.043 64.777 -0.734 17716 6447 1 19 . 1 1 35 35 SER H H 35 8.588 8.588 8.325 0.263 17716 6448 1 19 . 1 1 36 36 MET N N 36 117.966 117.966 121.028 -3.062 17716 6449 1 19 . 1 1 36 36 MET HA H 36 4.765 4.765 4.659 0.106 17716 6450 1 19 . 1 1 36 36 MET C C 36 173.461 173.461 174.426 -0.965 17716 6451 1 19 . 1 1 36 36 MET CA C 36 54.055 54.055 54.068 -0.013 17716 6452 1 19 . 1 1 36 36 MET CB C 36 36.009 36.009 35.642 0.367 17716 6453 1 19 . 1 1 36 36 MET H H 36 8.044 8.044 8.110 -0.066 17716 6454 1 19 . 1 1 37 37 ASN N N 37 122.101 122.101 124.636 -2.535 17716 6455 1 19 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.556 0.139 17716 6456 1 19 . 1 1 37 37 ASN C C 37 175.770 175.770 174.634 1.136 17716 6457 1 19 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.466 0.551 17716 6458 1 19 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.492 2.491 17716 6459 1 19 . 1 1 37 37 ASN H H 37 8.753 8.753 8.637 0.116 17716 6460 1 19 . 1 1 38 38 MET N N 38 122.627 122.627 127.127 -4.500 17716 6461 1 19 . 1 1 38 38 MET HA H 38 4.623 4.623 4.934 -0.311 17716 6462 1 19 . 1 1 38 38 MET CA C 38 54.093 54.093 52.632 1.461 17716 6463 1 19 . 1 1 38 38 MET CB C 38 38.708 38.708 33.599 5.109 17716 6464 1 19 . 1 1 38 38 MET H H 38 8.133 8.133 8.056 0.077 17716 6465 1 19 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.189 0.091 17716 6466 1 19 . 1 1 39 39 PRO C C 39 175.831 175.831 176.463 -0.632 17716 6467 1 19 . 1 1 39 39 PRO CA C 39 62.654 62.654 63.357 -0.703 17716 6468 1 19 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.307 0.149 17716 6469 1 19 . 1 1 40 40 GLU N N 40 120.437 120.437 123.120 -2.683 17716 6470 1 19 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.321 -0.625 17716 6471 1 19 . 1 1 40 40 GLU C C 40 177.757 177.757 176.935 0.822 17716 6472 1 19 . 1 1 40 40 GLU CA C 40 57.800 57.800 56.355 1.445 17716 6473 1 19 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.733 1.275 17716 6474 1 19 . 1 1 40 40 GLU H H 40 8.322 8.322 8.734 -0.412 17716 6475 1 19 . 1 1 41 41 GLY N N 41 112.092 112.092 113.739 -1.647 17716 6476 1 19 . 1 1 41 41 GLY C C 41 173.935 173.935 174.291 -0.356 17716 6477 1 19 . 1 1 41 41 GLY CA C 41 44.805 44.805 45.228 -0.423 17716 6478 1 19 . 1 1 41 41 GLY H H 41 9.188 9.188 8.335 0.853 17716 6479 1 19 . 1 1 42 42 LYS N N 42 120.325 120.325 124.214 -3.889 17716 6480 1 19 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.270 -0.022 17716 6481 1 19 . 1 1 42 42 LYS C C 42 175.755 175.755 176.759 -1.004 17716 6482 1 19 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.772 -0.074 17716 6483 1 19 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.188 1.663 17716 6484 1 19 . 1 1 42 42 LYS H H 42 6.967 6.967 7.672 -0.705 17716 6485 1 19 . 1 1 43 43 VAL N N 43 124.724 124.724 123.266 1.458 17716 6486 1 19 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.691 0.286 17716 6487 1 19 . 1 1 43 43 VAL C C 43 175.770 175.770 176.011 -0.241 17716 6488 1 19 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.296 -0.686 17716 6489 1 19 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.227 0.756 17716 6490 1 19 . 1 1 43 43 VAL H H 43 8.572 8.572 8.351 0.221 17716 6491 1 19 . 1 1 44 44 MET N N 44 127.278 127.278 127.246 0.032 17716 6492 1 19 . 1 1 44 44 MET HA H 44 4.545 4.545 4.793 -0.248 17716 6493 1 19 . 1 1 44 44 MET C C 44 173.522 173.522 174.730 -1.208 17716 6494 1 19 . 1 1 44 44 MET CA C 44 53.558 53.558 54.556 -0.998 17716 6495 1 19 . 1 1 44 44 MET CB C 44 34.351 34.351 35.047 -0.696 17716 6496 1 19 . 1 1 44 44 MET H H 44 8.963 8.963 8.660 0.303 17716 6497 1 19 . 1 1 45 45 GLU N N 45 122.374 122.374 123.900 -1.526 17716 6498 1 19 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.117 -0.008 17716 6499 1 19 . 1 1 45 45 GLU C C 45 176.320 176.320 176.483 -0.163 17716 6500 1 19 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.671 1.072 17716 6501 1 19 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.342 -0.359 17716 6502 1 19 . 1 1 45 45 GLU H H 45 8.668 8.668 8.774 -0.106 17716 6503 1 19 . 1 1 46 46 THR N N 46 116.696 116.696 117.521 -0.825 17716 6504 1 19 . 1 1 46 46 THR HA H 46 4.757 4.757 5.057 -0.300 17716 6505 1 19 . 1 1 46 46 THR C C 46 176.657 176.657 177.074 -0.417 17716 6506 1 19 . 1 1 46 46 THR CA C 46 61.317 61.317 61.128 0.189 17716 6507 1 19 . 1 1 46 46 THR CB C 46 70.203 70.203 70.945 -0.742 17716 6508 1 19 . 1 1 46 46 THR H H 46 9.083 9.083 8.220 0.863 17716 6509 1 19 . 1 1 47 47 ARG N N 47 119.546 119.546 122.606 -3.060 17716 6510 1 19 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.029 -0.013 17716 6511 1 19 . 1 1 47 47 ARG C C 47 176.519 176.519 177.334 -0.815 17716 6512 1 19 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.130 0.161 17716 6513 1 19 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.727 -0.035 17716 6514 1 19 . 1 1 47 47 ARG H H 47 8.580 8.580 8.585 -0.005 17716 6515 1 19 . 1 1 48 48 ASP N N 48 114.579 114.579 116.910 -2.331 17716 6516 1 19 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.557 0.152 17716 6517 1 19 . 1 1 48 48 ASP C C 48 176.519 176.519 176.785 -0.266 17716 6518 1 19 . 1 1 48 48 ASP CA C 48 53.443 53.443 53.825 -0.383 17716 6519 1 19 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.443 -0.011 17716 6520 1 19 . 1 1 48 48 ASP H H 48 7.884 7.884 8.156 -0.272 17716 6521 1 19 . 1 1 49 49 GLY N N 49 107.958 107.958 108.582 -0.624 17716 6522 1 19 . 1 1 49 49 GLY C C 49 174.547 174.547 174.749 -0.202 17716 6523 1 19 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.293 -0.029 17716 6524 1 19 . 1 1 49 49 GLY H H 49 7.838 7.838 8.163 -0.325 17716 6525 1 19 . 1 1 50 50 THR N N 50 118.527 118.527 117.872 0.655 17716 6526 1 19 . 1 1 50 50 THR HA H 50 4.100 4.100 4.347 -0.247 17716 6527 1 19 . 1 1 50 50 THR C C 50 173.339 173.339 173.961 -0.622 17716 6528 1 19 . 1 1 50 50 THR CA C 50 63.381 63.381 62.462 0.920 17716 6529 1 19 . 1 1 50 50 THR CB C 50 68.781 68.781 69.064 -0.283 17716 6530 1 19 . 1 1 50 50 THR H H 50 7.783 7.783 8.360 -0.577 17716 6531 1 19 . 1 1 51 51 LYS N N 51 125.284 125.284 130.423 -5.139 17716 6532 1 19 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.339 0.732 17716 6533 1 19 . 1 1 51 51 LYS C C 51 176.137 176.137 176.082 0.055 17716 6534 1 19 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.536 -1.449 17716 6535 1 19 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.432 0.892 17716 6536 1 19 . 1 1 51 51 LYS H H 51 8.569 8.569 8.674 -0.105 17716 6537 1 19 . 1 1 52 52 ILE N N 52 123.781 123.781 123.801 -0.020 17716 6538 1 19 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.471 -0.299 17716 6539 1 19 . 1 1 52 52 ILE C C 52 174.730 174.730 174.544 0.186 17716 6540 1 19 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.625 -0.066 17716 6541 1 19 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.191 1.663 17716 6542 1 19 . 1 1 52 52 ILE H H 52 8.887 8.887 8.644 0.243 17716 6543 1 19 . 1 1 53 53 ILE N N 53 128.421 128.421 125.899 2.522 17716 6544 1 19 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.276 -0.195 17716 6545 1 19 . 1 1 53 53 ILE C C 53 176.412 176.412 175.617 0.795 17716 6546 1 19 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.398 0.078 17716 6547 1 19 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.679 -2.248 17716 6548 1 19 . 1 1 53 53 ILE H H 53 8.567 8.567 8.530 0.037 17716 6549 1 19 . 1 1 54 54 MET N N 54 126.582 126.582 127.550 -0.968 17716 6550 1 19 . 1 1 54 54 MET HA H 54 4.282 4.282 4.243 0.039 17716 6551 1 19 . 1 1 54 54 MET C C 54 174.547 174.547 175.443 -0.896 17716 6552 1 19 . 1 1 54 54 MET CA C 54 56.424 56.424 55.505 0.919 17716 6553 1 19 . 1 1 54 54 MET CB C 54 31.587 31.587 30.294 1.293 17716 6554 1 19 . 1 1 54 54 MET H H 54 8.886 8.886 8.852 0.034 17716 6555 1 19 . 1 1 55 55 LYS N N 55 106.838 106.838 126.715 -19.877 17716 6556 1 19 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.176 0.528 17716 6557 1 19 . 1 1 55 55 LYS C C 55 175.051 175.051 178.381 -3.330 17716 6558 1 19 . 1 1 55 55 LYS CA C 55 55.431 55.431 59.197 -3.766 17716 6559 1 19 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.543 1.650 17716 6560 1 19 . 1 1 55 55 LYS H H 55 8.559 8.559 8.549 0.010 17716 6561 1 19 . 1 1 56 56 GLY N N 56 113.486 113.486 107.416 6.070 17716 6562 1 19 . 1 1 56 56 GLY C C 56 181.029 181.029 174.208 6.821 17716 6563 1 19 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.598 -0.137 17716 6564 1 19 . 1 1 56 56 GLY H H 56 9.317 9.317 8.631 0.686 17716 6565 1 19 . 1 1 57 57 ASN N N 57 112.557 112.557 118.521 -5.964 17716 6566 1 19 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.472 0.258 17716 6567 1 19 . 1 1 57 57 ASN C C 57 177.023 177.023 175.695 1.328 17716 6568 1 19 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.567 -0.589 17716 6569 1 19 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.955 -1.682 17716 6570 1 19 . 1 1 57 57 ASN H H 57 8.732 8.732 8.417 0.315 17716 6571 1 19 . 1 1 58 58 GLU N N 58 123.440 123.440 119.882 3.558 17716 6572 1 19 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.508 -0.134 17716 6573 1 19 . 1 1 58 58 GLU C C 58 176.244 176.244 177.341 -1.097 17716 6574 1 19 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.600 -0.857 17716 6575 1 19 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.927 -0.130 17716 6576 1 19 . 1 1 58 58 GLU H H 58 9.124 9.124 8.318 0.806 17716 6577 1 19 . 1 1 59 59 ILE N N 59 120.912 120.912 118.905 2.007 17716 6578 1 19 . 1 1 59 59 ILE HA H 59 3.627 3.627 4.001 -0.374 17716 6579 1 19 . 1 1 59 59 ILE C C 59 177.360 177.360 176.607 0.753 17716 6580 1 19 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.407 1.426 17716 6581 1 19 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.879 -0.053 17716 6582 1 19 . 1 1 59 59 ILE H H 59 7.703 7.703 7.832 -0.129 17716 6583 1 19 . 1 1 60 60 PHE N N 60 119.669 119.669 119.921 -0.252 17716 6584 1 19 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.712 -0.229 17716 6585 1 19 . 1 1 60 60 PHE C C 60 178.889 178.889 177.223 1.666 17716 6586 1 19 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.844 -0.331 17716 6587 1 19 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.363 -0.300 17716 6588 1 19 . 1 1 60 60 PHE H H 60 7.934 7.934 8.073 -0.139 17716 6589 1 19 . 1 1 61 61 ARG N N 61 119.587 119.587 118.085 1.502 17716 6590 1 19 . 1 1 61 61 ARG HA H 61 4.037 4.037 4.013 0.024 17716 6591 1 19 . 1 1 61 61 ARG C C 61 180.051 180.051 178.477 1.574 17716 6592 1 19 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.309 0.523 17716 6593 1 19 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.134 2.463 17716 6594 1 19 . 1 1 61 61 ARG H H 61 8.133 8.133 7.665 0.468 17716 6595 1 19 . 1 1 62 62 LEU N N 62 121.008 121.008 120.265 0.743 17716 6596 1 19 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.539 -0.312 17716 6597 1 19 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.108 -0.872 17716 6598 1 19 . 1 1 62 62 LEU H H 62 8.517 8.517 7.800 0.717 17716 6599 1 19 . 1 1 70 70 HIS C C 70 177.253 177.253 173.412 3.841 17716 6600 1 19 . 1 1 71 71 SER N N 71 121.301 121.301 115.866 5.435 17716 6601 1 19 . 1 1 71 71 SER C C 71 173.461 173.461 174.682 -1.221 17716 6602 1 19 . 1 1 71 71 SER CA C 71 58.259 58.259 57.755 0.504 17716 6603 1 19 . 1 1 71 71 SER H H 71 8.652 8.652 7.841 0.811 17716 6604 1 19 . 1 1 72 72 GLU N N 72 122.601 122.601 121.477 1.124 17716 6605 1 19 . 1 1 72 72 GLU C C 72 176.916 176.916 176.892 0.024 17716 6606 1 19 . 1 1 72 72 GLU CA C 72 54.781 54.781 57.715 -2.933 17716 6607 1 19 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.914 0.094 17716 6608 1 19 . 1 1 72 72 GLU H H 72 8.705 8.705 8.680 0.025 17716 6609 1 19 . 1 1 73 73 GLY N N 73 110.370 110.370 106.724 3.646 17716 6610 1 19 . 1 1 73 73 GLY C C 73 173.736 173.736 173.215 0.521 17716 6611 1 19 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.018 0.246 17716 6612 1 19 . 1 1 73 73 GLY H H 73 8.441 8.441 7.723 0.718 17716 6613 1 20 . 1 1 2 2 ASP N N 2 117.290 117.290 123.175 -5.885 17716 6614 1 20 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.722 0.316 17716 6615 1 20 . 1 1 2 2 ASP H H 2 8.582 8.582 8.572 0.010 17716 6616 1 20 . 1 1 3 3 MET N N 3 117.021 117.021 120.580 -3.559 17716 6617 1 20 . 1 1 3 3 MET CA C 3 58.045 58.045 57.126 0.919 17716 6618 1 20 . 1 1 3 3 MET H H 3 8.539 8.539 8.385 0.154 17716 6619 1 20 . 1 1 4 4 SER N N 4 121.274 121.274 112.879 8.395 17716 6620 1 20 . 1 1 4 4 SER C C 4 176.458 176.458 175.276 1.182 17716 6621 1 20 . 1 1 4 4 SER CA C 4 59.826 59.826 58.764 1.062 17716 6622 1 20 . 1 1 4 4 SER H H 4 8.699 8.699 8.234 0.465 17716 6623 1 20 . 1 1 5 5 ASN N N 5 115.377 115.377 119.739 -4.362 17716 6624 1 20 . 1 1 5 5 ASN CA C 5 53.214 53.214 54.775 -1.561 17716 6625 1 20 . 1 1 5 5 ASN H H 5 8.125 8.125 7.787 0.338 17716 6626 1 20 . 1 1 6 6 VAL N N 6 121.274 121.274 121.285 -0.011 17716 6627 1 20 . 1 1 6 6 VAL C C 6 175.755 175.755 175.629 0.126 17716 6628 1 20 . 1 1 6 6 VAL CA C 6 63.534 63.534 62.797 0.737 17716 6629 1 20 . 1 1 6 6 VAL H H 6 7.572 7.572 7.973 -0.401 17716 6630 1 20 . 1 1 7 7 VAL N N 7 125.259 125.259 123.244 2.015 17716 6631 1 20 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.332 -0.036 17716 6632 1 20 . 1 1 7 7 VAL C C 7 175.602 175.602 175.156 0.446 17716 6633 1 20 . 1 1 7 7 VAL CA C 7 63.725 63.725 60.336 3.389 17716 6634 1 20 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.944 -0.160 17716 6635 1 20 . 1 1 7 7 VAL H H 7 8.572 8.572 7.942 0.630 17716 6636 1 20 . 1 1 8 8 LYS N N 8 121.875 121.875 120.479 1.396 17716 6637 1 20 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.415 -0.077 17716 6638 1 20 . 1 1 8 8 LYS C C 8 172.743 172.743 175.305 -2.562 17716 6639 1 20 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.582 -0.075 17716 6640 1 20 . 1 1 8 8 LYS CB C 8 36.176 36.176 33.938 2.238 17716 6641 1 20 . 1 1 8 8 LYS H H 8 7.437 7.437 8.575 -1.138 17716 6642 1 20 . 1 1 9 9 THR N N 9 121.187 121.187 116.849 4.338 17716 6643 1 20 . 1 1 9 9 THR HA H 9 5.106 5.106 5.041 0.065 17716 6644 1 20 . 1 1 9 9 THR C C 9 173.660 173.660 173.312 0.348 17716 6645 1 20 . 1 1 9 9 THR CA C 9 61.928 61.928 61.465 0.463 17716 6646 1 20 . 1 1 9 9 THR CB C 9 71.703 71.703 71.722 -0.019 17716 6647 1 20 . 1 1 9 9 THR H H 9 8.041 8.041 7.896 0.145 17716 6648 1 20 . 1 1 10 10 TYR N N 10 123.795 123.795 122.510 1.285 17716 6649 1 20 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.656 0.130 17716 6650 1 20 . 1 1 10 10 TYR C C 10 174.684 174.684 174.473 0.211 17716 6651 1 20 . 1 1 10 10 TYR CA C 10 56.348 56.348 57.301 -0.953 17716 6652 1 20 . 1 1 10 10 TYR CB C 10 40.274 40.274 41.122 -0.848 17716 6653 1 20 . 1 1 10 10 TYR H H 10 9.078 9.078 8.253 0.825 17716 6654 1 20 . 1 1 11 11 ASP N N 11 123.002 123.002 125.882 -2.880 17716 6655 1 20 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.514 0.241 17716 6656 1 20 . 1 1 11 11 ASP C C 11 176.137 176.137 175.632 0.505 17716 6657 1 20 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.546 -0.880 17716 6658 1 20 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.305 1.390 17716 6659 1 20 . 1 1 11 11 ASP H H 11 8.814 8.814 8.739 0.075 17716 6660 1 20 . 1 1 12 12 LEU N N 12 121.896 121.896 123.868 -1.972 17716 6661 1 20 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.438 0.369 17716 6662 1 20 . 1 1 12 12 LEU C C 12 179.072 179.072 178.563 0.509 17716 6663 1 20 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.252 -1.312 17716 6664 1 20 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.812 -1.828 17716 6665 1 20 . 1 1 12 12 LEU H H 12 8.606 8.606 8.107 0.499 17716 6666 1 20 . 1 1 13 13 GLN N N 13 119.615 119.615 121.923 -2.308 17716 6667 1 20 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.130 -0.153 17716 6668 1 20 . 1 1 13 13 GLN C C 13 175.923 175.923 176.405 -0.482 17716 6669 1 20 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.498 -0.011 17716 6670 1 20 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.869 -0.599 17716 6671 1 20 . 1 1 13 13 GLN H H 13 8.360 8.360 8.538 -0.178 17716 6672 1 20 . 1 1 14 14 ASP N N 14 115.289 115.289 115.805 -0.516 17716 6673 1 20 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.597 -0.110 17716 6674 1 20 . 1 1 14 14 ASP C C 14 177.161 177.161 177.022 0.139 17716 6675 1 20 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.108 0.297 17716 6676 1 20 . 1 1 14 14 ASP CB C 14 39.879 39.879 39.147 0.732 17716 6677 1 20 . 1 1 14 14 ASP H H 14 7.843 7.843 8.008 -0.165 17716 6678 1 20 . 1 1 15 15 GLY N N 15 107.917 107.917 107.196 0.721 17716 6679 1 20 . 1 1 15 15 GLY C C 15 174.333 174.333 174.880 -0.547 17716 6680 1 20 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.560 -0.372 17716 6681 1 20 . 1 1 15 15 GLY H H 15 7.799 7.799 7.498 0.301 17716 6682 1 20 . 1 1 16 16 SER N N 16 116.054 116.054 117.543 -1.489 17716 6683 1 20 . 1 1 16 16 SER HA H 16 4.405 4.405 4.540 -0.135 17716 6684 1 20 . 1 1 16 16 SER C C 16 172.146 172.146 172.970 -0.824 17716 6685 1 20 . 1 1 16 16 SER CA C 16 58.450 58.450 58.602 -0.152 17716 6686 1 20 . 1 1 16 16 SER CB C 16 64.517 64.517 64.597 -0.080 17716 6687 1 20 . 1 1 16 16 SER H H 16 7.927 7.927 8.744 -0.817 17716 6688 1 20 . 1 1 17 17 LYS N N 17 117.434 117.434 120.038 -2.604 17716 6689 1 20 . 1 1 17 17 LYS HA H 17 5.183 5.183 5.024 0.159 17716 6690 1 20 . 1 1 17 17 LYS C C 17 175.724 175.724 175.564 0.160 17716 6691 1 20 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.359 -0.310 17716 6692 1 20 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.119 1.549 17716 6693 1 20 . 1 1 17 17 LYS H H 17 9.127 9.127 7.871 1.256 17716 6694 1 20 . 1 1 18 18 VAL N N 18 117.543 117.543 122.561 -5.018 17716 6695 1 20 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.814 0.201 17716 6696 1 20 . 1 1 18 18 VAL C C 18 183.445 183.445 175.381 8.064 17716 6697 1 20 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.924 -3.245 17716 6698 1 20 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.108 1.401 17716 6699 1 20 . 1 1 18 18 VAL H H 18 8.580 8.580 8.206 0.374 17716 6700 1 20 . 1 1 19 19 HIS N N 19 128.371 128.371 122.356 6.015 17716 6701 1 20 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.000 0.006 17716 6702 1 20 . 1 1 19 19 HIS C C 19 174.302 174.302 173.108 1.194 17716 6703 1 20 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.633 -0.043 17716 6704 1 20 . 1 1 19 19 HIS CB C 19 33.087 33.087 32.617 0.470 17716 6705 1 20 . 1 1 19 19 HIS H H 19 8.901 8.901 8.869 0.032 17716 6706 1 20 . 1 1 20 20 VAL N N 20 123.150 123.150 122.701 0.449 17716 6707 1 20 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.593 -0.147 17716 6708 1 20 . 1 1 20 20 VAL C C 20 176.045 176.045 173.482 2.563 17716 6709 1 20 . 1 1 20 20 VAL CA C 20 61.508 61.508 59.250 2.258 17716 6710 1 20 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.620 -1.006 17716 6711 1 20 . 1 1 20 20 VAL H H 20 9.351 9.351 7.864 1.487 17716 6712 1 20 . 1 1 21 21 PHE N N 21 124.942 124.942 123.511 1.431 17716 6713 1 20 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.579 0.307 17716 6714 1 20 . 1 1 21 21 PHE C C 21 178.613 178.613 177.883 0.730 17716 6715 1 20 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.783 0.935 17716 6716 1 20 . 1 1 21 21 PHE CB C 21 40.669 40.669 39.764 0.905 17716 6717 1 20 . 1 1 21 21 PHE H H 21 9.324 9.324 8.642 0.682 17716 6718 1 20 . 1 1 22 22 LYS N N 22 122.104 122.104 120.761 1.343 17716 6719 1 20 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.176 -0.237 17716 6720 1 20 . 1 1 22 22 LYS C C 22 175.969 175.969 176.689 -0.720 17716 6721 1 20 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.965 0.899 17716 6722 1 20 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.132 0.482 17716 6723 1 20 . 1 1 22 22 LYS H H 22 8.411 8.411 9.012 -0.601 17716 6724 1 20 . 1 1 23 23 ASP N N 23 114.797 114.797 117.309 -2.512 17716 6725 1 20 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.670 -0.181 17716 6726 1 20 . 1 1 23 23 ASP C C 23 176.794 176.794 177.031 -0.237 17716 6727 1 20 . 1 1 23 23 ASP CA C 23 53.405 53.405 54.000 -0.595 17716 6728 1 20 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.187 -0.545 17716 6729 1 20 . 1 1 23 23 ASP H H 23 8.006 8.006 8.207 -0.201 17716 6730 1 20 . 1 1 24 24 GLY N N 24 109.105 109.105 107.763 1.342 17716 6731 1 20 . 1 1 24 24 GLY C C 24 173.844 173.844 174.087 -0.243 17716 6732 1 20 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.528 -0.532 17716 6733 1 20 . 1 1 24 24 GLY H H 24 8.346 8.346 7.584 0.762 17716 6734 1 20 . 1 1 25 25 LYS N N 25 117.557 117.557 120.425 -2.868 17716 6735 1 20 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.326 0.028 17716 6736 1 20 . 1 1 25 25 LYS C C 25 175.862 175.862 176.525 -0.663 17716 6737 1 20 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.829 -0.651 17716 6738 1 20 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.070 0.570 17716 6739 1 20 . 1 1 25 25 LYS H H 25 7.584 7.584 7.856 -0.272 17716 6740 1 20 . 1 1 26 26 MET N N 26 116.628 116.628 120.383 -3.755 17716 6741 1 20 . 1 1 26 26 MET HA H 26 5.995 5.995 4.629 1.366 17716 6742 1 20 . 1 1 26 26 MET C C 26 175.724 175.724 176.390 -0.666 17716 6743 1 20 . 1 1 26 26 MET CA C 26 55.469 55.469 56.040 -0.571 17716 6744 1 20 . 1 1 26 26 MET CB C 26 36.562 36.562 35.121 1.441 17716 6745 1 20 . 1 1 26 26 MET H H 26 8.599 8.599 8.740 -0.141 17716 6746 1 20 . 1 1 27 27 GLY N N 27 104.570 104.570 105.721 -1.151 17716 6747 1 20 . 1 1 27 27 GLY C C 27 183.552 183.552 172.753 10.799 17716 6748 1 20 . 1 1 27 27 GLY CA C 27 44.461 44.461 45.017 -0.556 17716 6749 1 20 . 1 1 27 27 GLY H H 27 9.063 9.063 8.286 0.777 17716 6750 1 20 . 1 1 28 28 MET N N 28 119.860 119.860 125.020 -5.160 17716 6751 1 20 . 1 1 28 28 MET HA H 28 5.302 5.302 4.697 0.605 17716 6752 1 20 . 1 1 28 28 MET C C 28 173.431 173.431 174.289 -0.858 17716 6753 1 20 . 1 1 28 28 MET CA C 28 52.106 52.106 53.715 -1.609 17716 6754 1 20 . 1 1 28 28 MET CB C 28 31.508 31.508 32.678 -1.171 17716 6755 1 20 . 1 1 28 28 MET H H 28 8.751 8.751 8.936 -0.185 17716 6756 1 20 . 1 1 29 29 GLU N N 29 123.440 123.440 124.761 -1.321 17716 6757 1 20 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.709 0.298 17716 6758 1 20 . 1 1 29 29 GLU C C 29 175.479 175.479 175.708 -0.229 17716 6759 1 20 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.071 0.028 17716 6760 1 20 . 1 1 29 29 GLU CB C 29 34.430 34.430 29.898 4.532 17716 6761 1 20 . 1 1 29 29 GLU H H 29 8.904 8.904 7.987 0.917 17716 6762 1 20 . 1 1 30 30 ASN N N 30 123.219 123.219 123.665 -0.446 17716 6763 1 20 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.689 -0.066 17716 6764 1 20 . 1 1 30 30 ASN C C 30 176.886 176.886 176.564 0.322 17716 6765 1 20 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.818 -1.400 17716 6766 1 20 . 1 1 30 30 ASN CB C 30 39.168 39.168 40.295 -1.127 17716 6767 1 20 . 1 1 30 30 ASN H H 30 9.339 9.339 8.333 1.006 17716 6768 1 20 . 1 1 31 31 LYS N N 31 116.491 116.491 121.189 -4.698 17716 6769 1 20 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.160 -0.218 17716 6770 1 20 . 1 1 31 31 LYS C C 31 175.663 175.663 176.282 -0.619 17716 6771 1 20 . 1 1 31 31 LYS CA C 31 58.106 58.106 57.826 0.280 17716 6772 1 20 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.286 0.143 17716 6773 1 20 . 1 1 31 31 LYS H H 31 8.512 8.512 8.723 -0.211 17716 6774 1 20 . 1 1 32 32 PHE N N 32 117.885 117.885 119.791 -1.906 17716 6775 1 20 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.447 0.308 17716 6776 1 20 . 1 1 32 32 PHE C C 32 176.060 176.060 175.695 0.365 17716 6777 1 20 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.443 -0.866 17716 6778 1 20 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.267 0.586 17716 6779 1 20 . 1 1 32 32 PHE H H 32 7.507 7.507 7.759 -0.252 17716 6780 1 20 . 1 1 33 33 GLY N N 33 108.245 108.245 106.489 1.756 17716 6781 1 20 . 1 1 33 33 GLY C C 33 173.828 173.828 174.111 -0.283 17716 6782 1 20 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.449 0.197 17716 6783 1 20 . 1 1 33 33 GLY H H 33 8.062 8.062 7.628 0.434 17716 6784 1 20 . 1 1 34 34 LYS N N 34 117.724 117.724 117.788 -0.064 17716 6785 1 20 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.690 -0.048 17716 6786 1 20 . 1 1 34 34 LYS C C 34 175.862 175.862 174.811 1.051 17716 6787 1 20 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.031 -0.970 17716 6788 1 20 . 1 1 34 34 LYS CB C 34 34.193 34.193 36.060 -1.867 17716 6789 1 20 . 1 1 34 34 LYS H H 34 7.561 7.561 7.607 -0.046 17716 6790 1 20 . 1 1 35 35 SER N N 35 117.079 117.079 114.431 2.648 17716 6791 1 20 . 1 1 35 35 SER HA H 35 5.001 5.001 4.954 0.047 17716 6792 1 20 . 1 1 35 35 SER C C 35 174.210 174.210 174.002 0.208 17716 6793 1 20 . 1 1 35 35 SER CA C 35 57.953 57.953 57.047 0.906 17716 6794 1 20 . 1 1 35 35 SER CB C 35 64.043 64.043 64.777 -0.734 17716 6795 1 20 . 1 1 35 35 SER H H 35 8.588 8.588 8.325 0.263 17716 6796 1 20 . 1 1 36 36 MET N N 36 117.966 117.966 121.028 -3.062 17716 6797 1 20 . 1 1 36 36 MET HA H 36 4.765 4.765 4.659 0.106 17716 6798 1 20 . 1 1 36 36 MET C C 36 173.461 173.461 174.426 -0.965 17716 6799 1 20 . 1 1 36 36 MET CA C 36 54.055 54.055 54.068 -0.013 17716 6800 1 20 . 1 1 36 36 MET CB C 36 36.009 36.009 35.642 0.367 17716 6801 1 20 . 1 1 36 36 MET H H 36 8.044 8.044 8.110 -0.066 17716 6802 1 20 . 1 1 37 37 ASN N N 37 122.101 122.101 124.636 -2.535 17716 6803 1 20 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.556 0.139 17716 6804 1 20 . 1 1 37 37 ASN C C 37 175.770 175.770 174.634 1.136 17716 6805 1 20 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.466 0.551 17716 6806 1 20 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.492 2.491 17716 6807 1 20 . 1 1 37 37 ASN H H 37 8.753 8.753 8.637 0.116 17716 6808 1 20 . 1 1 38 38 MET N N 38 122.627 122.627 127.127 -4.500 17716 6809 1 20 . 1 1 38 38 MET HA H 38 4.623 4.623 4.934 -0.311 17716 6810 1 20 . 1 1 38 38 MET CA C 38 54.093 54.093 52.632 1.461 17716 6811 1 20 . 1 1 38 38 MET CB C 38 38.708 38.708 33.599 5.109 17716 6812 1 20 . 1 1 38 38 MET H H 38 8.133 8.133 8.056 0.077 17716 6813 1 20 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.189 0.091 17716 6814 1 20 . 1 1 39 39 PRO C C 39 175.831 175.831 176.463 -0.632 17716 6815 1 20 . 1 1 39 39 PRO CA C 39 62.654 62.654 63.357 -0.703 17716 6816 1 20 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.307 0.149 17716 6817 1 20 . 1 1 40 40 GLU N N 40 120.437 120.437 123.120 -2.683 17716 6818 1 20 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.321 -0.625 17716 6819 1 20 . 1 1 40 40 GLU C C 40 177.757 177.757 176.935 0.822 17716 6820 1 20 . 1 1 40 40 GLU CA C 40 57.800 57.800 56.355 1.445 17716 6821 1 20 . 1 1 40 40 GLU CB C 40 30.008 30.008 28.733 1.275 17716 6822 1 20 . 1 1 40 40 GLU H H 40 8.322 8.322 8.734 -0.412 17716 6823 1 20 . 1 1 41 41 GLY N N 41 112.092 112.092 113.739 -1.647 17716 6824 1 20 . 1 1 41 41 GLY C C 41 173.935 173.935 174.291 -0.356 17716 6825 1 20 . 1 1 41 41 GLY CA C 41 44.805 44.805 45.228 -0.423 17716 6826 1 20 . 1 1 41 41 GLY H H 41 9.188 9.188 8.335 0.853 17716 6827 1 20 . 1 1 42 42 LYS N N 42 120.325 120.325 124.214 -3.889 17716 6828 1 20 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.270 -0.022 17716 6829 1 20 . 1 1 42 42 LYS C C 42 175.755 175.755 176.759 -1.004 17716 6830 1 20 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.772 -0.074 17716 6831 1 20 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.188 1.663 17716 6832 1 20 . 1 1 42 42 LYS H H 42 6.967 6.967 7.672 -0.705 17716 6833 1 20 . 1 1 43 43 VAL N N 43 124.724 124.724 123.266 1.458 17716 6834 1 20 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.691 0.286 17716 6835 1 20 . 1 1 43 43 VAL C C 43 175.770 175.770 176.011 -0.241 17716 6836 1 20 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.296 -0.686 17716 6837 1 20 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.227 0.756 17716 6838 1 20 . 1 1 43 43 VAL H H 43 8.572 8.572 8.351 0.221 17716 6839 1 20 . 1 1 44 44 MET N N 44 127.278 127.278 127.245 0.033 17716 6840 1 20 . 1 1 44 44 MET HA H 44 4.545 4.545 4.794 -0.249 17716 6841 1 20 . 1 1 44 44 MET C C 44 173.522 173.522 174.730 -1.208 17716 6842 1 20 . 1 1 44 44 MET CA C 44 53.558 53.558 54.556 -0.998 17716 6843 1 20 . 1 1 44 44 MET CB C 44 34.351 34.351 35.046 -0.695 17716 6844 1 20 . 1 1 44 44 MET H H 44 8.963 8.963 8.659 0.304 17716 6845 1 20 . 1 1 45 45 GLU N N 45 122.374 122.374 123.900 -1.526 17716 6846 1 20 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.117 -0.008 17716 6847 1 20 . 1 1 45 45 GLU C C 45 176.320 176.320 176.484 -0.164 17716 6848 1 20 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.671 1.072 17716 6849 1 20 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.341 -0.359 17716 6850 1 20 . 1 1 45 45 GLU H H 45 8.668 8.668 8.774 -0.106 17716 6851 1 20 . 1 1 46 46 THR N N 46 116.696 116.696 117.521 -0.825 17716 6852 1 20 . 1 1 46 46 THR HA H 46 4.757 4.757 5.057 -0.300 17716 6853 1 20 . 1 1 46 46 THR C C 46 176.657 176.657 177.074 -0.417 17716 6854 1 20 . 1 1 46 46 THR CA C 46 61.317 61.317 61.128 0.189 17716 6855 1 20 . 1 1 46 46 THR CB C 46 70.203 70.203 70.945 -0.742 17716 6856 1 20 . 1 1 46 46 THR H H 46 9.083 9.083 8.220 0.863 17716 6857 1 20 . 1 1 47 47 ARG N N 47 119.546 119.546 122.606 -3.060 17716 6858 1 20 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.029 -0.013 17716 6859 1 20 . 1 1 47 47 ARG C C 47 176.519 176.519 177.334 -0.815 17716 6860 1 20 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.130 0.161 17716 6861 1 20 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.727 -0.035 17716 6862 1 20 . 1 1 47 47 ARG H H 47 8.580 8.580 8.585 -0.005 17716 6863 1 20 . 1 1 48 48 ASP N N 48 114.579 114.579 116.910 -2.331 17716 6864 1 20 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.557 0.152 17716 6865 1 20 . 1 1 48 48 ASP C C 48 176.519 176.519 176.785 -0.266 17716 6866 1 20 . 1 1 48 48 ASP CA C 48 53.443 53.443 53.825 -0.383 17716 6867 1 20 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.443 -0.011 17716 6868 1 20 . 1 1 48 48 ASP H H 48 7.884 7.884 8.156 -0.272 17716 6869 1 20 . 1 1 49 49 GLY N N 49 107.958 107.958 108.582 -0.624 17716 6870 1 20 . 1 1 49 49 GLY C C 49 174.547 174.547 174.749 -0.202 17716 6871 1 20 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.293 -0.029 17716 6872 1 20 . 1 1 49 49 GLY H H 49 7.838 7.838 8.163 -0.325 17716 6873 1 20 . 1 1 50 50 THR N N 50 118.527 118.527 117.872 0.655 17716 6874 1 20 . 1 1 50 50 THR HA H 50 4.100 4.100 4.347 -0.247 17716 6875 1 20 . 1 1 50 50 THR C C 50 173.339 173.339 173.961 -0.622 17716 6876 1 20 . 1 1 50 50 THR CA C 50 63.381 63.381 62.462 0.919 17716 6877 1 20 . 1 1 50 50 THR CB C 50 68.781 68.781 69.064 -0.283 17716 6878 1 20 . 1 1 50 50 THR H H 50 7.783 7.783 8.360 -0.577 17716 6879 1 20 . 1 1 51 51 LYS N N 51 125.284 125.284 130.423 -5.139 17716 6880 1 20 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.339 0.732 17716 6881 1 20 . 1 1 51 51 LYS C C 51 176.137 176.137 176.082 0.055 17716 6882 1 20 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.536 -1.449 17716 6883 1 20 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.432 0.892 17716 6884 1 20 . 1 1 51 51 LYS H H 51 8.569 8.569 8.674 -0.105 17716 6885 1 20 . 1 1 52 52 ILE N N 52 123.781 123.781 123.801 -0.020 17716 6886 1 20 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.471 -0.299 17716 6887 1 20 . 1 1 52 52 ILE C C 52 174.730 174.730 174.544 0.186 17716 6888 1 20 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.625 -0.066 17716 6889 1 20 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.191 1.663 17716 6890 1 20 . 1 1 52 52 ILE H H 52 8.887 8.887 8.644 0.243 17716 6891 1 20 . 1 1 53 53 ILE N N 53 128.421 128.421 125.899 2.522 17716 6892 1 20 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.276 -0.195 17716 6893 1 20 . 1 1 53 53 ILE C C 53 176.412 176.412 175.617 0.795 17716 6894 1 20 . 1 1 53 53 ILE CA C 53 60.476 60.476 60.398 0.078 17716 6895 1 20 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.679 -2.248 17716 6896 1 20 . 1 1 53 53 ILE H H 53 8.567 8.567 8.530 0.037 17716 6897 1 20 . 1 1 54 54 MET N N 54 126.582 126.582 127.550 -0.968 17716 6898 1 20 . 1 1 54 54 MET HA H 54 4.282 4.282 4.243 0.039 17716 6899 1 20 . 1 1 54 54 MET C C 54 174.547 174.547 175.443 -0.896 17716 6900 1 20 . 1 1 54 54 MET CA C 54 56.424 56.424 55.505 0.919 17716 6901 1 20 . 1 1 54 54 MET CB C 54 31.587 31.587 30.294 1.293 17716 6902 1 20 . 1 1 54 54 MET H H 54 8.886 8.886 8.852 0.034 17716 6903 1 20 . 1 1 55 55 LYS N N 55 106.838 106.838 126.715 -19.877 17716 6904 1 20 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.176 0.528 17716 6905 1 20 . 1 1 55 55 LYS C C 55 175.051 175.051 178.381 -3.330 17716 6906 1 20 . 1 1 55 55 LYS CA C 55 55.431 55.431 59.197 -3.766 17716 6907 1 20 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.543 1.650 17716 6908 1 20 . 1 1 55 55 LYS H H 55 8.559 8.559 8.549 0.010 17716 6909 1 20 . 1 1 56 56 GLY N N 56 113.486 113.486 107.416 6.070 17716 6910 1 20 . 1 1 56 56 GLY C C 56 181.029 181.029 174.208 6.821 17716 6911 1 20 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.598 -0.137 17716 6912 1 20 . 1 1 56 56 GLY H H 56 9.317 9.317 8.631 0.686 17716 6913 1 20 . 1 1 57 57 ASN N N 57 112.557 112.557 118.521 -5.964 17716 6914 1 20 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.472 0.258 17716 6915 1 20 . 1 1 57 57 ASN C C 57 177.023 177.023 175.695 1.328 17716 6916 1 20 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.567 -0.589 17716 6917 1 20 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.955 -1.682 17716 6918 1 20 . 1 1 57 57 ASN H H 57 8.732 8.732 8.417 0.315 17716 6919 1 20 . 1 1 58 58 GLU N N 58 123.440 123.440 119.882 3.558 17716 6920 1 20 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.508 -0.134 17716 6921 1 20 . 1 1 58 58 GLU C C 58 176.244 176.244 177.341 -1.097 17716 6922 1 20 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.600 -0.857 17716 6923 1 20 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.927 -0.130 17716 6924 1 20 . 1 1 58 58 GLU H H 58 9.124 9.124 8.318 0.806 17716 6925 1 20 . 1 1 59 59 ILE N N 59 120.912 120.912 118.905 2.007 17716 6926 1 20 . 1 1 59 59 ILE HA H 59 3.627 3.627 4.001 -0.374 17716 6927 1 20 . 1 1 59 59 ILE C C 59 177.360 177.360 176.607 0.753 17716 6928 1 20 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.407 1.426 17716 6929 1 20 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.879 -0.053 17716 6930 1 20 . 1 1 59 59 ILE H H 59 7.703 7.703 7.832 -0.129 17716 6931 1 20 . 1 1 60 60 PHE N N 60 119.669 119.669 119.921 -0.252 17716 6932 1 20 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.712 -0.229 17716 6933 1 20 . 1 1 60 60 PHE C C 60 178.889 178.889 177.223 1.666 17716 6934 1 20 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.844 -0.331 17716 6935 1 20 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.363 -0.300 17716 6936 1 20 . 1 1 60 60 PHE H H 60 7.934 7.934 8.073 -0.139 17716 6937 1 20 . 1 1 61 61 ARG N N 61 119.587 119.587 118.085 1.502 17716 6938 1 20 . 1 1 61 61 ARG HA H 61 4.037 4.037 4.013 0.024 17716 6939 1 20 . 1 1 61 61 ARG C C 61 180.051 180.051 178.477 1.574 17716 6940 1 20 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.309 0.523 17716 6941 1 20 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.134 2.463 17716 6942 1 20 . 1 1 61 61 ARG H H 61 8.133 8.133 7.665 0.468 17716 6943 1 20 . 1 1 62 62 LEU N N 62 121.008 121.008 120.265 0.743 17716 6944 1 20 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.539 -0.312 17716 6945 1 20 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.108 -0.872 17716 6946 1 20 . 1 1 62 62 LEU H H 62 8.517 8.517 7.800 0.717 17716 6947 1 20 . 1 1 70 70 HIS C C 70 177.253 177.253 173.412 3.841 17716 6948 1 20 . 1 1 71 71 SER N N 71 121.301 121.301 115.866 5.435 17716 6949 1 20 . 1 1 71 71 SER C C 71 173.461 173.461 174.682 -1.221 17716 6950 1 20 . 1 1 71 71 SER CA C 71 58.259 58.259 57.755 0.504 17716 6951 1 20 . 1 1 71 71 SER H H 71 8.652 8.652 7.841 0.811 17716 6952 1 20 . 1 1 72 72 GLU N N 72 122.601 122.601 121.477 1.124 17716 6953 1 20 . 1 1 72 72 GLU C C 72 176.916 176.916 176.892 0.024 17716 6954 1 20 . 1 1 72 72 GLU CA C 72 54.781 54.781 57.715 -2.933 17716 6955 1 20 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.914 0.094 17716 6956 1 20 . 1 1 72 72 GLU H H 72 8.705 8.705 8.680 0.025 17716 6957 1 20 . 1 1 73 73 GLY N N 73 110.370 110.370 106.724 3.646 17716 6958 1 20 . 1 1 73 73 GLY C C 73 173.736 173.736 173.215 0.521 17716 6959 1 20 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.018 0.246 17716 6960 1 20 . 1 1 73 73 GLY H H 73 8.441 8.441 7.723 0.718 17716 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 63 4.135 1.067 4.027 17716 2 1 1 "Average Difference" HA 64 0.417 -0.102 0.408 17716 3 1 1 "Average Difference" C 60 2.187 -0.448 2.159 17716 4 1 1 "Average Difference" CA 64 1.115 0.111 1.119 17716 5 1 1 "Average Difference" CB 50 1.377 -0.361 1.343 17716 6 1 1 "Average Difference" HN 63 0.569 -0.179 0.545 17716 7 1 2 "Average Difference" N 63 4.073 1.108 3.951 17716 8 1 2 "Average Difference" HA 64 0.406 -0.099 0.396 17716 9 1 2 "Average Difference" C 60 2.249 -0.537 2.202 17716 10 1 2 "Average Difference" CA 64 1.037 0.214 1.023 17716 11 1 2 "Average Difference" CB 50 1.344 -0.274 1.329 17716 12 1 2 "Average Difference" HN 63 0.552 -0.149 0.536 17716 13 1 3 "Average Difference" N 63 4.159 0.816 4.111 17716 14 1 3 "Average Difference" HA 64 0.405 -0.099 0.396 17716 15 1 3 "Average Difference" C 60 2.189 -0.459 2.158 17716 16 1 3 "Average Difference" CA 64 0.985 0.208 0.970 17716 17 1 3 "Average Difference" CB 50 1.453 -0.415 1.406 17716 18 1 3 "Average Difference" HN 63 0.513 -0.191 0.479 17716 19 1 4 "Average Difference" N 63 3.986 0.666 3.961 17716 20 1 4 "Average Difference" HA 64 0.394 -0.102 0.384 17716 21 1 4 "Average Difference" C 60 2.255 -0.408 2.237 17716 22 1 4 "Average Difference" CA 64 1.117 0.122 1.119 17716 23 1 4 "Average Difference" CB 50 1.477 -0.502 1.403 17716 24 1 4 "Average Difference" HN 63 0.518 -0.198 0.482 17716 25 1 5 "Average Difference" N 63 4.349 0.982 4.271 17716 26 1 5 "Average Difference" HA 64 0.389 -0.111 0.376 17716 27 1 5 "Average Difference" C 60 2.208 -0.447 2.181 17716 28 1 5 "Average Difference" CA 64 1.183 0.178 1.179 17716 29 1 5 "Average Difference" CB 50 1.389 -0.488 1.313 17716 30 1 5 "Average Difference" HN 63 0.564 -0.209 0.528 17716 31 1 6 "Average Difference" N 63 4.060 1.205 3.908 17716 32 1 6 "Average Difference" HA 64 0.425 -0.092 0.418 17716 33 1 6 "Average Difference" C 60 2.280 -0.369 2.269 17716 34 1 6 "Average Difference" CA 64 1.103 0.119 1.105 17716 35 1 6 "Average Difference" CB 50 1.390 -0.354 1.358 17716 36 1 6 "Average Difference" HN 63 0.550 -0.207 0.513 17716 37 1 7 "Average Difference" N 63 3.971 0.821 3.917 17716 38 1 7 "Average Difference" HA 64 0.404 -0.090 0.397 17716 39 1 7 "Average Difference" C 60 2.209 -0.472 2.176 17716 40 1 7 "Average Difference" CA 64 1.173 0.195 1.166 17716 41 1 7 "Average Difference" CB 50 1.483 -0.238 1.479 17716 42 1 7 "Average Difference" HN 63 0.523 -0.160 0.501 17716 43 1 8 "Average Difference" N 63 4.153 1.054 4.049 17716 44 1 8 "Average Difference" HA 64 0.410 -0.122 0.395 17716 45 1 8 "Average Difference" C 60 2.241 -0.492 2.205 17716 46 1 8 "Average Difference" CA 64 1.084 0.215 1.071 17716 47 1 8 "Average Difference" CB 50 1.426 -0.350 1.397 17716 48 1 8 "Average Difference" HN 63 0.554 -0.216 0.514 17716 49 1 9 "Average Difference" N 63 3.956 0.751 3.916 17716 50 1 9 "Average Difference" HA 64 0.383 -0.107 0.371 17716 51 1 9 "Average Difference" C 60 2.194 -0.480 2.159 17716 52 1 9 "Average Difference" CA 64 1.068 0.154 1.065 17716 53 1 9 "Average Difference" CB 50 1.280 -0.334 1.248 17716 54 1 9 "Average Difference" HN 63 0.482 -0.145 0.464 17716 55 1 10 "Average Difference" N 63 3.917 0.928 3.836 17716 56 1 10 "Average Difference" HA 64 0.401 -0.091 0.394 17716 57 1 10 "Average Difference" C 60 2.232 -0.505 2.192 17716 58 1 10 "Average Difference" CA 64 1.152 0.145 1.152 17716 59 1 10 "Average Difference" CB 50 1.369 -0.373 1.331 17716 60 1 10 "Average Difference" HN 63 0.516 -0.188 0.484 17716 61 1 11 "Average Difference" N 63 4.190 0.927 4.119 17716 62 1 11 "Average Difference" HA 64 0.398 -0.119 0.383 17716 63 1 11 "Average Difference" C 60 2.225 -0.443 2.199 17716 64 1 11 "Average Difference" CA 64 1.135 0.172 1.130 17716 65 1 11 "Average Difference" CB 50 1.347 -0.333 1.319 17716 66 1 11 "Average Difference" HN 63 0.489 -0.174 0.461 17716 67 1 12 "Average Difference" N 63 3.918 0.813 3.863 17716 68 1 12 "Average Difference" HA 64 0.396 -0.087 0.390 17716 69 1 12 "Average Difference" C 60 2.222 -0.299 2.221 17716 70 1 12 "Average Difference" CA 64 1.102 0.141 1.102 17716 71 1 12 "Average Difference" CB 50 1.289 -0.456 1.218 17716 72 1 12 "Average Difference" HN 63 0.559 -0.179 0.534 17716 73 1 13 "Average Difference" N 63 3.955 1.126 3.822 17716 74 1 13 "Average Difference" HA 64 0.387 -0.086 0.381 17716 75 1 13 "Average Difference" C 60 2.227 -0.441 2.201 17716 76 1 13 "Average Difference" CA 64 1.052 0.119 1.053 17716 77 1 13 "Average Difference" CB 50 1.358 -0.344 1.327 17716 78 1 13 "Average Difference" HN 63 0.548 -0.213 0.509 17716 79 1 14 "Average Difference" N 63 4.429 0.957 4.359 17716 80 1 14 "Average Difference" HA 64 0.395 -0.114 0.381 17716 81 1 14 "Average Difference" C 60 2.263 -0.390 2.248 17716 82 1 14 "Average Difference" CA 64 1.050 0.140 1.049 17716 83 1 14 "Average Difference" CB 50 1.488 -0.420 1.442 17716 84 1 14 "Average Difference" HN 63 0.522 -0.162 0.500 17716 85 1 15 "Average Difference" N 63 4.193 1.111 4.076 17716 86 1 15 "Average Difference" HA 64 0.398 -0.101 0.388 17716 87 1 15 "Average Difference" C 60 2.252 -0.468 2.222 17716 88 1 15 "Average Difference" CA 64 1.134 0.106 1.138 17716 89 1 15 "Average Difference" CB 50 1.430 -0.449 1.372 17716 90 1 15 "Average Difference" HN 63 0.508 -0.194 0.473 17716 91 1 16 "Average Difference" N 63 4.161 1.022 4.066 17716 92 1 16 "Average Difference" HA 64 0.403 -0.094 0.394 17716 93 1 16 "Average Difference" C 60 2.211 -0.457 2.182 17716 94 1 16 "Average Difference" CA 64 1.045 0.134 1.044 17716 95 1 16 "Average Difference" CB 50 1.343 -0.402 1.295 17716 96 1 16 "Average Difference" HN 63 0.591 -0.194 0.563 17716 97 1 17 "Average Difference" N 63 3.953 0.720 3.918 17716 98 1 17 "Average Difference" HA 64 0.421 -0.108 0.410 17716 99 1 17 "Average Difference" C 60 2.189 -0.415 2.167 17716 100 1 17 "Average Difference" CA 64 1.059 0.076 1.065 17716 101 1 17 "Average Difference" CB 50 1.152 -0.259 1.134 17716 102 1 17 "Average Difference" HN 63 0.530 -0.173 0.505 17716 103 1 18 "Average Difference" N 63 4.149 0.886 4.086 17716 104 1 18 "Average Difference" HA 64 0.395 -0.100 0.385 17716 105 1 18 "Average Difference" C 60 2.208 -0.510 2.166 17716 106 1 18 "Average Difference" CA 64 1.057 0.106 1.060 17716 107 1 18 "Average Difference" CB 50 1.466 -0.493 1.395 17716 108 1 18 "Average Difference" HN 63 0.529 -0.196 0.496 17716 109 1 19 "Average Difference" N 63 3.982 0.817 3.928 17716 110 1 19 "Average Difference" HA 64 0.391 -0.083 0.385 17716 111 1 19 "Average Difference" C 60 2.222 -0.435 2.197 17716 112 1 19 "Average Difference" CA 64 1.154 0.129 1.156 17716 113 1 19 "Average Difference" CB 50 1.485 -0.378 1.451 17716 114 1 19 "Average Difference" HN 63 0.540 -0.179 0.514 17716 115 1 20 "Average Difference" N 63 3.982 0.817 3.928 17716 116 1 20 "Average Difference" HA 64 0.391 -0.083 0.385 17716 117 1 20 "Average Difference" C 60 2.222 -0.435 2.197 17716 118 1 20 "Average Difference" CA 64 1.154 0.129 1.156 17716 119 1 20 "Average Difference" CB 50 1.485 -0.378 1.451 17716 120 1 20 "Average Difference" HN 63 0.540 -0.179 0.514 17716 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 17716 _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 ASP N N 2 117.290 117.290 121.952 -4.662 17716 2 1 . 1 1 2 2 ASP CA C 2 55.038 55.038 54.446 0.591 17716 3 1 . 1 1 2 2 ASP H H 2 8.582 8.582 8.227 0.355 17716 4 1 . 1 1 3 3 MET N N 3 117.021 117.021 119.337 -2.316 17716 5 1 . 1 1 3 3 MET CA C 3 58.045 58.045 57.558 0.487 17716 6 1 . 1 1 3 3 MET H H 3 8.539 8.539 8.277 0.262 17716 7 1 . 1 1 4 4 SER N N 4 121.274 121.274 113.995 7.279 17716 8 1 . 1 1 4 4 SER C C 4 176.458 176.458 174.630 1.828 17716 9 1 . 1 1 4 4 SER CA C 4 59.826 59.826 59.618 0.208 17716 10 1 . 1 1 4 4 SER H H 4 8.699 8.699 8.170 0.529 17716 11 1 . 1 1 5 5 ASN N N 5 115.377 115.377 117.951 -2.574 17716 12 1 . 1 1 5 5 ASN CA C 5 53.214 53.214 53.748 -0.534 17716 13 1 . 1 1 5 5 ASN H H 5 8.125 8.125 7.891 0.234 17716 14 1 . 1 1 6 6 VAL N N 6 121.274 121.274 119.916 1.358 17716 15 1 . 1 1 6 6 VAL C C 6 175.755 175.755 175.717 0.038 17716 16 1 . 1 1 6 6 VAL CA C 6 63.534 63.534 62.638 0.896 17716 17 1 . 1 1 6 6 VAL H H 6 7.572 7.572 7.991 -0.419 17716 18 1 . 1 1 7 7 VAL N N 7 125.259 125.259 122.703 2.556 17716 19 1 . 1 1 7 7 VAL HA H 7 4.296 4.296 4.165 0.131 17716 20 1 . 1 1 7 7 VAL C C 7 175.602 175.602 174.916 0.686 17716 21 1 . 1 1 7 7 VAL CA C 7 63.725 63.725 61.861 1.864 17716 22 1 . 1 1 7 7 VAL CB C 7 32.784 32.784 32.995 -0.211 17716 23 1 . 1 1 7 7 VAL H H 7 8.572 8.572 8.197 0.375 17716 24 1 . 1 1 8 8 LYS N N 8 121.875 121.875 122.528 -0.653 17716 25 1 . 1 1 8 8 LYS HA H 8 4.338 4.338 4.408 -0.070 17716 26 1 . 1 1 8 8 LYS C C 8 172.743 172.743 174.645 -1.902 17716 27 1 . 1 1 8 8 LYS CA C 8 55.507 55.507 55.892 -0.385 17716 28 1 . 1 1 8 8 LYS CB C 8 36.176 36.176 34.317 1.859 17716 29 1 . 1 1 8 8 LYS H H 8 7.437 7.437 8.315 -0.878 17716 30 1 . 1 1 9 9 THR N N 9 121.187 121.187 118.867 2.320 17716 31 1 . 1 1 9 9 THR HA H 9 5.106 5.106 4.893 0.213 17716 32 1 . 1 1 9 9 THR C C 9 173.660 173.660 173.124 0.536 17716 33 1 . 1 1 9 9 THR CA C 9 61.928 61.928 61.475 0.453 17716 34 1 . 1 1 9 9 THR CB C 9 71.703 71.703 70.670 1.033 17716 35 1 . 1 1 9 9 THR H H 9 8.041 8.041 7.922 0.119 17716 36 1 . 1 1 10 10 TYR N N 10 123.795 123.795 124.648 -0.853 17716 37 1 . 1 1 10 10 TYR HA H 10 4.786 4.786 4.632 0.154 17716 38 1 . 1 1 10 10 TYR C C 10 174.684 174.684 174.777 -0.093 17716 39 1 . 1 1 10 10 TYR CA C 10 56.348 56.348 56.647 -0.299 17716 40 1 . 1 1 10 10 TYR CB C 10 40.274 40.274 39.765 0.509 17716 41 1 . 1 1 10 10 TYR H H 10 9.078 9.078 8.182 0.896 17716 42 1 . 1 1 11 11 ASP N N 11 123.002 123.002 126.033 -3.031 17716 43 1 . 1 1 11 11 ASP HA H 11 4.755 4.755 4.574 0.181 17716 44 1 . 1 1 11 11 ASP C C 11 176.137 176.137 175.595 0.542 17716 45 1 . 1 1 11 11 ASP CA C 11 54.666 54.666 55.118 -0.452 17716 46 1 . 1 1 11 11 ASP CB C 11 41.695 41.695 40.430 1.265 17716 47 1 . 1 1 11 11 ASP H H 11 8.814 8.814 8.865 -0.051 17716 48 1 . 1 1 12 12 LEU N N 12 121.896 121.896 123.741 -1.845 17716 49 1 . 1 1 12 12 LEU HA H 12 4.807 4.807 4.352 0.455 17716 50 1 . 1 1 12 12 LEU C C 12 179.072 179.072 178.427 0.645 17716 51 1 . 1 1 12 12 LEU CA C 12 53.940 53.940 55.553 -1.613 17716 52 1 . 1 1 12 12 LEU CB C 12 40.984 40.984 42.770 -1.786 17716 53 1 . 1 1 12 12 LEU H H 12 8.606 8.606 8.050 0.556 17716 54 1 . 1 1 13 13 GLN N N 13 119.615 119.615 121.622 -2.007 17716 55 1 . 1 1 13 13 GLN HA H 13 3.977 3.977 4.161 -0.184 17716 56 1 . 1 1 13 13 GLN C C 13 175.923 175.923 176.565 -0.642 17716 57 1 . 1 1 13 13 GLN CA C 13 58.488 58.488 58.230 0.257 17716 58 1 . 1 1 13 13 GLN CB C 13 28.270 28.270 28.750 -0.480 17716 59 1 . 1 1 13 13 GLN H H 13 8.360 8.360 8.527 -0.167 17716 60 1 . 1 1 14 14 ASP N N 14 115.289 115.289 117.737 -2.449 17716 61 1 . 1 1 14 14 ASP HA H 14 4.487 4.487 4.657 -0.170 17716 62 1 . 1 1 14 14 ASP C C 14 177.161 177.161 176.789 0.372 17716 63 1 . 1 1 14 14 ASP CA C 14 53.405 53.405 53.709 -0.304 17716 64 1 . 1 1 14 14 ASP CB C 14 39.879 39.879 40.119 -0.240 17716 65 1 . 1 1 14 14 ASP H H 14 7.843 7.843 8.172 -0.329 17716 66 1 . 1 1 15 15 GLY N N 15 107.917 107.917 106.984 0.933 17716 67 1 . 1 1 15 15 GLY C C 15 174.333 174.333 174.298 0.035 17716 68 1 . 1 1 15 15 GLY CA C 15 45.188 45.188 45.656 -0.468 17716 69 1 . 1 1 15 15 GLY H H 15 7.799 7.799 7.705 0.094 17716 70 1 . 1 1 16 16 SER N N 16 116.054 116.054 116.285 -0.230 17716 71 1 . 1 1 16 16 SER HA H 16 4.405 4.405 4.539 -0.134 17716 72 1 . 1 1 16 16 SER C C 16 172.146 172.146 173.285 -1.139 17716 73 1 . 1 1 16 16 SER CA C 16 58.450 58.450 58.429 0.021 17716 74 1 . 1 1 16 16 SER CB C 16 64.517 64.517 64.488 0.029 17716 75 1 . 1 1 16 16 SER H H 16 7.927 7.927 7.832 0.095 17716 76 1 . 1 1 17 17 LYS N N 17 117.434 117.434 119.248 -1.814 17716 77 1 . 1 1 17 17 LYS HA H 17 5.183 5.183 4.994 0.189 17716 78 1 . 1 1 17 17 LYS C C 17 175.724 175.724 175.360 0.364 17716 79 1 . 1 1 17 17 LYS CA C 17 55.049 55.049 55.613 -0.564 17716 80 1 . 1 1 17 17 LYS CB C 17 37.668 37.668 36.159 1.509 17716 81 1 . 1 1 17 17 LYS H H 17 9.127 9.127 7.920 1.207 17716 82 1 . 1 1 18 18 VAL N N 18 117.543 117.543 122.464 -4.921 17716 83 1 . 1 1 18 18 VAL HA H 18 5.015 5.015 4.769 0.246 17716 84 1 . 1 1 18 18 VAL C C 18 183.445 183.445 175.345 8.100 17716 85 1 . 1 1 18 18 VAL CA C 18 58.679 58.679 61.286 -2.607 17716 86 1 . 1 1 18 18 VAL CB C 18 34.509 34.509 33.124 1.385 17716 87 1 . 1 1 18 18 VAL H H 18 8.580 8.580 8.221 0.359 17716 88 1 . 1 1 19 19 HIS N N 19 128.371 128.371 121.898 6.473 17716 89 1 . 1 1 19 19 HIS HA H 19 5.006 5.006 5.051 -0.045 17716 90 1 . 1 1 19 19 HIS C C 19 174.302 174.302 173.369 0.933 17716 91 1 . 1 1 19 19 HIS CA C 19 54.590 54.590 54.226 0.364 17716 92 1 . 1 1 19 19 HIS CB C 19 33.087 33.087 31.882 1.205 17716 93 1 . 1 1 19 19 HIS H H 19 8.901 8.901 8.709 0.192 17716 94 1 . 1 1 20 20 VAL N N 20 123.150 123.150 121.335 1.815 17716 95 1 . 1 1 20 20 VAL HA H 20 4.446 4.446 4.548 -0.102 17716 96 1 . 1 1 20 20 VAL C C 20 176.045 176.045 173.630 2.415 17716 97 1 . 1 1 20 20 VAL CA C 20 61.508 61.508 60.356 1.152 17716 98 1 . 1 1 20 20 VAL CB C 20 32.614 32.614 33.511 -0.897 17716 99 1 . 1 1 20 20 VAL H H 20 9.351 9.351 7.835 1.516 17716 100 1 . 1 1 21 21 PHE N N 21 124.942 124.942 123.072 1.870 17716 101 1 . 1 1 21 21 PHE HA H 21 4.886 4.886 4.683 0.203 17716 102 1 . 1 1 21 21 PHE C C 21 178.613 178.613 177.726 0.887 17716 103 1 . 1 1 21 21 PHE CA C 21 58.718 58.718 57.220 1.498 17716 104 1 . 1 1 21 21 PHE CB C 21 40.669 40.669 40.036 0.633 17716 105 1 . 1 1 21 21 PHE H H 21 9.324 9.324 8.649 0.675 17716 106 1 . 1 1 22 22 LYS N N 22 122.104 122.104 120.592 1.512 17716 107 1 . 1 1 22 22 LYS HA H 22 3.939 3.939 4.169 -0.230 17716 108 1 . 1 1 22 22 LYS C C 22 175.969 175.969 176.663 -0.694 17716 109 1 . 1 1 22 22 LYS CA C 22 59.864 59.864 58.718 1.146 17716 110 1 . 1 1 22 22 LYS CB C 22 32.614 32.614 32.075 0.539 17716 111 1 . 1 1 22 22 LYS H H 22 8.411 8.411 8.827 -0.416 17716 112 1 . 1 1 23 23 ASP N N 23 114.797 114.797 117.166 -2.369 17716 113 1 . 1 1 23 23 ASP HA H 23 4.489 4.489 4.636 -0.147 17716 114 1 . 1 1 23 23 ASP C C 23 176.794 176.794 176.791 0.003 17716 115 1 . 1 1 23 23 ASP CA C 23 53.405 53.405 53.831 -0.426 17716 116 1 . 1 1 23 23 ASP CB C 23 39.642 39.642 40.154 -0.512 17716 117 1 . 1 1 23 23 ASP H H 23 8.006 8.006 8.112 -0.106 17716 118 1 . 1 1 24 24 GLY N N 24 109.105 109.105 107.761 1.344 17716 119 1 . 1 1 24 24 GLY C C 24 173.844 173.844 174.288 -0.444 17716 120 1 . 1 1 24 24 GLY CA C 24 44.996 44.996 45.513 -0.517 17716 121 1 . 1 1 24 24 GLY H H 24 8.346 8.346 7.559 0.787 17716 122 1 . 1 1 25 25 LYS N N 25 117.557 117.557 120.407 -2.850 17716 123 1 . 1 1 25 25 LYS HA H 25 4.354 4.354 4.323 0.031 17716 124 1 . 1 1 25 25 LYS C C 25 175.862 175.862 176.462 -0.600 17716 125 1 . 1 1 25 25 LYS CA C 25 56.178 56.178 56.403 -0.225 17716 126 1 . 1 1 25 25 LYS CB C 25 33.640 33.640 33.115 0.525 17716 127 1 . 1 1 25 25 LYS H H 25 7.584 7.584 7.913 -0.329 17716 128 1 . 1 1 26 26 MET N N 26 116.628 116.628 120.216 -3.588 17716 129 1 . 1 1 26 26 MET HA H 26 5.995 5.995 4.526 1.469 17716 130 1 . 1 1 26 26 MET C C 26 175.724 175.724 176.360 -0.636 17716 131 1 . 1 1 26 26 MET CA C 26 55.469 55.469 56.459 -0.990 17716 132 1 . 1 1 26 26 MET CB C 26 36.562 36.562 34.548 2.014 17716 133 1 . 1 1 26 26 MET H H 26 8.599 8.599 8.704 -0.105 17716 134 1 . 1 1 27 27 GLY N N 27 104.570 104.570 105.689 -1.119 17716 135 1 . 1 1 27 27 GLY C C 27 183.552 183.552 172.779 10.773 17716 136 1 . 1 1 27 27 GLY CA C 27 44.461 44.461 44.935 -0.474 17716 137 1 . 1 1 27 27 GLY H H 27 9.063 9.063 8.258 0.805 17716 138 1 . 1 1 28 28 MET N N 28 119.860 119.860 124.463 -4.602 17716 139 1 . 1 1 28 28 MET HA H 28 5.302 5.302 4.633 0.669 17716 140 1 . 1 1 28 28 MET C C 28 173.431 173.431 174.599 -1.168 17716 141 1 . 1 1 28 28 MET CA C 28 52.106 52.106 54.539 -2.433 17716 142 1 . 1 1 28 28 MET CB C 28 31.508 31.508 33.276 -1.768 17716 143 1 . 1 1 28 28 MET H H 28 8.751 8.751 8.939 -0.188 17716 144 1 . 1 1 29 29 GLU N N 29 123.440 123.440 125.371 -1.931 17716 145 1 . 1 1 29 29 GLU HA H 29 5.007 5.007 4.749 0.258 17716 146 1 . 1 1 29 29 GLU C C 29 175.479 175.479 175.401 0.078 17716 147 1 . 1 1 29 29 GLU CA C 29 54.099 54.099 54.773 -0.674 17716 148 1 . 1 1 29 29 GLU CB C 29 34.430 34.430 31.693 2.737 17716 149 1 . 1 1 29 29 GLU H H 29 8.904 8.904 8.210 0.694 17716 150 1 . 1 1 30 30 ASN N N 30 123.219 123.219 124.951 -1.732 17716 151 1 . 1 1 30 30 ASN HA H 30 4.623 4.623 4.710 -0.087 17716 152 1 . 1 1 30 30 ASN C C 30 176.886 176.886 176.338 0.548 17716 153 1 . 1 1 30 30 ASN CA C 30 51.418 51.418 52.758 -1.340 17716 154 1 . 1 1 30 30 ASN CB C 30 39.168 39.168 39.666 -0.498 17716 155 1 . 1 1 30 30 ASN H H 30 9.339 9.339 8.539 0.800 17716 156 1 . 1 1 31 31 LYS N N 31 116.491 116.491 120.086 -3.595 17716 157 1 . 1 1 31 31 LYS HA H 31 3.942 3.942 4.154 -0.212 17716 158 1 . 1 1 31 31 LYS C C 31 175.663 175.663 176.470 -0.807 17716 159 1 . 1 1 31 31 LYS CA C 31 58.106 58.106 58.029 0.077 17716 160 1 . 1 1 31 31 LYS CB C 31 31.429 31.429 31.513 -0.084 17716 161 1 . 1 1 31 31 LYS H H 31 8.512 8.512 8.659 -0.147 17716 162 1 . 1 1 32 32 PHE N N 32 117.885 117.885 118.998 -1.113 17716 163 1 . 1 1 32 32 PHE HA H 32 4.755 4.755 4.496 0.259 17716 164 1 . 1 1 32 32 PHE C C 32 176.060 176.060 175.973 0.087 17716 165 1 . 1 1 32 32 PHE CA C 32 56.577 56.577 57.616 -1.039 17716 166 1 . 1 1 32 32 PHE CB C 32 38.852 38.852 38.613 0.239 17716 167 1 . 1 1 32 32 PHE H H 32 7.507 7.507 7.934 -0.427 17716 168 1 . 1 1 33 33 GLY N N 33 108.245 108.245 107.326 0.919 17716 169 1 . 1 1 33 33 GLY C C 33 173.828 173.828 173.919 -0.091 17716 170 1 . 1 1 33 33 GLY CA C 33 45.646 45.646 45.456 0.190 17716 171 1 . 1 1 33 33 GLY H H 33 8.062 8.062 7.828 0.234 17716 172 1 . 1 1 34 34 LYS N N 34 117.724 117.724 119.764 -2.040 17716 173 1 . 1 1 34 34 LYS HA H 34 4.642 4.642 4.611 0.031 17716 174 1 . 1 1 34 34 LYS C C 34 175.862 175.862 175.415 0.447 17716 175 1 . 1 1 34 34 LYS CA C 34 53.061 53.061 54.593 -1.532 17716 176 1 . 1 1 34 34 LYS CB C 34 34.193 34.193 35.049 -0.856 17716 177 1 . 1 1 34 34 LYS H H 34 7.561 7.561 7.982 -0.421 17716 178 1 . 1 1 35 35 SER N N 35 117.079 117.079 117.692 -0.613 17716 179 1 . 1 1 35 35 SER HA H 35 5.001 5.001 4.683 0.318 17716 180 1 . 1 1 35 35 SER C C 35 174.210 174.210 174.229 -0.019 17716 181 1 . 1 1 35 35 SER CA C 35 57.953 57.953 58.420 -0.467 17716 182 1 . 1 1 35 35 SER CB C 35 64.043 64.043 64.046 -0.003 17716 183 1 . 1 1 35 35 SER H H 35 8.588 8.588 8.560 0.028 17716 184 1 . 1 1 36 36 MET N N 36 117.966 117.966 123.558 -5.592 17716 185 1 . 1 1 36 36 MET HA H 36 4.765 4.765 4.554 0.211 17716 186 1 . 1 1 36 36 MET C C 36 173.461 173.461 174.876 -1.415 17716 187 1 . 1 1 36 36 MET CA C 36 54.055 54.055 53.900 0.155 17716 188 1 . 1 1 36 36 MET CB C 36 36.009 36.009 34.410 1.599 17716 189 1 . 1 1 36 36 MET H H 36 8.044 8.044 8.173 -0.129 17716 190 1 . 1 1 37 37 ASN N N 37 122.101 122.101 124.645 -2.544 17716 191 1 . 1 1 37 37 ASN HA H 37 4.695 4.695 4.606 0.089 17716 192 1 . 1 1 37 37 ASN C C 37 175.770 175.770 174.661 1.109 17716 193 1 . 1 1 37 37 ASN CA C 37 54.017 54.017 53.562 0.455 17716 194 1 . 1 1 37 37 ASN CB C 37 40.984 40.984 38.741 2.243 17716 195 1 . 1 1 37 37 ASN H H 37 8.753 8.753 8.705 0.048 17716 196 1 . 1 1 38 38 MET N N 38 122.627 122.627 126.961 -4.334 17716 197 1 . 1 1 38 38 MET HA H 38 4.623 4.623 4.890 -0.267 17716 198 1 . 1 1 38 38 MET CA C 38 54.093 54.093 52.540 1.553 17716 199 1 . 1 1 38 38 MET CB C 38 38.708 38.708 34.442 4.266 17716 200 1 . 1 1 38 38 MET H H 38 8.133 8.133 8.083 0.050 17716 201 1 . 1 1 39 39 PRO HA H 39 4.280 4.280 4.419 -0.139 17716 202 1 . 1 1 39 39 PRO C C 39 175.831 175.831 176.468 -0.637 17716 203 1 . 1 1 39 39 PRO CA C 39 62.654 62.654 62.611 0.043 17716 204 1 . 1 1 39 39 PRO CB C 39 32.456 32.456 32.362 0.094 17716 205 1 . 1 1 40 40 GLU N N 40 120.437 120.437 123.058 -2.621 17716 206 1 . 1 1 40 40 GLU HA H 40 3.696 3.696 4.191 -0.495 17716 207 1 . 1 1 40 40 GLU C C 40 177.757 177.757 177.199 0.558 17716 208 1 . 1 1 40 40 GLU CA C 40 57.800 57.800 57.109 0.691 17716 209 1 . 1 1 40 40 GLU CB C 40 30.008 30.008 29.033 0.975 17716 210 1 . 1 1 40 40 GLU H H 40 8.322 8.322 8.621 -0.299 17716 211 1 . 1 1 41 41 GLY N N 41 112.092 112.092 113.746 -1.654 17716 212 1 . 1 1 41 41 GLY C C 41 173.935 173.935 174.542 -0.606 17716 213 1 . 1 1 41 41 GLY CA C 41 44.805 44.805 44.952 -0.147 17716 214 1 . 1 1 41 41 GLY H H 41 9.188 9.188 8.480 0.708 17716 215 1 . 1 1 42 42 LYS N N 42 120.325 120.325 123.833 -3.507 17716 216 1 . 1 1 42 42 LYS HA H 42 4.248 4.248 4.279 -0.031 17716 217 1 . 1 1 42 42 LYS C C 42 175.755 175.755 176.538 -0.783 17716 218 1 . 1 1 42 42 LYS CA C 42 55.698 55.698 55.847 -0.149 17716 219 1 . 1 1 42 42 LYS CB C 42 32.851 32.851 31.623 1.228 17716 220 1 . 1 1 42 42 LYS H H 42 6.967 6.967 7.718 -0.751 17716 221 1 . 1 1 43 43 VAL N N 43 124.724 124.724 123.977 0.747 17716 222 1 . 1 1 43 43 VAL HA H 43 3.977 3.977 3.733 0.244 17716 223 1 . 1 1 43 43 VAL C C 43 175.770 175.770 175.940 -0.170 17716 224 1 . 1 1 43 43 VAL CA C 43 63.610 63.610 64.047 -0.437 17716 225 1 . 1 1 43 43 VAL CB C 43 31.982 31.982 31.571 0.411 17716 226 1 . 1 1 43 43 VAL H H 43 8.572 8.572 8.252 0.320 17716 227 1 . 1 1 44 44 MET N N 44 127.278 127.278 127.439 -0.161 17716 228 1 . 1 1 44 44 MET HA H 44 4.545 4.545 4.787 -0.242 17716 229 1 . 1 1 44 44 MET C C 44 173.522 173.522 174.799 -1.277 17716 230 1 . 1 1 44 44 MET CA C 44 53.558 53.558 54.585 -1.027 17716 231 1 . 1 1 44 44 MET CB C 44 34.351 34.351 35.210 -0.859 17716 232 1 . 1 1 44 44 MET H H 44 8.963 8.963 8.682 0.281 17716 233 1 . 1 1 45 45 GLU N N 45 122.374 122.374 123.215 -0.841 17716 234 1 . 1 1 45 45 GLU HA H 45 5.109 5.109 5.224 -0.115 17716 235 1 . 1 1 45 45 GLU C C 45 176.320 176.320 176.522 -0.202 17716 236 1 . 1 1 45 45 GLU CA C 45 54.743 54.743 53.691 1.052 17716 237 1 . 1 1 45 45 GLU CB C 45 31.982 31.982 32.627 -0.645 17716 238 1 . 1 1 45 45 GLU H H 45 8.668 8.668 8.717 -0.049 17716 239 1 . 1 1 46 46 THR N N 46 116.696 116.696 117.833 -1.137 17716 240 1 . 1 1 46 46 THR HA H 46 4.757 4.757 4.917 -0.160 17716 241 1 . 1 1 46 46 THR C C 46 176.657 176.657 176.563 0.094 17716 242 1 . 1 1 46 46 THR CA C 46 61.317 61.317 61.043 0.274 17716 243 1 . 1 1 46 46 THR CB C 46 70.203 70.203 70.686 -0.483 17716 244 1 . 1 1 46 46 THR H H 46 9.083 9.083 8.279 0.804 17716 245 1 . 1 1 47 47 ARG N N 47 119.546 119.546 121.510 -1.964 17716 246 1 . 1 1 47 47 ARG HA H 47 4.016 4.016 4.092 -0.076 17716 247 1 . 1 1 47 47 ARG C C 47 176.519 176.519 177.472 -0.953 17716 248 1 . 1 1 47 47 ARG CA C 47 59.291 59.291 59.149 0.142 17716 249 1 . 1 1 47 47 ARG CB C 47 29.692 29.692 29.874 -0.182 17716 250 1 . 1 1 47 47 ARG H H 47 8.580 8.580 8.418 0.162 17716 251 1 . 1 1 48 48 ASP N N 48 114.579 114.579 116.498 -1.919 17716 252 1 . 1 1 48 48 ASP HA H 48 4.709 4.709 4.574 0.135 17716 253 1 . 1 1 48 48 ASP C C 48 176.519 176.519 176.888 -0.369 17716 254 1 . 1 1 48 48 ASP CA C 48 53.443 53.443 54.070 -0.627 17716 255 1 . 1 1 48 48 ASP CB C 48 40.432 40.432 40.468 -0.036 17716 256 1 . 1 1 48 48 ASP H H 48 7.884 7.884 8.166 -0.282 17716 257 1 . 1 1 49 49 GLY N N 49 107.958 107.958 108.331 -0.373 17716 258 1 . 1 1 49 49 GLY C C 49 174.547 174.547 174.398 0.149 17716 259 1 . 1 1 49 49 GLY CA C 49 45.264 45.264 45.189 0.075 17716 260 1 . 1 1 49 49 GLY H H 49 7.838 7.838 7.881 -0.043 17716 261 1 . 1 1 50 50 THR N N 50 118.527 118.527 117.468 1.059 17716 262 1 . 1 1 50 50 THR HA H 50 4.100 4.100 4.328 -0.228 17716 263 1 . 1 1 50 50 THR C C 50 173.339 173.339 173.705 -0.366 17716 264 1 . 1 1 50 50 THR CA C 50 63.381 63.381 62.232 1.149 17716 265 1 . 1 1 50 50 THR CB C 50 68.781 68.781 69.746 -0.965 17716 266 1 . 1 1 50 50 THR H H 50 7.783 7.783 8.181 -0.398 17716 267 1 . 1 1 51 51 LYS N N 51 125.284 125.284 129.939 -4.655 17716 268 1 . 1 1 51 51 LYS HA H 51 5.071 5.071 4.484 0.587 17716 269 1 . 1 1 51 51 LYS C C 51 176.137 176.137 175.987 0.150 17716 270 1 . 1 1 51 51 LYS CA C 51 55.087 55.087 56.242 -1.155 17716 271 1 . 1 1 51 51 LYS CB C 51 33.324 33.324 32.752 0.572 17716 272 1 . 1 1 51 51 LYS H H 51 8.569 8.569 8.641 -0.072 17716 273 1 . 1 1 52 52 ILE N N 52 123.781 123.781 123.891 -0.110 17716 274 1 . 1 1 52 52 ILE HA H 52 4.172 4.172 4.454 -0.282 17716 275 1 . 1 1 52 52 ILE C C 52 174.730 174.730 174.482 0.248 17716 276 1 . 1 1 52 52 ILE CA C 52 59.559 59.559 59.573 -0.014 17716 277 1 . 1 1 52 52 ILE CB C 52 41.853 41.853 40.142 1.712 17716 278 1 . 1 1 52 52 ILE H H 52 8.887 8.887 8.660 0.227 17716 279 1 . 1 1 53 53 ILE N N 53 128.421 128.421 125.327 3.094 17716 280 1 . 1 1 53 53 ILE HA H 53 4.081 4.081 4.290 -0.209 17716 281 1 . 1 1 53 53 ILE C C 53 176.412 176.412 175.848 0.564 17716 282 1 . 1 1 53 53 ILE CA C 53 60.476 60.476 59.877 0.599 17716 283 1 . 1 1 53 53 ILE CB C 53 37.431 37.431 39.192 -1.761 17716 284 1 . 1 1 53 53 ILE H H 53 8.567 8.567 8.544 0.023 17716 285 1 . 1 1 54 54 MET N N 54 126.582 126.582 127.163 -0.581 17716 286 1 . 1 1 54 54 MET HA H 54 4.282 4.282 4.312 -0.030 17716 287 1 . 1 1 54 54 MET C C 54 174.547 174.547 175.616 -1.069 17716 288 1 . 1 1 54 54 MET CA C 54 56.424 56.424 55.037 1.387 17716 289 1 . 1 1 54 54 MET CB C 54 31.587 31.587 30.546 1.041 17716 290 1 . 1 1 54 54 MET H H 54 8.886 8.886 8.772 0.114 17716 291 1 . 1 1 55 55 LYS N N 55 106.838 106.838 126.760 -19.922 17716 292 1 . 1 1 55 55 LYS HA H 55 4.704 4.704 4.223 0.481 17716 293 1 . 1 1 55 55 LYS C C 55 175.051 175.051 177.903 -2.852 17716 294 1 . 1 1 55 55 LYS CA C 55 55.431 55.431 58.581 -3.150 17716 295 1 . 1 1 55 55 LYS CB C 55 34.193 34.193 32.549 1.644 17716 296 1 . 1 1 55 55 LYS H H 55 8.559 8.559 8.265 0.294 17716 297 1 . 1 1 56 56 GLY N N 56 113.486 113.486 107.072 6.414 17716 298 1 . 1 1 56 56 GLY C C 56 181.029 181.029 174.076 6.953 17716 299 1 . 1 1 56 56 GLY CA C 56 44.461 44.461 44.730 -0.269 17716 300 1 . 1 1 56 56 GLY H H 56 9.317 9.317 8.537 0.780 17716 301 1 . 1 1 57 57 ASN N N 57 112.557 112.557 119.270 -6.713 17716 302 1 . 1 1 57 57 ASN HA H 57 4.730 4.730 4.550 0.180 17716 303 1 . 1 1 57 57 ASN C C 57 177.023 177.023 175.888 1.135 17716 304 1 . 1 1 57 57 ASN CA C 57 53.978 53.978 54.099 -0.121 17716 305 1 . 1 1 57 57 ASN CB C 57 37.273 37.273 38.948 -1.675 17716 306 1 . 1 1 57 57 ASN H H 57 8.732 8.732 8.200 0.532 17716 307 1 . 1 1 58 58 GLU N N 58 123.440 123.440 120.399 3.041 17716 308 1 . 1 1 58 58 GLU HA H 58 4.374 4.374 4.475 -0.101 17716 309 1 . 1 1 58 58 GLU C C 58 176.244 176.244 177.102 -0.858 17716 310 1 . 1 1 58 58 GLU CA C 58 54.743 54.743 55.343 -0.600 17716 311 1 . 1 1 58 58 GLU CB C 58 27.797 27.797 27.617 0.180 17716 312 1 . 1 1 58 58 GLU H H 58 9.124 9.124 8.377 0.747 17716 313 1 . 1 1 59 59 ILE N N 59 120.912 120.912 118.764 2.148 17716 314 1 . 1 1 59 59 ILE HA H 59 3.627 3.627 3.914 -0.287 17716 315 1 . 1 1 59 59 ILE C C 59 177.360 177.360 176.884 0.476 17716 316 1 . 1 1 59 59 ILE CA C 59 64.833 64.833 63.835 0.998 17716 317 1 . 1 1 59 59 ILE CB C 59 37.826 37.826 37.709 0.117 17716 318 1 . 1 1 59 59 ILE H H 59 7.703 7.703 7.773 -0.070 17716 319 1 . 1 1 60 60 PHE N N 60 119.669 119.669 120.241 -0.572 17716 320 1 . 1 1 60 60 PHE HA H 60 4.483 4.483 4.285 0.198 17716 321 1 . 1 1 60 60 PHE C C 60 178.889 178.889 176.977 1.912 17716 322 1 . 1 1 60 60 PHE CA C 60 60.514 60.514 60.817 -0.303 17716 323 1 . 1 1 60 60 PHE CB C 60 38.063 38.063 38.471 -0.408 17716 324 1 . 1 1 60 60 PHE H H 60 7.934 7.934 7.993 -0.059 17716 325 1 . 1 1 61 61 ARG N N 61 119.587 119.587 118.459 1.129 17716 326 1 . 1 1 61 61 ARG HA H 61 4.037 4.037 3.920 0.117 17716 327 1 . 1 1 61 61 ARG C C 61 180.051 180.051 178.079 1.972 17716 328 1 . 1 1 61 61 ARG CA C 61 58.832 58.832 58.154 0.678 17716 329 1 . 1 1 61 61 ARG CB C 61 31.597 31.597 29.168 2.429 17716 330 1 . 1 1 61 61 ARG H H 61 8.133 8.133 7.696 0.437 17716 331 1 . 1 1 62 62 LEU N N 62 121.008 121.008 119.157 1.851 17716 332 1 . 1 1 62 62 LEU CA C 62 57.227 57.227 57.313 -0.086 17716 333 1 . 1 1 62 62 LEU CB C 62 41.236 41.236 42.177 -0.941 17716 334 1 . 1 1 62 62 LEU H H 62 8.517 8.517 7.958 0.559 17716 335 1 . 1 1 70 70 HIS C C 70 177.253 177.253 174.392 2.861 17716 336 1 . 1 1 71 71 SER N N 71 121.301 121.301 115.817 5.484 17716 337 1 . 1 1 71 71 SER C C 71 173.461 173.461 174.255 -0.794 17716 338 1 . 1 1 71 71 SER CA C 71 58.259 58.259 58.535 -0.276 17716 339 1 . 1 1 71 71 SER H H 71 8.652 8.652 8.147 0.505 17716 340 1 . 1 1 72 72 GLU N N 72 122.601 122.601 123.078 -0.477 17716 341 1 . 1 1 72 72 GLU C C 72 176.916 176.916 176.618 0.298 17716 342 1 . 1 1 72 72 GLU CA C 72 54.781 54.781 56.903 -2.121 17716 343 1 . 1 1 72 72 GLU CB C 72 30.008 30.008 29.710 0.298 17716 344 1 . 1 1 72 72 GLU H H 72 8.705 8.705 8.502 0.203 17716 345 1 . 1 1 73 73 GLY N N 73 110.370 110.370 109.697 0.673 17716 346 1 . 1 1 73 73 GLY C C 73 173.736 173.736 174.219 -0.483 17716 347 1 . 1 1 73 73 GLY CA C 73 45.264 45.264 45.215 0.050 17716 348 1 . 1 1 73 73 GLY H H 73 8.441 8.441 8.297 0.144 17716 stop_ save_